#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fey s ARG 3 N 0.00 4.48 -0.06 1.43 0.52 -1.26 -5.04 118.95 119.02 3fey s ARG 3 Ca 0.00 1.98 0.01 0.00 -0.52 0.00 0.00 55.73 57.20 3fey s ARG 3 Cb 0.00 -3.17 0.02 0.00 0.52 0.00 0.00 34.95 32.32 3fey s ARG 3 CO 0.00 -0.07 -0.06 1.03 0.02 0.00 0.00 175.30 176.22 3fey s ARG 4 N -0.91 1.08 0.68 3.54 0.52 -1.26 -5.15 118.95 117.46 3fey s ARG 4 Ca 0.50 -0.17 -0.13 0.00 -0.52 0.00 0.00 55.73 55.41 3fey s ARG 4 Cb -0.35 -1.05 0.01 0.00 0.52 0.00 0.00 34.95 34.08 3fey s ARG 4 CO 0.42 -0.09 1.08 1.03 0.02 0.00 0.00 175.30 177.76 3fey s ARG 5 N 1.03 2.79 0.30 3.54 0.52 -1.26 -4.97 118.95 120.90 3fey s ARG 5 Ca -0.09 1.20 -0.29 0.00 -0.52 0.00 0.00 55.73 56.03 3fey s ARG 5 Cb -0.14 -1.96 -0.13 0.00 0.52 0.00 0.00 34.95 33.24 3fey s ARG 5 CO -0.00 -1.24 1.30 -2.39 0.02 0.00 0.00 175.30 172.99 3fey n HIS 6 N -2.78 2.13 -4.61 -0.53 1.44 -1.26 -5.00 115.22 104.61 3fey n HIS 6 Ca 0.09 0.53 -0.28 0.00 -2.01 0.00 0.00 57.72 56.05 3fey n HIS 6 Cb 0.53 -2.41 -0.10 0.00 0.12 0.00 0.00 29.99 28.12 3fey n HIS 6 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 3fey s SER 7 N -0.14 3.94 -0.82 4.39 1.04 -1.26 -4.61 113.70 116.24 3fey s SER 7 Ca 0.60 -1.39 -0.02 0.00 0.48 0.00 0.00 55.95 55.62 3fey s SER 7 Cb -0.61 -0.29 -0.02 0.00 0.10 0.00 0.00 66.02 65.20 3fey s SER 7 CO 0.58 -0.51 0.70 0.47 0.98 0.00 0.00 173.24 175.46 3fey n ASP 8 N -1.02 -3.48 -4.12 7.02 8.00 -1.26 -4.62 116.55 117.07 3fey n ASP 8 Ca -0.07 -0.48 -0.29 0.00 0.71 0.00 0.00 54.79 54.67 3fey n ASP 8 Cb 0.67 -3.87 -0.11 0.00 -0.02 0.00 0.00 41.12 37.79 3fey n ASP 8 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3fey n GLU 9 N -3.04 0.33 -3.71 -1.24 2.13 -1.26 -4.86 120.64 108.99 3fey n GLU 9 Ca -0.14 -1.55 -0.20 0.00 0.66 0.00 0.00 57.16 55.93 3fey n GLU 9 Cb 0.61 -3.33 -0.02 0.00 0.27 0.00 0.00 31.44 28.97 3fey n GLU 9 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3fey s ASN 10 N 7.51 5.89 -0.14 4.31 3.84 -1.26 -5.03 114.94 130.05 3fey s ASN 10 Ca 0.74 -0.19 0.16 0.00 0.21 0.00 0.00 52.86 53.78 3fey s ASN 10 Cb 0.04 -1.35 0.61 0.00 -0.55 0.00 0.00 41.25 40.00 3fey s ASN 10 CO 0.24 -0.30 1.52 -0.90 -2.79 0.00 0.00 177.10 174.87 3fey n ASP 11 N -1.50 4.37 0.00 -4.21 5.75 -1.26 -4.90 116.55 114.80 3fey n ASP 11 Ca -0.03 -2.67 0.00 0.00 -0.01 0.00 0.00 54.79 52.08 3fey n ASP 11 Cb 0.58 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 3fey n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fey n GLY 12 N 0.37 2.09 1.66 6.12 0.00 -1.26 -4.74 105.19 109.43 3fey n GLY 12 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3fey n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fey n GLY 13 N -0.14 0.54 3.76 -0.02 0.00 -1.26 -5.04 105.19 103.03 3fey n GLY 13 Ca 0.00 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 3fey n GLY 13 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fey s GLN 14 N -2.27 3.68 0.25 1.61 -1.52 -1.26 -4.94 119.66 115.21 3fey s GLN 14 Ca 0.00 2.03 -0.29 0.00 -1.95 0.00 0.00 55.36 55.15 3fey s GLN 14 Cb 0.00 -2.50 -0.15 0.00 -0.22 0.00 0.00 33.01 30.14 3fey s GLN 14 CO 0.00 -0.69 0.91 -2.30 -0.25 0.00 0.00 175.29 172.96 3fey n PRO 15 N -0.39 0.97 0.09 2.91 -0.02 -1.26 -4.88 135.00 132.41 3fey n PRO 15 Ca 0.07 0.34 0.06 0.00 -2.02 0.00 0.00 63.50 61.95 3fey n PRO 15 Cb 0.46 -1.64 -0.02 0.00 -0.02 0.00 0.00 33.50 32.28 3fey n PRO 15 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3fey h HIS 16 N 1.93 0.00 -3.38 6.00 3.86 -2.06 -3.47 115.15 118.02 3fey h HIS 16 Ca -0.37 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 58.74 3fey h HIS 16 Cb 1.37 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 29.66 3fey h HIS 16 CO 0.47 0.26 -0.31 0.15 0.86 0.00 0.00 177.93 179.36 3fey s LYS 17 N -3.15 0.75 -0.02 2.45 1.02 -1.26 -5.17 119.74 114.35 3fey s LYS 17 Ca -0.00 -0.53 0.03 0.00 0.02 0.00 0.00 55.97 55.48 3fey s LYS 17 Cb 0.09 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.72 3fey s LYS 17 CO 0.79 -0.23 -0.09 1.03 -0.92 0.00 0.00 175.35 175.93 3fey s ARG 18 N -2.44 0.96 -0.14 1.68 0.52 -1.26 -5.14 118.95 113.14 3fey s ARG 18 Ca -0.06 -0.31 -0.07 0.00 -0.52 0.00 0.00 55.73 54.77 3fey s ARG 18 Cb -0.01 -0.90 -0.04 0.00 0.52 0.00 0.00 34.95 34.52 3fey s ARG 18 CO -0.03 0.12 0.12 0.50 0.02 0.00 0.00 175.30 176.03 3fey s ARG 19 N 0.17 3.58 -0.25 3.54 3.52 -1.26 -5.06 118.95 123.18 3fey s ARG 19 Ca -0.03 -0.19 -0.18 0.00 -0.13 0.00 0.00 55.73 55.20 3fey s ARG 19 Cb -0.08 -3.19 -0.03 0.00 -1.56 0.00 0.00 34.95 30.09 3fey s ARG 19 CO 0.00 0.64 0.52 0.21 -0.81 0.00 0.00 175.30 175.87 3fey s LYS 20 N -0.64 4.09 -0.00 5.12 2.20 -1.26 -4.89 119.74 124.37 3fey s LYS 20 Ca 0.13 0.35 0.01 0.00 -0.36 0.00 0.00 55.97 56.09 3fey s LYS 20 Cb -0.12 -3.63 -0.01 0.00 -1.51 0.00 0.00 37.83 32.56 3fey s LYS 20 CO 0.02 -0.32 0.02 -2.37 -0.36 0.00 0.00 175.35 172.35 3fey n THR 21 N 5.04 0.00 -3.95 3.43 5.66 -1.26 -5.05 114.28 118.15 3fey n THR 21 Ca -0.04 -0.23 -0.11 0.00 -3.05 0.00 0.00 64.05 60.62 3fey n THR 21 Cb 0.50 0.72 -0.02 0.00 -1.55 0.00 0.00 70.33 69.98 3fey n THR 21 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3fey s SER 22 N -1.61 0.32 -0.15 1.09 1.04 -1.26 -5.17 113.70 107.97 3fey s SER 22 Ca -0.00 -1.20 -0.07 0.00 0.48 0.00 0.00 55.95 55.16 3fey s SER 22 Cb 0.00 0.73 0.06 0.00 0.10 0.00 0.00 66.02 66.91 3fey s SER 22 CO 0.03 -1.42 0.34 -0.62 0.98 0.00 0.00 173.24 172.54 3fey s ASP 23 N -3.11 -0.28 0.12 7.02 -1.08 -1.26 -5.05 116.67 113.03 3fey s ASP 23 Ca 0.22 0.74 -0.15 0.00 -0.52 0.00 0.00 52.55 52.84 3fey s ASP 23 Cb -0.03 0.72 -0.02 0.00 -1.46 0.00 0.00 42.92 42.13 3fey s ASP 23 CO 0.14 -0.20 1.58 0.00 0.52 0.00 0.00 175.17 177.22 3fey h ALA 24 N 7.44 0.52 0.20 3.66 0.00 -2.02 -2.37 119.26 126.70 3fey h ALA 24 Ca -0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 3fey h ALA 24 Cb 1.16 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3fey h ALA 24 CO 0.28 0.28 -0.10 -0.91 0.00 0.00 0.00 179.25 178.80 3fey h ASN 25 N 0.51 -0.23 -0.77 0.00 2.35 -1.98 -0.76 115.58 114.70 3fey h ASN 25 Ca 0.11 -0.10 0.10 0.00 -0.55 0.00 0.00 56.30 55.87 3fey h ASN 25 Cb 0.43 0.06 -0.08 0.00 0.05 0.00 0.00 38.32 38.79 3fey h ASN 25 CO 0.02 -0.04 0.40 -0.08 -1.65 0.00 0.00 177.43 176.08 3fey h GLU 26 N -0.40 0.63 -0.57 0.81 4.81 -1.99 0.29 114.58 118.16 3fey h GLU 26 Ca -0.03 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 3fey h GLU 26 Cb 0.31 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3fey h GLU 26 CO 0.04 0.42 0.16 1.15 -0.73 0.00 0.00 179.01 180.05 3fey h THR 27 N 0.65 1.24 -0.48 0.32 2.02 -1.24 -1.28 112.91 114.15 3fey h THR 27 Ca 0.39 -0.85 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 3fey h THR 27 Cb 0.43 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 3fey h THR 27 CO -0.28 0.32 0.03 -0.33 0.37 0.00 0.00 175.52 175.63 3fey h GLU 28 N 0.82 0.82 -0.89 6.66 5.08 0.45 0.08 114.58 127.59 3fey h GLU 28 Ca 0.18 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3fey h GLU 28 Cb 0.32 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 3fey h GLU 28 CO -0.00 0.85 0.57 -0.44 -1.00 0.00 0.00 179.01 178.99 3fey h ASP 29 N 0.68 1.04 -0.36 1.42 5.19 -0.42 -0.06 116.42 123.91 3fey h ASP 29 Ca 0.14 -0.04 -0.05 0.00 -0.62 0.00 0.00 57.03 56.46 3fey h ASP 29 Cb 0.46 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 3fey h ASP 29 CO 0.02 0.77 0.04 -0.74 -3.12 0.00 0.00 179.24 176.21 3fey h HIS 30 N 1.22 0.65 -0.50 4.55 2.76 -0.85 -0.35 115.15 122.63 3fey h HIS 30 Ca 0.32 -0.10 0.03 0.00 -2.20 0.00 0.00 60.37 58.42 3fey h HIS 30 Cb -0.11 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 28.64 3fey h HIS 30 CO -0.01 0.68 0.29 -0.07 -1.30 0.00 0.00 177.93 177.52 3fey h LEU 31 N 0.44 0.46 -0.71 0.26 3.38 -0.74 -0.62 115.31 117.77 3fey h LEU 31 Ca 0.11 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3fey h LEU 31 Cb 0.39 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3fey h LEU 31 CO 0.01 0.32 0.44 -0.08 0.09 0.00 0.00 178.44 179.22 3fey h GLU 32 N 0.57 0.96 -0.38 1.13 4.81 -0.74 -0.85 114.58 120.08 3fey h GLU 32 Ca 0.20 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3fey h GLU 32 Cb 0.04 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 3fey h GLU 32 CO -0.10 0.67 0.25 1.03 -0.73 0.00 0.00 179.01 180.13 3fey h SER 33 N 0.97 0.45 -0.63 1.04 0.87 -0.75 -0.64 113.55 114.86 3fey h SER 33 Ca 0.26 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 3fey h SER 33 Cb -0.04 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 3fey h SER 33 CO -0.05 0.34 0.32 -0.07 -0.53 0.00 0.00 176.83 176.84 3fey h LEU 34 N 0.52 0.80 -0.35 2.23 3.38 -0.67 -1.88 115.31 119.34 3fey h LEU 34 Ca 0.14 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3fey h LEU 34 Cb -0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3fey h LEU 34 CO -0.03 0.68 0.04 0.40 0.09 0.00 0.00 178.44 179.63 3fey h ILE 35 N 0.85 1.24 0.00 1.22 2.04 -0.99 -2.78 117.51 119.10 3fey h ILE 35 Ca 0.22 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 3fey h ILE 35 Cb 0.08 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3fey h ILE 35 CO -0.03 0.29 -0.15 0.00 0.00 0.00 0.00 178.15 178.26 3fey n LYS 37 N -3.55 0.62 -2.14 0.00 5.02 -0.72 -4.91 118.16 112.47 3fey n LYS 37 Ca -0.01 -0.11 -0.40 0.00 -2.02 0.00 0.00 58.31 55.76 3fey n LYS 37 Cb 0.29 -1.43 -0.02 0.00 -0.02 0.00 0.00 35.03 33.86 3fey n LYS 37 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3fey s VAL 38 N -2.79 2.79 0.00 -0.18 0.11 -1.06 -1.82 120.40 117.44 3fey s VAL 38 Ca 0.09 0.76 0.00 0.00 -2.93 0.00 0.00 61.98 59.90 3fey s VAL 38 Cb 0.15 -3.47 0.00 0.00 -1.53 0.00 0.00 36.38 31.53 3fey s VAL 38 CO 0.77 0.16 0.00 0.61 -3.33 0.00 0.00 175.10 173.31 3fey n GLY 39 N 0.78 3.42 3.76 6.54 0.00 -1.26 -5.06 105.19 113.37 3fey n GLY 39 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3fey n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fey s GLU 40 N -0.90 0.92 0.30 1.61 2.02 -0.76 -4.93 118.70 116.97 3fey s GLU 40 Ca 0.00 0.33 -0.30 0.00 0.02 0.00 0.00 54.97 55.03 3fey s GLU 40 Cb 0.00 -1.81 -0.12 0.00 0.10 0.00 0.00 34.13 32.30 3fey s GLU 40 CO 0.00 -2.36 1.47 0.36 0.02 0.00 0.00 175.26 174.75 3fey n LYS 41 N -3.88 2.40 -3.77 1.61 -0.00 -1.26 -4.98 118.16 108.28 3fey n LYS 41 Ca 0.06 0.85 -0.12 0.00 -0.00 0.00 0.00 58.31 59.10 3fey n LYS 41 Cb 0.59 -2.55 -0.08 0.00 -0.00 0.00 0.00 35.03 32.99 3fey n LYS 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3fey s SER 42 N 0.17 -0.14 0.52 -5.58 0.15 -1.26 -4.99 113.70 102.56 3fey s SER 42 Ca 0.62 -0.04 0.34 0.00 0.70 0.00 0.00 55.95 57.57 3fey s SER 42 Cb -0.55 0.31 1.54 0.00 -1.71 0.00 0.00 66.02 65.61 3fey s SER 42 CO 0.54 -0.49 2.01 0.00 1.20 0.00 0.00 173.24 176.50 3fey h ALA 43 N 3.69 1.00 -2.80 5.45 0.00 -2.06 -3.43 119.26 121.11 3fey h ALA 43 Ca -0.30 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.02 3fey h ALA 43 Cb 1.18 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 3fey h ALA 43 CO 0.42 0.00 -0.55 0.00 0.00 0.00 0.00 179.25 179.12 3fey s SER 45 N -2.92 4.54 0.19 0.00 1.04 -1.26 -4.82 113.70 110.47 3fey s SER 45 Ca 0.31 2.32 -0.15 0.00 0.48 0.00 0.00 55.95 58.92 3fey s SER 45 Cb -0.11 -2.59 0.18 0.00 0.10 0.00 0.00 66.02 63.61 3fey s SER 45 CO 0.24 -2.03 1.65 0.25 0.98 0.00 0.00 173.24 174.33 3fey h LEU 46 N 0.01 -0.44 -0.82 2.42 5.85 -1.95 -0.99 115.31 119.39 3fey h LEU 46 Ca -0.48 0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.42 3fey h LEU 46 Cb 1.29 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 42.58 3fey h LEU 46 CO 0.51 -0.16 0.53 1.05 -0.34 0.00 0.00 178.44 180.03 3fey h GLU 47 N 0.02 1.01 -0.15 1.25 9.09 -1.95 0.98 114.58 124.82 3fey h GLU 47 Ca 0.26 -0.06 0.01 0.00 0.05 0.00 0.00 59.36 59.61 3fey h GLU 47 Cb 0.39 -0.23 -0.01 0.00 -1.65 0.00 0.00 28.75 27.26 3fey h GLU 47 CO -0.53 0.67 0.07 1.03 0.05 0.00 0.00 179.01 180.30 3fey h SER 48 N 1.04 0.11 0.24 3.06 0.87 -1.80 -2.21 113.55 114.86 3fey h SER 48 Ca 0.32 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.83 3fey h SER 48 Cb -0.02 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3fey h SER 48 CO -0.10 0.09 -0.25 0.78 -0.53 0.00 0.00 176.83 176.81 3fey h ASN 49 N 0.16 0.02 -0.22 6.23 -0.26 -0.26 -2.19 115.58 119.07 3fey h ASN 49 Ca 0.06 -0.01 -0.16 0.00 -0.56 0.00 0.00 56.30 55.63 3fey h ASN 49 Cb 0.01 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.27 3fey h ASN 49 CO -0.04 0.27 -0.50 -0.07 -1.06 0.00 0.00 177.43 176.03 3fey h LEU 50 N 0.02 0.82 -0.15 1.61 3.38 -0.56 -1.30 115.31 119.14 3fey h LEU 50 Ca 0.00 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 3fey h LEU 50 Cb 0.46 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3fey h LEU 50 CO 0.03 1.23 0.06 -0.08 0.09 0.00 0.00 178.44 179.77 3fey h GLU 51 N 0.44 0.22 -0.19 1.13 4.81 -1.27 0.09 114.58 119.81 3fey h GLU 51 Ca -0.00 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 3fey h GLU 51 Cb 1.11 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.40 3fey h GLU 51 CO 0.11 0.30 -0.16 0.78 -0.73 0.00 0.00 179.01 179.30 3fey h GLY 52 N 0.09 -0.05 1.00 1.92 0.00 -1.42 -1.77 103.07 102.84 3fey h GLY 52 Ca 0.05 0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 3fey h GLY 52 CO -0.00 -0.16 0.27 -2.00 0.00 0.00 0.00 176.54 174.64 3fey h LEU 53 N -0.18 0.82 -1.59 3.11 5.85 -1.02 0.16 115.31 122.47 3fey h LEU 53 Ca 0.12 -0.15 0.12 0.00 0.84 0.00 0.00 57.88 58.81 3fey h LEU 53 Cb 0.35 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3fey h LEU 53 CO -0.30 0.74 0.46 0.00 -0.34 0.00 0.00 178.44 179.01 3fey h ALA 54 N 1.11 2.04 -0.14 1.25 0.00 -0.64 0.34 119.26 123.21 3fey h ALA 54 Ca 0.21 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 3fey h ALA 54 Cb 0.16 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.88 3fey h ALA 54 CO -0.02 -0.21 -0.62 0.78 0.00 0.00 0.00 179.25 179.18 3fey h GLY 55 N 0.44 0.74 0.97 0.00 0.00 -0.12 -0.53 103.07 104.57 3fey h GLY 55 Ca 0.33 -1.02 -0.10 0.00 0.00 0.00 0.00 47.33 46.54 3fey h GLY 55 CO -0.10 0.91 -0.15 -2.08 0.00 0.00 0.00 176.54 175.12 3fey h VAL 56 N 0.35 1.28 0.19 4.60 2.07 -0.55 -1.94 116.25 122.25 3fey h VAL 56 Ca -0.04 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 3fey h VAL 56 Cb 1.25 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3fey h VAL 56 CO 0.13 0.41 -0.09 -0.07 0.02 0.00 0.00 177.57 177.97 3fey h LEU 57 N 0.53 -0.21 -0.79 2.57 3.38 -0.99 -2.59 115.31 117.20 3fey h LEU 57 Ca 0.08 -0.16 0.18 0.00 0.09 0.00 0.00 57.88 58.08 3fey h LEU 57 Cb 0.68 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.37 3fey h LEU 57 CO 0.05 0.04 0.22 -0.08 0.09 0.00 0.00 178.44 178.75 3fey h GLU 58 N -0.46 0.28 0.00 1.13 4.81 -1.07 0.98 114.58 120.24 3fey h GLU 58 Ca -0.03 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3fey h GLU 58 Cb 0.36 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3fey h GLU 58 CO 0.04 0.18 0.00 0.00 -0.73 0.00 0.00 179.01 178.50 3fey n ALA 59 N -2.65 1.83 1.07 2.92 0.00 -0.73 -2.13 120.51 120.81 3fey n ALA 59 Ca 0.17 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.76 3fey n ALA 59 Cb 0.53 -1.38 0.14 0.00 0.00 0.00 0.00 19.45 18.74 3fey n ALA 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fey n ASP 60 N -2.07 2.65 -0.25 0.00 8.00 0.30 -4.55 116.55 120.62 3fey n ASP 60 Ca 0.03 -1.85 0.01 0.00 0.71 0.00 0.00 54.79 53.69 3fey n ASP 60 Cb 0.27 0.07 0.23 0.00 -0.02 0.00 0.00 41.12 41.66 3fey n ASP 60 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3fey h LEU 61 N 4.05 0.91 -2.01 0.64 3.38 -0.95 -1.91 115.31 119.42 3fey h LEU 61 Ca 0.00 -0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.07 3fey h LEU 61 Cb 0.90 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3fey h LEU 61 CO 0.00 0.64 0.31 1.55 0.09 0.00 0.00 178.44 181.03 3fey h PRO 62 N 1.06 0.00 0.00 1.13 0.13 -1.81 -2.56 132.00 129.96 3fey h PRO 62 Ca 0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.44 3fey h PRO 62 Cb -0.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.07 3fey h PRO 62 CO -0.08 0.00 -0.46 0.09 -0.23 0.00 0.00 178.00 177.32 3fey n ASN 63 N -4.36 1.53 -0.20 1.44 3.02 -1.02 -4.75 115.26 110.92 3fey n ASN 63 Ca 0.07 -0.38 0.01 0.00 -0.03 0.00 0.00 54.58 54.25 3fey n ASN 63 Cb 0.50 1.04 0.01 0.00 -0.61 0.00 0.00 39.78 40.73 3fey n ASN 63 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3fey n TYR 64 N -1.24 0.00 -0.26 3.10 4.01 -0.75 -4.84 117.16 117.17 3fey n TYR 64 Ca 0.00 -0.13 0.02 0.00 -0.16 0.00 0.00 57.90 57.63 3fey n TYR 64 Cb 0.05 -0.04 0.15 0.00 -0.31 0.00 0.00 39.34 39.19 3fey n TYR 64 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3fey h LYS 65 N 0.00 0.68 -0.26 -0.72 3.64 -1.60 0.29 116.57 118.60 3fey h LYS 65 Ca 0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3fey h LYS 65 Cb 1.11 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 3fey h LYS 65 CO 0.00 0.45 0.13 1.03 -2.27 0.00 0.00 179.45 178.79 3fey h SER 66 N 0.70 0.34 -0.15 4.20 0.87 -1.88 0.68 113.55 118.31 3fey h SER 66 Ca 0.36 -0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.83 3fey h SER 66 Cb 0.34 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 3fey h SER 66 CO -0.25 0.36 0.01 0.50 -0.53 0.00 0.00 176.83 176.93 3fey h LYS 67 N 0.29 0.07 -0.62 2.24 1.63 -1.79 -1.73 116.57 116.65 3fey h LYS 67 Ca 0.09 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 3fey h LYS 67 Cb 0.11 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 3fey h LYS 67 CO -0.01 0.04 0.37 0.82 -3.45 0.00 0.00 179.45 177.22 3fey h ILE 68 N 0.07 1.19 -0.51 2.00 2.04 0.04 0.89 117.51 123.22 3fey h ILE 68 Ca 0.07 -0.44 0.05 0.00 1.00 0.00 0.00 64.86 65.54 3fey h ILE 68 Cb 0.07 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.45 3fey h ILE 68 CO -0.11 0.20 0.24 0.25 0.00 0.00 0.00 178.15 178.73 3fey h LEU 69 N 0.85 0.33 0.33 1.44 5.85 -0.83 -1.80 115.31 121.47 3fey h LEU 69 Ca 0.22 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3fey h LEU 69 Cb -0.00 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3fey h LEU 69 CO -0.04 0.22 -0.37 -0.09 -0.34 0.00 0.00 178.44 177.82 3fey h ARG 70 N 0.47 -0.71 -1.00 1.25 2.43 -0.28 -1.72 114.38 114.82 3fey h ARG 70 Ca 0.23 0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.59 3fey h ARG 70 Cb 0.17 0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 29.79 3fey h ARG 70 CO -0.18 -0.48 0.62 -0.07 -1.51 0.00 0.00 179.97 178.36 3fey h LEU 71 N -0.74 0.87 -0.15 3.80 3.38 -0.69 -1.11 115.31 120.66 3fey h LEU 71 Ca -0.02 0.06 -0.22 0.00 0.09 0.00 0.00 57.88 57.79 3fey h LEU 71 Cb 0.68 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3fey h LEU 71 CO -0.09 0.42 -0.97 -0.07 0.09 0.00 0.00 178.44 177.82 3fey h LEU 72 N 0.91 0.31 -0.27 1.67 3.38 -1.12 -1.17 115.31 119.01 3fey h LEU 72 Ca 0.52 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 3fey h LEU 72 Cb 0.62 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3fey h LEU 72 CO -0.29 1.11 0.07 0.00 0.09 0.00 0.00 178.44 179.42 3fey h THR 74 N 0.27 0.90 -0.55 0.00 2.02 -1.09 -0.63 112.91 113.83 3fey h THR 74 Ca 0.09 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 3fey h THR 74 Cb 0.28 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 3fey h THR 74 CO 0.00 0.05 0.34 0.58 0.37 0.00 0.00 175.52 176.86 3fey h VAL 75 N 0.29 1.15 -0.34 3.16 2.07 -1.19 0.36 116.25 121.76 3fey h VAL 75 Ca 0.17 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.37 3fey h VAL 75 Cb 0.14 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3fey h VAL 75 CO -0.17 0.16 0.20 0.00 0.02 0.00 0.00 177.57 177.78 3fey h ALA 76 N 1.62 0.42 0.00 1.67 0.00 0.32 -1.22 119.26 122.06 3fey h ALA 76 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3fey h ALA 76 Cb -0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3fey h ALA 76 CO -0.04 -0.15 -1.03 2.89 0.00 0.00 0.00 179.25 180.92 3fey n ARG 77 N -4.89 0.61 -0.00 0.00 1.85 -0.55 -4.39 116.66 109.29 3fey n ARG 77 Ca -0.00 0.13 0.10 0.00 -1.00 0.00 0.00 57.85 57.07 3fey n ARG 77 Cb 0.05 -1.83 -0.12 0.00 -1.05 0.00 0.00 32.46 29.50 3fey n ARG 77 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 3fey n LEU 78 N -2.69 0.69 -2.84 2.89 4.77 0.12 -4.67 117.00 115.28 3fey n LEU 78 Ca -0.01 -0.37 -0.19 0.00 -0.03 0.00 0.00 56.01 55.41 3fey n LEU 78 Cb 0.57 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.65 3fey n LEU 78 CO 0.40 0.17 -0.03 0.18 -1.33 0.00 0.00 177.39 176.78 3fey n LEU 79 N -1.66 2.54 0.25 2.23 4.77 -0.47 -4.93 117.00 119.75 3fey n LEU 79 Ca 0.02 -4.80 0.08 0.00 -0.03 0.00 0.00 56.01 51.27 3fey n LEU 79 Cb 0.36 0.13 0.62 0.00 -2.33 0.00 0.00 43.42 42.21 3fey n LEU 79 CO 0.41 2.08 1.01 1.55 -1.33 0.00 0.00 177.39 181.11 3fey h PRO 80 N 2.91 0.00 0.00 3.23 0.13 -1.79 0.29 132.00 136.77 3fey h PRO 80 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3fey h PRO 80 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3fey h PRO 80 CO 0.64 0.07 0.00 1.05 -0.23 0.00 0.00 178.00 179.52 3fey h GLU 81 N 0.00 0.00 -0.48 0.86 9.09 -1.91 -1.21 114.58 120.93 3fey h GLU 81 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3fey h GLU 81 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.22 3fey h GLU 81 CO 0.01 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.70 3fey n LYS 82 N -2.40 3.34 -0.41 1.06 5.02 0.10 -4.84 118.16 120.03 3fey n LYS 82 Ca -0.01 -2.67 -0.08 0.00 -2.02 0.00 0.00 58.31 53.54 3fey n LYS 82 Cb 0.09 -1.72 -0.05 0.00 -0.02 0.00 0.00 35.03 33.32 3fey n LYS 82 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3fey h LEU 83 N 3.03 -1.93 -0.15 -0.35 5.85 -1.25 -0.63 115.31 119.88 3fey h LEU 83 Ca 0.00 0.32 0.00 0.00 0.84 0.00 0.00 57.88 59.04 3fey h LEU 83 Cb 1.27 0.89 0.00 0.00 0.37 0.00 0.00 40.66 43.19 3fey h LEU 83 CO 0.17 -0.25 0.00 0.35 -0.34 0.00 0.00 178.44 178.37 3fey n THR 84 N -5.32 0.65 0.02 1.05 -2.24 -1.26 -1.44 114.28 105.74 3fey n THR 84 Ca 0.05 0.11 -0.18 0.00 -2.27 0.00 0.00 64.05 61.75 3fey n THR 84 Cb 0.31 -0.85 -0.13 0.00 -2.10 0.00 0.00 70.33 67.56 3fey n THR 84 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3fey h ILE 85 N 0.00 1.51 0.00 2.28 2.04 -1.45 -2.92 117.51 118.97 3fey h ILE 85 Ca 0.00 -2.30 -0.17 0.00 1.00 0.00 0.00 64.86 63.40 3fey h ILE 85 Cb 0.40 2.95 -0.02 0.00 -0.74 0.00 0.00 36.82 39.41 3fey h ILE 85 CO 0.00 0.65 -0.79 1.88 0.00 0.00 0.00 178.15 179.89 3fey h TYR 86 N -0.33 0.00 -0.06 1.37 0.05 -1.28 -2.00 116.97 114.72 3fey h TYR 86 Ca -0.10 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.55 3fey h TYR 86 Cb 1.42 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.14 3fey h TYR 86 CO 0.18 0.79 -0.57 1.79 -1.05 0.00 0.00 178.16 179.31 3fey h THR 87 N 0.00 1.38 -0.19 -2.88 1.35 -1.38 -0.32 112.91 110.86 3fey h THR 87 Ca -0.01 -1.90 -0.01 0.00 -0.55 0.00 0.00 66.41 63.94 3fey h THR 87 Cb 1.55 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 69.93 3fey h THR 87 CO 0.10 0.56 0.08 0.74 -0.25 0.00 0.00 175.52 176.75 3fey h THR 88 N 0.15 1.16 -0.46 6.82 2.02 -1.37 -1.37 112.91 119.87 3fey h THR 88 Ca -0.00 -0.47 0.03 0.00 0.77 0.00 0.00 66.41 66.74 3fey h THR 88 Cb 1.04 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 3fey h THR 88 CO 0.09 0.15 0.25 0.25 0.37 0.00 0.00 175.52 176.63 3fey h LEU 89 N 0.16 0.39 -0.97 2.58 5.85 -1.06 -1.11 115.31 121.14 3fey h LEU 89 Ca 0.06 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 3fey h LEU 89 Cb 0.16 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3fey h LEU 89 CO -0.01 0.28 0.20 0.58 -0.34 0.00 0.00 178.44 179.15 3fey h VAL 90 N 0.51 1.23 -0.97 1.05 2.07 -0.99 -1.81 116.25 117.34 3fey h VAL 90 Ca 0.19 -0.80 0.06 0.00 0.82 0.00 0.00 66.70 66.97 3fey h VAL 90 Cb 0.05 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 3fey h VAL 90 CO -0.11 0.31 0.63 1.23 0.02 0.00 0.00 177.57 179.65 3fey h GLY 91 N 1.02 1.44 0.89 2.17 0.00 -0.34 0.26 103.07 108.51 3fey h GLY 91 Ca 0.21 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 3fey h GLY 91 CO -0.01 0.33 -0.05 1.41 0.00 0.00 0.00 176.54 178.22 3fey h LEU 92 N 1.13 0.56 -0.51 3.11 4.07 -0.59 -1.14 115.31 121.94 3fey h LEU 92 Ca 0.41 -0.35 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 3fey h LEU 92 Cb 0.16 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 3fey h LEU 92 CO -0.16 0.78 0.31 -0.07 -1.08 0.00 0.00 178.44 178.22 3fey h LEU 93 N 0.33 0.61 -0.68 1.67 4.07 -0.92 -1.78 115.31 118.61 3fey h LEU 93 Ca 0.08 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3fey h LEU 93 Cb 0.52 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.07 3fey h LEU 93 CO 0.03 0.48 0.44 -1.13 -1.08 0.00 0.00 178.44 177.18 3fey h ASN 94 N 0.68 0.79 -0.45 -0.43 -1.24 -0.33 1.36 115.58 115.97 3fey h ASN 94 Ca 0.18 -0.03 -0.04 0.00 0.71 0.00 0.00 56.30 57.12 3fey h ASN 94 Cb -0.02 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 38.81 3fey h ASN 94 CO -0.03 0.58 0.13 0.00 -1.29 0.00 0.00 177.43 176.82 3fey h ALA 95 N 1.24 1.28 0.08 1.57 0.00 -0.90 -2.54 119.26 119.99 3fey h ALA 95 Ca 0.25 -0.19 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 3fey h ALA 95 Cb -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3fey h ALA 95 CO -0.05 0.51 -1.22 0.00 0.00 0.00 0.00 179.25 178.49 3fey h ARG 96 N 0.74 0.18 -3.07 0.00 3.08 -0.71 -3.45 114.38 111.15 3fey h ARG 96 Ca 0.17 -0.30 -0.45 0.00 0.07 0.00 0.00 59.98 59.47 3fey h ARG 96 Cb 0.26 0.11 -0.41 0.00 0.08 0.00 0.00 29.97 30.02 3fey h ARG 96 CO -0.00 1.11 -0.75 1.21 -1.07 0.00 0.00 179.97 180.47 3fey s ASN 97 N -6.95 2.21 0.13 7.04 3.84 0.46 -5.03 114.94 116.64 3fey s ASN 97 Ca -0.03 -0.54 -0.10 0.00 0.21 0.00 0.00 52.86 52.39 3fey s ASN 97 Cb 0.08 -0.22 -0.08 0.00 -0.55 0.00 0.00 41.25 40.48 3fey s ASN 97 CO 0.86 -0.34 1.39 0.22 -2.79 0.00 0.00 177.10 176.44 3fey h TYR 98 N 8.42 1.03 -0.37 0.43 3.20 -1.78 -2.86 116.97 125.04 3fey h TYR 98 Ca -0.15 -0.40 -0.05 0.00 3.14 0.00 0.00 58.73 61.28 3fey h TYR 98 Cb 1.15 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 3fey h TYR 98 CO 0.18 1.22 0.05 -0.91 -1.64 0.00 0.00 178.16 177.06 3fey h ASN 99 N 0.59 0.60 -0.20 -2.11 2.35 -1.95 -0.67 115.58 114.19 3fey h ASN 99 Ca -0.01 -0.27 0.05 0.00 -0.55 0.00 0.00 56.30 55.53 3fey h ASN 99 Cb 1.24 -0.16 -0.06 0.00 0.05 0.00 0.00 38.32 39.39 3fey h ASN 99 CO 0.13 0.72 -0.18 0.15 -1.65 0.00 0.00 177.43 176.60 3fey h PHE 100 N 0.46 -0.46 0.29 1.19 3.57 -1.92 0.27 116.94 120.33 3fey h PHE 100 Ca 0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3fey h PHE 100 Cb 0.38 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 3fey h PHE 100 CO 0.03 -0.26 -0.52 0.78 -2.23 0.00 0.00 178.31 176.11 3fey h GLY 101 N -0.19 -1.20 -0.04 2.40 0.00 -1.24 0.48 103.07 103.28 3fey h GLY 101 Ca 0.12 0.62 0.19 0.00 0.00 0.00 0.00 47.33 48.27 3fey h GLY 101 CO -0.32 -0.31 0.42 -1.33 0.00 0.00 0.00 176.54 175.00 3fey h GLY 102 N -0.87 1.50 1.61 4.60 0.00 -0.86 0.21 103.07 109.27 3fey h GLY 102 Ca -0.03 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 3fey h GLY 102 CO -0.19 -0.18 -0.25 -2.09 0.00 0.00 0.00 176.54 173.83 3fey h GLU 103 N 0.49 0.45 -0.28 4.80 4.81 0.40 -2.04 114.58 123.22 3fey h GLU 103 Ca 0.53 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 59.50 3fey h GLU 103 Cb 0.92 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 3fey h GLU 103 CO -0.46 0.67 -0.19 0.35 -0.73 0.00 0.00 179.01 178.64 3fey h PHE 104 N 0.40 0.72 -0.95 0.92 3.57 0.29 -1.62 116.94 120.28 3fey h PHE 104 Ca 0.06 -0.20 0.01 0.00 3.53 0.00 0.00 57.97 61.37 3fey h PHE 104 Cb 0.65 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.18 3fey h PHE 104 CO 0.02 0.89 0.63 0.28 -2.23 0.00 0.00 178.31 177.90 3fey h VAL 105 N 0.35 1.25 -0.65 1.41 2.07 -0.84 0.01 116.25 119.85 3fey h VAL 105 Ca 0.05 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 3fey h VAL 105 Cb 0.73 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3fey h VAL 105 CO 0.05 0.24 0.23 -0.08 0.02 0.00 0.00 177.57 178.03 3fey h GLU 106 N 1.29 0.99 -0.25 1.57 4.81 -1.25 -1.68 114.58 120.07 3fey h GLU 106 Ca 0.35 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3fey h GLU 106 Cb -0.15 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.07 3fey h GLU 106 CO -0.07 0.85 -0.16 0.00 -0.73 0.00 0.00 179.01 178.90 3fey h ALA 107 N 1.09 1.27 -0.16 2.92 0.00 -0.25 -1.50 119.26 122.63 3fey h ALA 107 Ca 0.21 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3fey h ALA 107 Cb 0.25 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3fey h ALA 107 CO -0.01 0.48 -0.16 0.52 0.00 0.00 0.00 179.25 180.08 3fey h MET 108 N 0.39 0.39 -0.66 0.00 2.86 -0.73 -1.68 114.93 115.50 3fey h MET 108 Ca 0.07 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 3fey h MET 108 Cb 0.51 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 3fey h MET 108 CO 0.03 0.76 0.13 0.82 1.06 0.00 0.00 176.91 179.71 3fey h ILE 109 N 0.04 1.26 0.46 -1.22 1.08 -1.14 0.11 117.51 118.09 3fey h ILE 109 Ca 0.03 -0.99 -0.01 0.00 -0.39 0.00 0.00 64.86 63.50 3fey h ILE 109 Cb 0.69 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 35.03 3fey h ILE 109 CO 0.04 0.37 -0.47 -0.09 -0.69 0.00 0.00 178.15 177.31 3fey h ARG 110 N 1.01 -0.90 -0.87 2.37 9.65 -1.26 -1.33 114.38 123.04 3fey h ARG 110 Ca 0.20 0.06 0.05 0.00 -1.10 0.00 0.00 59.98 59.20 3fey h ARG 110 Cb 0.40 0.21 -0.06 0.00 -1.39 0.00 0.00 29.97 29.13 3fey h ARG 110 CO 0.01 -0.60 0.55 0.37 2.80 0.00 0.00 179.97 183.10 3fey h GLN 111 N -0.94 1.00 -0.43 0.20 5.75 -1.14 -0.87 115.11 118.68 3fey h GLN 111 Ca -0.05 -0.06 0.08 0.00 -0.15 0.00 0.00 58.65 58.47 3fey h GLN 111 Cb 0.83 -0.22 -0.07 0.00 1.07 0.00 0.00 27.48 29.08 3fey h GLN 111 CO -0.07 0.66 0.00 1.25 -2.65 0.00 0.00 178.83 178.02 3fey h LEU 112 N 1.03 -0.18 -0.85 -2.39 5.85 -0.81 -0.28 115.31 117.68 3fey h LEU 112 Ca 0.37 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 59.11 3fey h LEU 112 Cb 0.12 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3fey h LEU 112 CO -0.15 -0.05 0.01 0.11 -0.34 0.00 0.00 178.44 178.01 3fey h LYS 113 N 0.11 0.87 -0.05 1.25 1.57 -0.01 -1.06 116.57 119.25 3fey h LYS 113 Ca 0.21 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3fey h LYS 113 Cb 0.31 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3fey h LYS 113 CO -0.36 0.86 0.02 0.93 -0.57 0.00 0.00 179.45 180.33 3fey h GLU 114 N 0.81 0.07 -0.62 3.15 5.08 -0.79 -1.51 114.58 120.77 3fey h GLU 114 Ca 0.15 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 3fey h GLU 114 Cb 0.47 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 3fey h GLU 114 CO 0.02 0.17 0.29 0.77 -1.00 0.00 0.00 179.01 179.26 3fey h SER 115 N -0.05 0.38 -0.81 1.42 0.02 -0.84 -0.40 113.55 113.28 3fey h SER 115 Ca 0.02 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3fey h SER 115 Cb 0.12 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 3fey h SER 115 CO -0.00 0.24 0.44 -0.07 -1.14 0.00 0.00 176.83 176.30 3fey h LEU 116 N 0.53 1.02 -0.72 5.07 3.38 -1.03 0.48 115.31 124.05 3fey h LEU 116 Ca 0.29 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 58.02 3fey h LEU 116 Cb 0.27 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3fey h LEU 116 CO -0.23 0.83 -0.59 0.11 0.09 0.00 0.00 178.44 178.65 3fey h LYS 117 N 1.13 0.16 -0.61 1.13 1.57 -0.34 -2.57 116.57 117.04 3fey h LYS 117 Ca 0.28 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3fey h LYS 117 Cb 0.04 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3fey h LYS 117 CO -0.04 0.71 0.00 0.00 -0.57 0.00 0.00 179.45 179.54 3fey n ALA 118 N -2.46 2.79 -1.69 3.86 0.00 -0.25 -4.89 120.51 117.87 3fey n ALA 118 Ca -0.02 -0.62 -0.16 0.00 0.00 0.00 0.00 53.44 52.64 3fey n ALA 118 Cb 0.60 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 3fey n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3fey n ASN 119 N 0.26 -4.90 -3.61 0.00 3.02 -0.97 -4.92 115.26 104.15 3fey n ASN 119 Ca 0.10 0.29 -0.41 0.00 -0.03 0.00 0.00 54.58 54.53 3fey n ASN 119 Cb 0.45 -3.87 -0.00 0.00 -0.61 0.00 0.00 39.78 35.75 3fey n ASN 119 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3fey n ASN 120 N -0.73 7.17 -0.03 6.41 3.02 0.17 -4.75 115.26 126.53 3fey n ASN 120 Ca -0.17 -3.18 -0.05 0.00 -0.03 0.00 0.00 54.58 51.16 3fey n ASN 120 Cb 0.56 -1.38 0.16 0.00 -0.61 0.00 0.00 39.78 38.52 3fey n ASN 120 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 3fey h TYR 121 N 4.91 0.67 -0.68 3.10 0.05 -1.89 -2.03 116.97 121.10 3fey h TYR 121 Ca 0.59 -0.14 -0.05 0.00 0.05 0.00 0.00 58.73 59.19 3fey h TYR 121 Cb 0.40 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 3fey h TYR 121 CO 1.48 0.77 0.24 -0.91 -1.05 0.00 0.00 178.16 178.69 3fey h ASN 122 N 0.53 0.96 -0.42 3.88 -0.26 -1.96 -2.14 115.58 116.17 3fey h ASN 122 Ca 0.08 -0.19 -0.12 0.00 -0.56 0.00 0.00 56.30 55.51 3fey h ASN 122 Cb 0.66 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 37.66 3fey h ASN 122 CO 0.05 0.89 -0.18 -0.33 -1.06 0.00 0.00 177.43 176.81 3fey h GLU 123 N 0.98 0.91 -0.93 0.81 5.08 -1.89 -3.14 114.58 116.40 3fey h GLU 123 Ca 0.22 -0.36 0.08 0.00 -1.00 0.00 0.00 59.36 58.31 3fey h GLU 123 Cb 0.25 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.39 3fey h GLU 123 CO -0.01 1.01 0.60 0.00 -1.00 0.00 0.00 179.01 179.61 3fey h ALA 124 N 0.99 1.54 -0.49 3.43 0.00 -0.88 0.18 119.26 124.03 3fey h ALA 124 Ca 0.12 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3fey h ALA 124 Cb 0.72 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3fey h ALA 124 CO 0.06 0.29 0.33 0.28 0.00 0.00 0.00 179.25 180.20 3fey h VAL 125 N 1.00 1.04 -0.22 0.00 2.07 -1.35 -0.80 116.25 117.99 3fey h VAL 125 Ca 0.42 -0.18 -0.17 0.00 0.82 0.00 0.00 66.70 67.59 3fey h VAL 125 Cb 0.31 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3fey h VAL 125 CO -0.18 0.10 -0.55 1.88 0.02 0.00 0.00 177.57 178.84 3fey h TYR 126 N 0.53 0.85 -0.61 1.57 0.05 -0.76 -0.85 116.97 117.76 3fey h TYR 126 Ca 0.20 -0.30 -0.06 0.00 0.05 0.00 0.00 58.73 58.62 3fey h TYR 126 Cb 0.13 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 3fey h TYR 126 CO -0.00 1.07 0.16 -0.07 -1.05 0.00 0.00 178.16 178.27 3fey h LEU 127 N 0.52 0.91 -0.67 3.88 3.38 -0.70 -1.40 115.31 121.24 3fey h LEU 127 Ca 0.01 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 3fey h LEU 127 Cb 1.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 3fey h LEU 127 CO 0.11 0.90 0.01 0.58 0.09 0.00 0.00 178.44 180.13 3fey h VAL 128 N 0.88 1.26 -0.07 1.22 2.07 -0.99 -1.26 116.25 119.37 3fey h VAL 128 Ca 0.19 -1.13 -0.07 0.00 0.82 0.00 0.00 66.70 66.51 3fey h VAL 128 Cb 0.34 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3fey h VAL 128 CO 0.00 0.41 -0.27 0.03 0.02 0.00 0.00 177.57 177.76 3fey h ARG 129 N 0.96 0.12 0.17 1.57 3.08 -0.84 -1.61 114.38 117.82 3fey h ARG 129 Ca 0.17 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3fey h ARG 129 Cb 0.54 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3fey h ARG 129 CO 0.03 0.39 -0.08 0.35 -1.07 0.00 0.00 179.97 179.58 3fey h PHE 130 N 0.11 -0.22 -0.80 3.04 3.04 -0.58 -1.27 116.94 120.26 3fey h PHE 130 Ca 0.02 -0.01 0.17 0.00 3.98 0.00 0.00 57.97 62.13 3fey h PHE 130 Cb 0.54 0.07 -0.11 0.00 2.56 0.00 0.00 35.95 39.02 3fey h PHE 130 CO 0.00 0.17 0.30 -0.07 -2.02 0.00 0.00 178.31 176.69 3fey h LEU 131 N -0.67 0.23 -0.21 0.59 3.38 -1.12 -0.72 115.31 116.80 3fey h LEU 131 Ca -0.02 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3fey h LEU 131 Cb 0.48 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3fey h LEU 131 CO 0.04 0.04 0.09 0.28 0.09 0.00 0.00 178.44 178.98 3fey h SER 132 N 0.39 0.13 0.76 -0.43 0.02 -1.06 -2.49 113.55 110.86 3fey h SER 132 Ca 0.46 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.36 3fey h SER 132 Cb 0.78 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 3fey h SER 132 CO -0.47 0.10 -0.32 -0.78 -1.14 0.00 0.00 176.83 174.22 3fey h ASP 133 N 0.20 0.00 0.00 3.07 3.58 -0.51 -2.32 116.42 120.44 3fey h ASP 133 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 3fey h ASP 133 Cb 0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.08 3fey h ASP 133 CO -0.07 0.32 0.00 -0.07 -2.88 0.00 0.00 179.24 176.54 3fey h LEU 134 N 0.00 0.00 -0.62 2.28 3.38 -0.68 0.21 115.31 119.88 3fey h LEU 134 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3fey h LEU 134 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3fey h LEU 134 CO 0.04 0.00 -0.36 0.58 0.09 0.00 0.00 178.44 178.79 3fey h VAL 135 N 0.00 1.29 0.00 1.22 2.07 -1.40 -1.45 116.25 117.98 3fey h VAL 135 Ca 0.00 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 65.99 3fey h VAL 135 Cb 0.00 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3fey h VAL 135 CO 0.00 0.49 -0.08 0.78 0.02 0.00 0.00 177.57 178.78 3fey h ASN 136 N 0.57 0.00 -0.60 0.57 2.35 -1.09 -2.94 115.58 114.44 3fey h ASN 136 Ca 0.06 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 3fey h ASN 136 Cb 0.88 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.23 3fey h ASN 136 CO 0.08 0.08 0.05 0.00 -1.65 0.00 0.00 177.43 175.99 3fey n HIS 138 N 0.46 -1.26 -0.08 0.00 8.25 -1.11 -4.68 115.22 116.79 3fey n HIS 138 Ca 0.30 0.03 -0.05 0.00 -0.26 0.00 0.00 57.72 57.74 3fey n HIS 138 Cb 1.23 -3.36 -0.15 0.00 1.12 0.00 0.00 29.99 28.83 3fey n HIS 138 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3fey n VAL 139 N -3.72 1.03 -4.51 1.59 0.31 -0.58 -3.85 118.33 108.61 3fey n VAL 139 Ca -0.19 -0.74 -0.23 0.00 -0.01 0.00 0.00 64.34 63.18 3fey n VAL 139 Cb 0.64 -0.38 -0.16 0.00 -0.91 0.00 0.00 33.84 33.03 3fey n VAL 139 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3fey s ILE 140 N -2.66 0.99 0.13 2.52 1.01 -1.11 -0.28 121.20 121.80 3fey s ILE 140 Ca -0.09 -0.43 -0.31 0.00 0.00 0.00 0.00 60.65 59.82 3fey s ILE 140 Cb 0.07 -0.90 -0.08 0.00 0.01 0.00 0.00 42.46 41.56 3fey s ILE 140 CO 0.79 0.31 1.34 0.00 0.00 0.00 0.00 174.94 177.38 3fey s ALA 141 N 0.46 3.54 0.36 9.38 0.00 0.31 -4.31 121.76 131.49 3fey s ALA 141 Ca -0.09 1.07 0.03 0.00 0.00 0.00 0.00 51.96 52.97 3fey s ALA 141 Cb -0.13 -3.51 0.67 0.00 0.00 0.00 0.00 23.12 20.16 3fey s ALA 141 CO 0.02 -0.56 2.00 0.00 0.00 0.00 0.00 175.76 177.22 3fey h ALA 142 N 6.45 1.59 -0.09 0.00 0.00 -1.91 -2.09 119.26 123.22 3fey h ALA 142 Ca -0.43 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 3fey h ALA 142 Cb 1.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3fey h ALA 142 CO 0.83 0.36 -0.39 -1.35 0.00 0.00 0.00 179.25 178.70 3fey h PRO 143 N 0.82 0.18 0.00 0.00 0.11 -1.96 0.15 132.00 131.30 3fey h PRO 143 Ca 0.25 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 66.20 3fey h PRO 143 Cb -0.02 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3fey h PRO 143 CO -0.06 0.55 -0.33 0.66 -0.21 0.00 0.00 178.00 178.61 3fey h SER 144 N 0.16 0.00 -0.06 -2.05 4.64 -1.73 -1.62 113.55 112.88 3fey h SER 144 Ca 0.02 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.25 3fey h SER 144 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3fey h SER 144 CO 0.06 0.33 -0.30 -0.03 -0.87 0.00 0.00 176.83 176.02 3fey h MET 145 N 0.00 0.32 -0.97 4.77 -1.53 -0.98 -2.60 114.93 113.94 3fey h MET 145 Ca -0.00 -0.26 0.21 0.00 -3.44 0.00 0.00 59.70 56.21 3fey h MET 145 Cb 0.72 0.05 -0.09 0.00 -0.55 0.00 0.00 31.60 31.74 3fey h MET 145 CO 0.04 0.90 0.62 0.28 0.14 0.00 0.00 176.91 178.89 3fey h VAL 146 N -0.19 0.67 -0.30 -5.77 2.07 -0.58 -1.97 116.25 110.18 3fey h VAL 146 Ca -0.02 -0.19 -0.18 0.00 0.82 0.00 0.00 66.70 67.13 3fey h VAL 146 Cb 0.95 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3fey h VAL 146 CO 0.06 0.10 -0.52 0.00 0.02 0.00 0.00 177.57 177.23 3fey h ALA 147 N 1.62 0.51 -0.42 1.67 0.00 -1.16 -2.16 119.26 119.32 3fey h ALA 147 Ca 0.53 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3fey h ALA 147 Cb 1.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3fey h ALA 147 CO -0.28 0.68 -0.01 1.98 0.00 0.00 0.00 179.25 181.62 3fey h MET 148 N 0.67 0.75 0.00 0.00 -1.53 -1.00 -2.05 114.93 111.77 3fey h MET 148 Ca 0.02 -0.25 -0.01 0.00 -3.44 0.00 0.00 59.70 56.02 3fey h MET 148 Cb 1.12 -0.06 -0.00 0.00 -0.55 0.00 0.00 31.60 32.11 3fey h MET 148 CO 0.12 0.83 -0.07 0.74 0.14 0.00 0.00 176.91 178.67 3fey h PHE 149 N 0.58 0.00 -0.35 1.39 0.04 -1.33 -1.11 116.94 116.17 3fey h PHE 149 Ca 0.12 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 3fey h PHE 149 Cb 0.51 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.64 3fey h PHE 149 CO 0.04 0.07 0.18 0.93 -0.60 0.00 0.00 178.31 178.93 3fey h GLU 150 N 0.00 0.49 -0.29 1.51 5.08 -0.70 -1.58 114.58 119.09 3fey h GLU 150 Ca -0.00 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 3fey h GLU 150 Cb 0.14 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3fey h GLU 150 CO 0.01 0.42 -0.19 -0.91 -1.00 0.00 0.00 179.01 177.33 3fey h ASN 151 N 0.43 0.52 0.39 1.42 2.35 -0.93 -2.36 115.58 117.40 3fey h ASN 151 Ca 0.12 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 3fey h ASN 151 Cb 0.07 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3fey h ASN 151 CO -0.02 0.73 -0.31 -0.26 -1.65 0.00 0.00 177.43 175.92 3fey h PHE 152 N 0.48 -0.83 0.00 1.19 -1.00 -1.00 -2.48 116.94 113.30 3fey h PHE 152 Ca 0.08 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.82 3fey h PHE 152 Cb 0.61 0.31 -0.01 0.00 3.61 0.00 0.00 35.95 40.47 3fey h PHE 152 CO 0.02 -0.46 -0.17 0.28 -1.61 0.00 0.00 178.31 176.37 3fey h VAL 153 N -0.70 0.71 0.00 -0.55 2.07 -1.22 -0.46 116.25 116.10 3fey h VAL 153 Ca -0.03 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3fey h VAL 153 Cb 0.61 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3fey h VAL 153 CO -0.01 0.17 0.00 0.77 0.02 0.00 0.00 177.57 178.51 3fey h SER 154 N 0.00 0.00 -0.07 0.57 4.64 -0.95 0.14 113.55 117.89 3fey h SER 154 Ca -0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3fey h SER 154 Cb 0.42 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3fey h SER 154 CO 0.02 0.00 0.05 0.58 -0.87 0.00 0.00 176.83 176.61 3fey h VAL 155 N 0.00 0.96 0.00 0.95 2.07 -0.97 0.84 116.25 120.10 3fey h VAL 155 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3fey h VAL 155 Cb 0.22 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3fey h VAL 155 CO 0.00 0.00 0.02 0.35 0.02 0.00 0.00 177.57 177.96 3fey n THR 156 N -4.51 1.11 -0.07 2.57 -2.24 0.50 -2.23 114.28 109.42 3fey n THR 156 Ca -0.01 0.30 -0.06 0.00 -2.27 0.00 0.00 64.05 62.00 3fey n THR 156 Cb 0.16 -1.30 -0.15 0.00 -2.10 0.00 0.00 70.33 66.94 3fey n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fey n GLN 157 N -1.27 0.68 -1.44 -0.78 3.00 0.29 -4.99 117.38 112.88 3fey n GLN 157 Ca 0.00 0.01 -0.37 0.00 -0.01 0.00 0.00 57.00 56.63 3fey n GLN 157 Cb 0.02 -1.56 0.06 0.00 0.00 0.00 0.00 30.24 28.75 3fey n GLN 157 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3fey n GLU 158 N -2.72 0.54 -3.85 -1.09 1.02 -0.94 -4.97 120.64 108.62 3fey n GLU 158 Ca -0.26 0.22 -0.31 0.00 -0.02 0.00 0.00 57.16 56.79 3fey n GLU 158 Cb 1.05 -1.91 -0.04 0.00 -0.02 0.00 0.00 31.44 30.53 3fey n GLU 158 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3fey s GLU 159 N -2.58 3.48 -1.34 3.49 0.41 -1.26 -4.58 118.70 116.33 3fey s GLU 159 Ca 0.70 -0.36 -0.06 0.00 -0.41 0.00 0.00 54.97 54.84 3fey s GLU 159 Cb -0.40 -2.98 0.02 0.00 -1.78 0.00 0.00 34.13 28.99 3fey s GLU 159 CO 0.53 0.56 1.03 -0.25 -0.49 0.00 0.00 175.26 176.64 3fey n ASP 160 N 0.14 -4.09 -4.11 -0.19 9.92 -1.26 -5.00 116.55 111.96 3fey n ASP 160 Ca -0.04 -0.65 -0.15 0.00 -0.53 0.00 0.00 54.79 53.42 3fey n ASP 160 Cb 0.51 -4.72 -0.12 0.00 -0.64 0.00 0.00 41.12 36.16 3fey n ASP 160 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 3fey s VAL 161 N -3.38 0.80 0.52 2.53 -7.23 -1.26 -5.13 120.40 107.25 3fey s VAL 161 Ca 0.34 -1.20 -0.23 0.00 -1.81 0.00 0.00 61.98 59.08 3fey s VAL 161 Cb -0.16 -0.84 -0.06 0.00 0.56 0.00 0.00 36.38 35.88 3fey s VAL 161 CO 0.76 -0.32 1.39 -2.65 -0.31 0.00 0.00 175.10 173.97 3fey n PRO 162 N 1.34 1.89 -0.34 4.82 -0.02 -1.26 -4.90 135.00 136.52 3fey n PRO 162 Ca -0.22 0.69 0.04 0.00 -2.02 0.00 0.00 63.50 61.98 3fey n PRO 162 Cb 0.55 -2.61 0.21 0.00 -0.02 0.00 0.00 33.50 31.62 3fey n PRO 162 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3fey h GLN 163 N 1.72 1.07 0.00 -0.52 4.15 -1.47 -1.56 115.11 118.50 3fey h GLN 163 Ca -0.51 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 58.84 3fey h GLN 163 Cb 1.29 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 28.74 3fey h GLN 163 CO 0.58 0.71 -0.01 -0.39 -1.93 0.00 0.00 178.83 177.79 3fey h VAL 164 N 1.10 0.72 0.21 2.39 -1.51 -1.90 0.32 116.25 117.58 3fey h VAL 164 Ca 0.42 -0.05 -0.01 0.00 -1.23 0.00 0.00 66.70 65.83 3fey h VAL 164 Cb 0.21 1.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 3fey h VAL 164 CO -0.17 0.01 -0.10 -0.09 -1.23 0.00 0.00 177.57 175.99 3fey h ARG 165 N 0.00 -0.27 -0.53 5.19 2.43 -1.64 -2.37 114.38 117.20 3fey h ARG 165 Ca -0.00 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.29 3fey h ARG 165 Cb 0.03 0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.55 3fey h ARG 165 CO 0.00 0.12 -0.02 0.00 -1.51 0.00 0.00 179.97 178.56 3fey h ARG 166 N -0.89 0.10 -0.49 0.20 3.08 -1.32 -2.57 114.38 112.50 3fey h ARG 166 Ca -0.03 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.11 3fey h ARG 166 Cb 0.51 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.45 3fey h ARG 166 CO 0.05 0.06 -0.01 -0.44 -1.07 0.00 0.00 179.97 178.56 3fey h ASP 167 N 0.10 -0.24 0.61 7.04 5.19 -0.37 -2.33 116.42 126.42 3fey h ASP 167 Ca 0.27 0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.77 3fey h ASP 167 Cb 0.41 0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.13 3fey h ASP 167 CO -0.46 -0.08 -0.41 -0.25 -3.12 0.00 0.00 179.24 174.92 3fey h TRP 168 N 0.10 -1.10 -0.82 4.55 7.01 -1.00 0.34 115.95 125.03 3fey h TRP 168 Ca 0.24 -0.01 0.17 0.00 2.11 0.00 0.00 58.89 61.41 3fey h TRP 168 Cb 0.37 0.40 -0.11 0.00 -2.10 0.00 0.00 29.16 27.72 3fey h TRP 168 CO -0.32 -0.61 0.34 1.88 -2.79 0.00 0.00 178.44 176.94 3fey h TYR 169 N -0.98 0.58 -0.23 2.65 0.05 -1.42 0.46 116.97 118.08 3fey h TYR 169 Ca -0.07 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.75 3fey h TYR 169 Cb 0.81 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.40 3fey h TYR 169 CO -0.13 0.04 0.15 0.28 -1.05 0.00 0.00 178.16 177.45 3fey h VAL 170 N 0.45 1.07 -0.44 -2.88 2.07 -1.12 -2.42 116.25 112.99 3fey h VAL 170 Ca 0.47 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.87 3fey h VAL 170 Cb 0.77 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3fey h VAL 170 CO -0.44 0.07 0.22 0.22 0.02 0.00 0.00 177.57 177.65 3fey h TYR 171 N 0.30 0.40 -0.37 1.57 3.20 0.16 -0.02 116.97 122.22 3fey h TYR 171 Ca 0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3fey h TYR 171 Cb -0.01 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 3fey h TYR 171 CO -0.06 0.21 0.23 0.00 -1.64 0.00 0.00 178.16 176.90 3fey h ALA 172 N 1.23 1.72 0.30 1.82 0.00 -0.15 0.79 119.26 124.98 3fey h ALA 172 Ca 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3fey h ALA 172 Cb 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3fey h ALA 172 CO -0.13 0.25 -0.14 0.35 0.00 0.00 0.00 179.25 179.58 3fey h PHE 173 N 0.50 -0.37 -0.70 0.00 3.57 -0.88 -3.17 116.94 115.89 3fey h PHE 173 Ca 0.13 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.75 3fey h PHE 173 Cb -0.04 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 3fey h PHE 173 CO 0.00 -0.23 0.47 -0.07 -2.23 0.00 0.00 178.31 176.25 3fey h LEU 174 N -1.07 0.41 -1.85 0.59 3.38 -1.00 -1.42 115.31 114.34 3fey h LEU 174 Ca -0.04 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3fey h LEU 174 Cb 0.31 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3fey h LEU 174 CO 0.07 0.23 0.26 0.28 0.09 0.00 0.00 178.44 179.36 3fey h SER 175 N 0.45 0.16 1.53 -0.43 0.02 -0.90 -2.58 113.55 111.79 3fey h SER 175 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 3fey h SER 175 Cb 0.69 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3fey h SER 175 CO -0.10 0.10 -0.40 0.28 -1.14 0.00 0.00 176.83 175.57 3fey h SER 176 N 0.18 0.00 -0.12 3.07 0.02 -1.22 -3.39 113.55 112.09 3fey h SER 176 Ca 0.17 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3fey h SER 176 Cb 0.44 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 3fey h SER 176 CO -0.03 0.01 -0.00 -0.07 -1.14 0.00 0.00 176.83 175.60 3fey h LEU 177 N 0.00 0.29 -2.24 5.07 3.38 -1.51 -0.72 115.31 119.58 3fey h LEU 177 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3fey h LEU 177 Cb 0.96 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 3fey h LEU 177 CO 0.00 0.35 0.01 -0.65 0.09 0.00 0.00 178.44 178.24 3fey h PRO 178 N 0.31 0.00 0.16 1.13 0.11 -1.78 1.22 132.00 133.17 3fey h PRO 178 Ca 0.07 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.83 3fey h PRO 178 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 3fey h PRO 178 CO 0.01 0.00 -1.80 -1.49 -0.21 0.00 0.00 178.00 174.51 3fey h TRP 179 N 0.00 0.63 0.00 0.65 6.55 -1.44 -3.42 115.95 118.92 3fey h TRP 179 Ca 0.01 -0.46 0.00 0.00 0.95 0.00 0.00 58.89 59.38 3fey h TRP 179 Cb 0.03 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 28.30 3fey h TRP 179 CO 0.00 1.67 0.00 1.55 -1.05 0.00 0.00 178.44 180.61 3fey n VAL 180 N -3.55 0.53 -0.32 1.49 3.14 -0.97 -4.78 118.33 113.87 3fey n VAL 180 Ca -0.26 -0.57 0.05 0.00 -2.96 0.00 0.00 64.34 60.61 3fey n VAL 180 Cb 1.07 0.79 0.21 0.00 -1.06 0.00 0.00 33.84 34.84 3fey n VAL 180 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3fey h GLY 181 N 0.00 1.45 0.64 7.55 0.00 0.13 -1.85 103.07 110.99 3fey h GLY 181 Ca 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 3fey h GLY 181 CO 0.00 0.12 -0.04 1.70 0.00 0.00 0.00 176.54 178.32 3fey h LYS 182 N 0.85 -0.11 -0.14 4.80 3.64 -1.79 -2.51 116.57 121.31 3fey h LYS 182 Ca 0.45 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.84 3fey h LYS 182 Cb 0.46 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3fey h LYS 182 CO -0.27 0.24 0.09 0.93 -2.27 0.00 0.00 179.45 178.17 3fey h GLU 183 N -0.47 0.19 -0.46 1.90 4.39 -1.86 -0.38 114.58 117.90 3fey h GLU 183 Ca -0.01 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3fey h GLU 183 Cb 0.40 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 3fey h GLU 183 CO 0.02 0.16 0.18 -0.07 -1.16 0.00 0.00 179.01 178.14 3fey h LEU 184 N 0.17 0.59 0.00 1.33 4.07 -1.39 -2.16 115.31 117.92 3fey h LEU 184 Ca 0.05 -0.06 -0.13 0.00 0.08 0.00 0.00 57.88 57.81 3fey h LEU 184 Cb 0.02 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 3fey h LEU 184 CO -0.01 0.54 -0.72 0.22 -1.08 0.00 0.00 178.44 177.39 3fey h TYR 185 N 0.65 0.00 -0.16 1.13 3.20 -1.23 -1.79 116.97 118.77 3fey h TYR 185 Ca 0.16 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 3fey h TYR 185 Cb 0.13 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3fey h TYR 185 CO 0.01 0.60 -0.04 1.49 -1.64 0.00 0.00 178.16 178.58 3fey h GLU 186 N 0.00 0.32 0.04 1.82 4.57 -0.65 -2.94 114.58 117.74 3fey h GLU 186 Ca -0.03 -0.12 -0.24 0.00 -1.18 0.00 0.00 59.36 57.79 3fey h GLU 186 Cb 1.48 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.03 3fey h GLU 186 CO 0.07 0.59 -1.18 0.87 -1.18 0.00 0.00 179.01 178.18 3fey h LYS 187 N 0.02 0.08 -1.35 1.92 1.57 -1.45 -3.41 116.57 113.95 3fey h LYS 187 Ca 0.04 -0.14 -0.40 0.00 -1.87 0.00 0.00 60.65 58.28 3fey h LYS 187 Cb 0.47 0.05 -0.39 0.00 0.08 0.00 0.00 32.23 32.44 3fey h LYS 187 CO 0.02 1.00 -1.17 1.63 -0.57 0.00 0.00 179.45 180.36 3fey n LYS 188 N -3.36 1.07 -0.15 3.15 4.76 -0.67 -4.98 118.16 117.98 3fey n LYS 188 Ca -0.05 -3.25 -0.09 0.00 -2.87 0.00 0.00 58.31 52.05 3fey n LYS 188 Cb 0.98 -1.39 0.06 0.00 -1.84 0.00 0.00 35.03 32.83 3fey n LYS 188 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 3fey h ASP 189 N 2.98 0.93 -0.27 4.39 2.03 -1.70 -0.34 116.42 124.45 3fey h ASP 189 Ca -0.03 -0.30 -0.01 0.00 -0.73 0.00 0.00 57.03 55.96 3fey h ASP 189 Cb 1.10 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 39.33 3fey h ASP 189 CO 0.48 1.06 0.13 0.00 -1.03 0.00 0.00 179.24 179.88 3fey h ALA 190 N 1.02 0.34 -0.01 4.15 0.00 -1.94 -1.42 119.26 121.41 3fey h ALA 190 Ca 0.13 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3fey h ALA 190 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3fey h ALA 190 CO 0.05 -0.10 -0.47 1.49 0.00 0.00 0.00 179.25 180.22 3fey h GLU 191 N 0.30 0.03 -0.24 0.00 4.81 -1.90 -2.65 114.58 114.94 3fey h GLU 191 Ca 0.09 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 3fey h GLU 191 Cb 0.11 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3fey h GLU 191 CO -0.01 0.50 -0.39 0.52 -0.73 0.00 0.00 179.01 178.90 3fey h MET 192 N 0.03 0.55 -0.36 1.92 2.86 -0.91 -2.66 114.93 116.36 3fey h MET 192 Ca -0.00 -0.27 -0.05 0.00 -2.06 0.00 0.00 59.70 57.31 3fey h MET 192 Cb 0.85 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 3fey h MET 192 CO 0.06 0.85 -0.01 -0.44 1.06 0.00 0.00 176.91 178.43 3fey h ASP 193 N 0.45 0.53 -0.25 1.22 3.45 -1.00 -1.82 116.42 119.00 3fey h ASP 193 Ca 0.04 -0.11 -0.02 0.00 0.43 0.00 0.00 57.03 57.38 3fey h ASP 193 Cb 0.88 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.51 3fey h ASP 193 CO 0.08 0.60 0.09 -0.09 -1.57 0.00 0.00 179.24 178.34 3fey h ARG 194 N 0.53 0.38 -0.26 3.56 2.43 -1.25 -1.50 114.38 118.28 3fey h ARG 194 Ca 0.11 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 3fey h ARG 194 Cb 0.36 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3fey h ARG 194 CO 0.01 0.44 -0.33 0.82 -1.51 0.00 0.00 179.97 179.41 3fey h ILE 195 N 0.24 1.29 -0.25 1.20 2.04 -1.15 -1.41 117.51 119.46 3fey h ILE 195 Ca 0.08 -1.44 -0.03 0.00 1.00 0.00 0.00 64.86 64.48 3fey h ILE 195 Cb 0.22 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3fey h ILE 195 CO -0.00 0.46 0.04 -0.26 0.00 0.00 0.00 178.15 178.38 3fey h PHE 196 N 0.47 0.37 0.36 1.37 -1.00 -1.28 0.28 116.94 117.50 3fey h PHE 196 Ca 0.05 -0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 3fey h PHE 196 Cb 0.80 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.25 3fey h PHE 196 CO 0.03 0.35 -0.17 0.00 -1.61 0.00 0.00 178.31 176.91 3fey h ALA 197 N 1.69 -0.48 0.18 2.45 0.00 -0.49 -0.34 119.26 122.26 3fey h ALA 197 Ca 0.09 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3fey h ALA 197 Cb 0.18 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3fey h ALA 197 CO -0.00 -0.66 -0.32 -0.91 0.00 0.00 0.00 179.25 177.36 3fey h ASN 198 N -0.71 -0.91 -0.61 0.00 4.21 -1.07 -1.54 115.58 114.95 3fey h ASN 198 Ca -0.05 0.10 0.11 0.00 1.21 0.00 0.00 56.30 57.67 3fey h ASN 198 Cb 0.49 0.33 -0.09 0.00 -1.12 0.00 0.00 38.32 37.94 3fey h ASN 198 CO 0.08 -0.42 0.13 0.74 -1.29 0.00 0.00 177.43 176.67 3fey h THR 199 N -0.58 0.64 -0.35 2.81 2.02 -0.50 -1.70 112.91 115.25 3fey h THR 199 Ca 0.02 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 3fey h THR 199 Cb 0.59 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3fey h THR 199 CO -0.15 0.05 0.14 -0.08 0.37 0.00 0.00 175.52 175.84 3fey h GLU 200 N 0.26 0.53 -0.82 6.66 4.81 -0.73 -1.27 114.58 124.02 3fey h GLU 200 Ca 0.32 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3fey h GLU 200 Cb 0.48 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 3fey h GLU 200 CO -0.41 0.52 0.54 0.66 -0.73 0.00 0.00 179.01 179.60 3fey h SER 201 N 0.42 0.95 -0.38 1.04 4.64 -0.71 -1.72 113.55 117.79 3fey h SER 201 Ca 0.12 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 3fey h SER 201 Cb 0.20 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 3fey h SER 201 CO -0.01 0.69 0.13 0.22 -0.87 0.00 0.00 176.83 177.00 3fey h TYR 202 N 1.12 0.60 -0.48 4.77 3.20 -0.83 -2.46 116.97 122.88 3fey h TYR 202 Ca 0.30 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 62.15 3fey h TYR 202 Cb -0.13 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 37.93 3fey h TYR 202 CO 0.00 0.55 0.27 -0.07 -1.64 0.00 0.00 178.16 177.27 3fey h LEU 203 N 0.47 0.41 -2.28 2.82 3.38 -0.41 0.07 115.31 119.77 3fey h LEU 203 Ca 0.13 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3fey h LEU 203 Cb 0.22 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3fey h LEU 203 CO -0.01 0.29 0.11 0.11 0.09 0.00 0.00 178.44 179.02 3fey h LYS 204 N 0.53 0.00 0.00 1.13 1.57 -1.28 -2.74 116.57 115.78 3fey h LYS 204 Ca 0.20 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.79 3fey h LYS 204 Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3fey h LYS 204 CO -0.12 0.00 -1.23 0.00 -0.57 0.00 0.00 179.45 177.53 3fey h ARG 205 N 0.00 0.00 -6.94 3.15 3.08 -0.53 -3.48 114.38 109.66 3fey h ARG 205 Ca 0.05 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.55 3fey h ARG 205 Cb 0.26 0.00 0.18 0.00 0.08 0.00 0.00 29.97 30.49 3fey h ARG 205 CO -0.00 0.49 0.05 0.54 -1.07 0.00 0.00 179.97 179.98 3fey n ARG 206 N -3.06 0.43 -3.46 0.04 1.74 -0.61 -4.99 116.66 106.75 3fey n ARG 206 Ca -0.07 0.20 -0.32 0.00 -0.77 0.00 0.00 57.85 56.89 3fey n ARG 206 Cb 0.88 -2.19 -0.05 0.00 -1.02 0.00 0.00 32.46 30.08 3fey n ARG 206 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3fey s GLN 207 N -3.36 3.77 -0.22 5.56 -2.07 -1.26 -5.00 119.66 117.07 3fey s GLN 207 Ca 0.72 0.21 0.13 0.00 -1.82 0.00 0.00 55.36 54.59 3fey s GLN 207 Cb -0.34 -2.68 0.46 0.00 -1.09 0.00 0.00 33.01 29.36 3fey s GLN 207 CO 0.52 0.34 1.35 1.63 -1.32 0.00 0.00 175.29 177.81 3fey n LYS 208 N -0.12 1.93 0.16 9.60 4.76 -1.26 -4.74 118.16 128.49 3fey n LYS 208 Ca -0.00 -3.02 0.09 0.00 -2.87 0.00 0.00 58.31 52.51 3fey n LYS 208 Cb 0.52 -1.73 0.60 0.00 -1.84 0.00 0.00 35.03 32.59 3fey n LYS 208 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3fey h THR 209 N 0.99 0.98 0.00 -0.18 2.02 -1.96 -1.87 112.91 112.89 3fey h THR 209 Ca 0.09 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.18 3fey h THR 209 Cb 1.37 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 3fey h THR 209 CO 0.21 0.02 -0.22 1.12 0.37 0.00 0.00 175.52 177.02 3fey h HIS 210 N 0.12 0.00 -0.33 3.16 2.07 -1.85 -3.39 115.15 114.93 3fey h HIS 210 Ca 0.07 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.64 3fey h HIS 210 Cb 0.15 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.09 3fey h HIS 210 CO -0.00 0.22 0.08 0.28 -3.07 0.00 0.00 177.93 175.44 3fey h VAL 211 N 0.00 0.86 0.00 6.12 2.07 -1.72 -1.36 116.25 122.22 3fey h VAL 211 Ca -0.00 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3fey h VAL 211 Cb 0.79 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3fey h VAL 211 CO 0.03 0.04 -0.08 -0.65 0.02 0.00 0.00 177.57 176.92 3fey h PRO 212 N 0.20 0.00 0.00 1.57 0.11 -1.80 -1.54 132.00 130.55 3fey h PRO 212 Ca 0.15 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.23 3fey h PRO 212 Cb 0.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 3fey h PRO 212 CO -0.19 0.08 -0.14 1.98 -0.21 0.00 0.00 178.00 179.52 3fey h MET 213 N 0.00 0.00 0.00 1.05 4.05 -1.51 -3.36 114.93 115.16 3fey h MET 213 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3fey h MET 213 Cb 0.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 3fey h MET 213 CO 0.01 0.14 -0.55 1.28 0.23 0.00 0.00 176.91 178.02 3fey n LEU 214 N -3.19 0.38 -4.77 3.39 4.77 -0.64 -4.95 117.00 111.98 3fey n LEU 214 Ca 0.02 -0.44 -0.37 0.00 -0.03 0.00 0.00 56.01 55.19 3fey n LEU 214 Cb 0.49 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 3fey n LEU 214 CO 0.33 0.09 0.80 -1.10 -1.33 0.00 0.00 177.39 176.19 3fey s GLN 215 N -1.95 3.88 0.07 3.23 -0.21 -0.84 -4.49 119.66 119.35 3fey s GLN 215 Ca 0.03 1.70 -0.05 0.00 0.02 0.00 0.00 55.36 57.06 3fey s GLN 215 Cb 0.07 -2.45 -0.29 0.00 1.00 0.00 0.00 33.01 31.34 3fey s GLN 215 CO 0.37 -0.43 1.13 0.28 -2.12 0.00 0.00 175.29 174.53 3fey h VAL 216 N 1.98 1.48 -4.21 1.09 2.07 -1.92 -3.42 116.25 113.32 3fey h VAL 216 Ca -0.49 -3.05 -0.56 0.00 0.82 0.00 0.00 66.70 63.43 3fey h VAL 216 Cb 1.24 2.95 -0.27 0.00 -1.52 0.00 0.00 31.29 33.69 3fey h VAL 216 CO 0.61 0.89 -0.83 0.26 0.02 0.00 0.00 177.57 178.51 3fey s TRP 217 N -2.65 1.69 -0.14 1.57 0.51 -1.26 0.42 118.94 119.08 3fey s TRP 217 Ca -0.04 -0.35 0.16 0.00 -2.12 0.00 0.00 56.10 53.75 3fey s TRP 217 Cb 0.07 -1.03 -0.07 0.00 -0.81 0.00 0.00 33.47 31.63 3fey s TRP 217 CO 0.89 0.05 1.02 1.79 -0.51 0.00 0.00 176.95 180.18 3fey h THR 218 N 4.47 0.58 -4.08 2.01 1.35 -1.67 -3.44 112.91 112.13 3fey h THR 218 Ca -0.40 -2.01 -0.55 0.00 -0.55 0.00 0.00 66.41 62.89 3fey h THR 218 Cb 1.16 2.12 0.14 0.00 -1.73 0.00 0.00 68.15 69.84 3fey h THR 218 CO 0.45 0.33 0.55 0.00 -0.25 0.00 0.00 175.52 176.60 3fey s ALA 219 N -2.96 2.56 -0.55 6.62 0.00 -1.26 -4.92 121.76 121.25 3fey s ALA 219 Ca -0.01 1.24 0.24 0.00 0.00 0.00 0.00 51.96 53.43 3fey s ALA 219 Cb 0.08 -3.55 0.33 0.00 0.00 0.00 0.00 23.12 19.99 3fey s ALA 219 CO 0.79 -1.46 1.35 -0.44 0.00 0.00 0.00 175.76 176.00 3fey h ASP 220 N 0.93 0.00 -4.46 0.00 3.32 -1.92 -3.43 116.42 110.86 3fey h ASP 220 Ca -0.51 -0.13 -0.40 0.00 0.02 0.00 0.00 57.03 56.02 3fey h ASP 220 Cb 1.32 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.64 3fey h ASP 220 CO 0.55 0.06 -0.78 -0.54 -1.72 0.00 0.00 179.24 176.82 3fey s LYS 221 N -3.20 0.79 0.00 3.56 1.02 -1.26 -2.56 119.74 118.09 3fey s LYS 221 Ca 0.06 -0.85 0.24 0.00 0.02 0.00 0.00 55.97 55.44 3fey s LYS 221 Cb 0.12 -0.77 1.03 0.00 -0.52 0.00 0.00 37.83 37.69 3fey s LYS 221 CO 0.71 0.17 1.77 -0.35 -0.92 0.00 0.00 175.35 176.74 3fey n PRO 222 N 1.52 0.02 -3.74 -1.68 -0.05 -1.26 -4.97 135.00 124.84 3fey n PRO 222 Ca -0.20 0.09 -0.21 0.00 -0.05 0.00 0.00 63.50 63.13 3fey n PRO 222 Cb 0.54 -1.50 -0.18 0.00 -0.05 0.00 0.00 33.50 32.32 3fey n PRO 222 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 175.50 174.44 3fey s HIS 223 N -2.98 0.33 0.37 0.54 3.76 -1.23 -5.13 115.29 110.95 3fey s HIS 223 Ca 0.12 0.06 -0.26 0.00 -0.15 0.00 0.00 55.06 54.84 3fey s HIS 223 Cb 0.16 -0.60 -0.09 0.00 1.11 0.00 0.00 32.58 33.16 3fey s HIS 223 CO 0.43 -0.24 1.10 -2.14 -0.85 0.00 0.00 174.74 173.05 3fey s PRO 224 N 1.96 4.25 -0.59 8.40 0.02 -1.06 -4.77 135.00 143.21 3fey s PRO 224 Ca 0.03 1.69 -0.18 0.00 0.02 0.00 0.00 61.00 62.57 3fey s PRO 224 Cb -0.12 -2.75 0.12 0.00 0.02 0.00 0.00 34.50 31.76 3fey s PRO 224 CO -0.04 -0.11 0.64 -0.65 -0.33 0.00 0.00 177.00 176.52 3fey s GLN 225 N -2.16 3.06 0.18 5.54 -1.52 -1.26 -4.81 119.66 118.70 3fey s GLN 225 Ca 0.54 -1.54 -0.16 0.00 -1.95 0.00 0.00 55.36 52.25 3fey s GLN 225 Cb -0.27 -4.30 -0.07 0.00 -0.22 0.00 0.00 33.01 28.14 3fey s GLN 225 CO 0.35 -1.45 0.61 -1.21 -0.25 0.00 0.00 175.29 173.33 3fey s GLU 226 N 2.13 4.05 0.49 2.91 2.02 -1.25 -4.74 118.70 124.31 3fey s GLU 226 Ca 0.09 0.60 -0.23 0.00 0.02 0.00 0.00 54.97 55.46 3fey s GLU 226 Cb -0.25 -2.88 -0.08 0.00 0.10 0.00 0.00 34.13 31.02 3fey s GLU 226 CO 0.04 0.43 1.11 -1.91 0.02 0.00 0.00 175.26 174.95 3fey n GLU 227 N 0.68 1.43 0.24 1.61 0.00 -1.26 -0.44 120.64 122.89 3fey n GLU 227 Ca -0.04 0.52 0.09 0.00 0.00 0.00 0.00 57.16 57.74 3fey n GLU 227 Cb 0.52 -2.24 0.60 0.00 0.00 0.00 0.00 31.44 30.32 3fey n GLU 227 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.13 177.23 3fey h TYR 228 N 1.39 0.00 0.09 4.31 -0.00 -1.06 -2.45 116.97 119.25 3fey h TYR 228 Ca -0.47 0.00 -0.33 0.00 -0.00 0.00 0.00 58.73 57.93 3fey h TYR 228 Cb 1.33 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 38.04 3fey h TYR 228 CO 0.43 0.19 -1.76 -0.07 -0.00 0.00 0.00 178.16 176.95 3fey h LEU 229 N 0.00 0.31 -0.62 0.10 3.38 -1.90 -2.79 115.31 113.78 3fey h LEU 229 Ca -0.00 -0.57 0.02 0.00 0.09 0.00 0.00 57.88 57.42 3fey h LEU 229 Cb 0.45 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3fey h LEU 229 CO 0.02 1.50 0.40 0.44 0.09 0.00 0.00 178.44 180.89 3fey h ASP 230 N 0.05 0.67 -0.27 -0.43 3.32 -1.92 -1.07 116.42 116.77 3fey h ASP 230 Ca -0.32 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.69 3fey h ASP 230 Cb 2.03 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 41.41 3fey h ASP 230 CO 0.11 0.47 0.07 0.00 -1.72 0.00 0.00 179.24 178.18 3fey h LEU 232 N 0.27 0.72 -0.80 0.00 5.85 -1.25 -2.00 115.31 118.11 3fey h LEU 232 Ca 0.09 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 3fey h LEU 232 Cb 0.28 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3fey h LEU 232 CO 0.00 0.82 0.01 -0.25 -0.34 0.00 0.00 178.44 178.68 3fey h TRP 233 N 0.69 0.98 -0.39 1.25 2.91 -1.10 0.58 115.95 120.88 3fey h TRP 233 Ca 0.13 -0.15 -0.10 0.00 1.13 0.00 0.00 58.89 59.90 3fey h TRP 233 Cb 0.49 -0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 28.86 3fey h TRP 233 CO 0.02 0.88 -0.17 0.00 -1.03 0.00 0.00 178.44 178.15 3fey h ALA 234 N 1.16 0.97 -0.37 2.65 0.00 -0.97 -0.41 119.26 122.29 3fey h ALA 234 Ca 0.16 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3fey h ALA 234 Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3fey h ALA 234 CO 0.02 0.60 0.07 1.96 0.00 0.00 0.00 179.25 181.91 3fey h GLN 235 N 0.65 0.60 -0.73 0.00 4.20 -0.87 0.53 115.11 119.50 3fey h GLN 235 Ca 0.10 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 3fey h GLN 235 Cb 0.64 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 3fey h GLN 235 CO 0.05 0.66 0.31 0.82 -0.67 0.00 0.00 178.83 179.99 3fey h ILE 236 N 0.45 1.25 -0.13 2.54 1.08 -0.80 -1.04 117.51 120.86 3fey h ILE 236 Ca 0.11 -0.75 -0.07 0.00 -0.39 0.00 0.00 64.86 63.76 3fey h ILE 236 Cb 0.34 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.46 3fey h ILE 236 CO 0.00 0.31 -0.24 1.56 -0.69 0.00 0.00 178.15 179.09 3fey h GLN 237 N 1.03 0.23 -0.07 2.37 1.08 -0.75 0.36 115.11 119.36 3fey h GLN 237 Ca 0.24 -0.07 -0.18 0.00 -1.45 0.00 0.00 58.65 57.19 3fey h GLN 237 Cb 0.19 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 3fey h GLN 237 CO -0.02 0.47 -0.75 -0.22 -0.95 0.00 0.00 178.83 177.36 3fey h LYS 238 N 0.21 0.37 -0.81 1.46 3.11 -0.51 -2.49 116.57 117.92 3fey h LYS 238 Ca 0.03 -0.32 -0.01 0.00 -2.81 0.00 0.00 60.65 57.55 3fey h LYS 238 Cb 0.55 0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.81 3fey h LYS 238 CO 0.04 0.96 0.45 1.25 -2.81 0.00 0.00 179.45 179.34 3fey h LEU 239 N 0.25 1.00 -0.45 5.20 5.85 -0.49 -2.38 115.31 124.28 3fey h LEU 239 Ca -0.03 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 3fey h LEU 239 Cb 1.32 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 3fey h LEU 239 CO 0.13 0.80 0.08 0.50 -0.34 0.00 0.00 178.44 179.61 3fey h LYS 240 N 1.12 0.75 0.00 1.25 3.64 -0.85 0.60 116.57 123.08 3fey h LYS 240 Ca 0.29 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3fey h LYS 240 Cb 0.01 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3fey h LYS 240 CO -0.05 0.76 -0.07 -0.22 -2.27 0.00 0.00 179.45 177.60 3fey h LYS 241 N 0.61 0.00 -0.71 1.90 3.64 -1.29 -1.61 116.57 119.12 3fey h LYS 241 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3fey h LYS 241 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3fey h LYS 241 CO 0.01 0.07 0.00 -0.25 -2.27 0.00 0.00 179.45 177.01 3fey n ASP 242 N -4.43 3.21 -2.29 4.20 10.43 -0.91 -4.87 116.55 121.88 3fey n ASP 242 Ca -0.03 -2.39 -0.19 0.00 2.57 0.00 0.00 54.79 54.75 3fey n ASP 242 Cb 0.15 -0.53 0.00 0.00 1.84 0.00 0.00 41.12 42.58 3fey n ASP 242 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3fey n ARG 243 N 0.39 -2.39 -2.16 -1.24 1.74 -0.60 -2.23 116.66 110.15 3fey n ARG 243 Ca 0.14 0.87 -0.20 0.00 -0.77 0.00 0.00 57.85 57.89 3fey n ARG 243 Cb 0.66 -5.43 -0.03 0.00 -1.02 0.00 0.00 32.46 26.64 3fey n ARG 243 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3fey n TRP 244 N -4.13 -0.70 -3.58 -1.55 7.02 0.16 -4.96 117.44 109.70 3fey n TRP 244 Ca -0.18 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 55.92 3fey n TRP 244 Cb 0.65 -3.79 -0.10 0.00 -2.42 0.00 0.00 31.31 25.65 3fey n TRP 244 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 3fey s GLN 245 N -4.66 4.01 0.18 -0.99 -0.21 -0.95 -4.50 119.66 112.54 3fey s GLN 245 Ca 0.00 -0.24 0.10 0.00 0.02 0.00 0.00 55.36 55.24 3fey s GLN 245 Cb 0.00 -3.61 -0.04 0.00 1.00 0.00 0.00 33.01 30.35 3fey s GLN 245 CO 0.00 -0.10 -0.21 -1.83 -2.12 0.00 0.00 175.29 171.03 3fey s GLU 246 N 1.53 1.41 -0.14 2.91 4.04 -1.26 -4.92 118.70 122.27 3fey s GLU 246 Ca 0.09 -1.47 0.15 0.00 0.04 0.00 0.00 54.97 53.78 3fey s GLU 246 Cb -0.15 -1.60 0.56 0.00 0.02 0.00 0.00 34.13 32.96 3fey s GLU 246 CO 0.09 0.34 1.47 2.89 -1.84 0.00 0.00 175.26 178.20 3fey n ARG 247 N 0.26 3.33 -0.02 -4.83 1.85 -1.26 -4.72 116.66 111.27 3fey n ARG 247 Ca -0.13 -2.74 -0.04 0.00 -1.00 0.00 0.00 57.85 53.94 3fey n ARG 247 Cb 0.57 -1.80 -0.01 0.00 -1.05 0.00 0.00 32.46 30.16 3fey n ARG 247 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 3fey n HIS 248 N 0.11 0.00 -1.75 2.89 -0.00 -1.26 -3.25 115.22 111.96 3fey n HIS 248 Ca 0.21 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.97 3fey n HIS 248 Cb 0.84 -0.14 -0.01 0.00 -0.12 0.00 0.00 29.99 30.56 3fey n HIS 248 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 3fey n ILE 249 N -3.10 1.44 -3.43 3.57 5.41 -1.26 -0.89 119.36 121.11 3fey n ILE 249 Ca -0.08 -0.36 -0.38 0.00 1.00 0.00 0.00 62.75 62.94 3fey n ILE 249 Cb 0.56 -1.92 -0.06 0.00 -0.71 0.00 0.00 39.64 37.51 3fey n ILE 249 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3fey s LEU 250 N -1.07 4.35 -0.47 1.39 1.43 -1.26 -4.60 118.68 118.46 3fey s LEU 250 Ca 0.60 0.82 0.03 0.00 -1.03 0.00 0.00 54.13 54.55 3fey s LEU 250 Cb -0.50 -2.59 0.16 0.00 0.03 0.00 0.00 46.19 43.28 3fey s LEU 250 CO 0.55 0.15 0.32 -0.13 0.23 0.00 0.00 176.35 177.48 3fey s ARG 251 N -0.12 1.27 0.60 1.70 0.52 -1.26 -4.75 118.95 116.91 3fey s ARG 251 Ca 0.23 -2.21 0.30 0.00 -0.52 0.00 0.00 55.73 53.53 3fey s ARG 251 Cb -0.15 -2.06 1.72 0.00 0.52 0.00 0.00 34.95 34.97 3fey s ARG 251 CO 0.10 -1.28 2.10 -1.35 0.02 0.00 0.00 175.30 174.90 3fey h PRO 252 N 6.10 0.00 0.00 3.54 0.11 -1.97 -1.14 132.00 138.65 3fey h PRO 252 Ca 0.13 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 3fey h PRO 252 Cb 0.89 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 3fey h PRO 252 CO 0.46 0.00 -0.01 0.10 -0.21 0.00 0.00 178.00 178.34 3fey h TYR 253 N 0.00 0.00 0.00 0.65 -0.00 -1.93 -1.55 116.97 114.13 3fey h TYR 253 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.80 3fey h TYR 253 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.21 3fey h TYR 253 CO 0.00 0.01 -0.02 -0.07 -0.00 0.00 0.00 178.16 178.08 3fey h LEU 254 N 0.00 0.00 -0.17 0.10 3.38 -1.59 0.22 115.31 117.24 3fey h LEU 254 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fey h LEU 254 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3fey h LEU 254 CO 0.00 0.02 -0.12 0.00 0.09 0.00 0.00 178.44 178.43 3fey n ALA 255 N -2.17 2.75 -1.33 1.53 0.00 -0.58 -3.63 120.51 117.08 3fey n ALA 255 Ca -0.02 -0.25 0.02 0.00 0.00 0.00 0.00 53.44 53.19 3fey n ALA 255 Cb 0.13 -1.35 0.21 0.00 0.00 0.00 0.00 19.45 18.44 3fey n ALA 255 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fey n PHE 256 N -1.07 0.78 -0.29 0.00 3.72 0.06 -4.73 117.46 115.93 3fey n PHE 256 Ca 0.13 -1.36 0.11 0.00 -0.05 0.00 0.00 57.45 56.28 3fey n PHE 256 Cb 0.28 -0.38 0.25 0.00 -0.94 0.00 0.00 39.48 38.69 3fey n PHE 256 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3fey h ASP 257 N 1.05 -0.19 -0.08 4.37 3.58 -1.62 0.14 116.42 123.68 3fey h ASP 257 Ca 0.12 0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.78 3fey h ASP 257 Cb 1.45 0.33 -0.00 0.00 1.72 0.00 0.00 39.33 42.83 3fey h ASP 257 CO 0.26 -0.20 0.04 0.28 -2.88 0.00 0.00 179.24 176.73 3fey h SER 258 N 0.14 0.10 -0.10 2.28 0.02 -1.91 -1.99 113.55 112.08 3fey h SER 258 Ca 0.52 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.32 3fey h SER 258 Cb 1.02 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 3fey h SER 258 CO -0.71 0.16 -0.14 0.40 -1.14 0.00 0.00 176.83 175.40 3fey h ILE 259 N 0.02 1.38 -0.03 3.27 5.03 -1.52 -3.21 117.51 122.45 3fey h ILE 259 Ca 0.03 -1.38 -0.09 0.00 -0.12 0.00 0.00 64.86 63.30 3fey h ILE 259 Cb 0.09 2.05 -0.01 0.00 -3.03 0.00 0.00 36.82 35.92 3fey h ILE 259 CO -0.00 0.39 -0.40 -0.07 -0.68 0.00 0.00 178.15 177.39 3fey h LEU 260 N -0.16 0.06 -1.40 1.44 4.07 -1.06 -1.78 115.31 116.48 3fey h LEU 260 Ca 0.01 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.91 3fey h LEU 260 Cb 0.70 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 3fey h LEU 260 CO 0.03 0.45 -0.18 0.00 -1.08 0.00 0.00 178.44 177.67 3fey h GLU 262 N 0.00 0.23 -7.33 0.00 4.57 -1.33 -3.47 114.58 107.26 3fey h GLU 262 Ca -0.00 -0.19 -0.51 0.00 -1.18 0.00 0.00 59.36 57.47 3fey h GLU 262 Cb 0.60 0.04 0.12 0.00 -0.16 0.00 0.00 28.75 29.36 3fey h GLU 262 CO 0.02 0.86 0.32 0.00 -1.18 0.00 0.00 179.01 179.03 3fey s ALA 263 N -3.51 2.27 -0.05 2.92 0.00 -1.03 -5.06 121.76 117.30 3fey s ALA 263 Ca -0.04 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.10 3fey s ALA 263 Cb 0.11 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 3fey s ALA 263 CO 0.81 -1.72 -0.04 -0.51 0.00 0.00 0.00 175.76 174.31 3fey s LEU 264 N -5.87 3.32 0.67 0.00 1.43 -1.26 -5.03 118.68 111.94 3fey s LEU 264 Ca 0.61 -0.00 -0.08 0.00 -1.03 0.00 0.00 54.13 53.62 3fey s LEU 264 Cb -0.16 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.29 3fey s LEU 264 CO 0.56 0.34 1.01 -1.10 0.23 0.00 0.00 176.35 177.38 3fey s GLN 265 N -1.07 2.59 0.17 1.70 -0.21 -1.25 -4.80 119.66 116.80 3fey s GLN 265 Ca 0.15 0.04 0.11 0.00 0.02 0.00 0.00 55.36 55.67 3fey s GLN 265 Cb -0.11 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 31.70 3fey s GLN 265 CO 0.04 -1.03 -0.24 -1.01 -2.12 0.00 0.00 175.29 170.93 3fey s HIS 266 N -3.21 2.33 -0.02 0.91 3.76 0.61 -4.86 115.29 114.80 3fey s HIS 266 Ca 0.58 -0.35 -0.13 0.00 -0.15 0.00 0.00 55.06 55.00 3fey s HIS 266 Cb -0.11 -1.18 -0.05 0.00 1.11 0.00 0.00 32.58 32.35 3fey s HIS 266 CO 0.47 0.46 0.35 -0.80 -0.85 0.00 0.00 174.74 174.37 3fey s ASN 267 N -2.51 6.73 0.25 1.40 0.01 -1.26 0.11 114.94 119.66 3fey s ASN 267 Ca 0.19 0.86 -0.30 0.00 -0.71 0.00 0.00 52.86 52.91 3fey s ASN 267 Cb -0.09 -2.22 -0.09 0.00 0.41 0.00 0.00 41.25 39.27 3fey s ASN 267 CO 0.09 0.34 0.97 -0.76 -1.51 0.00 0.00 177.10 176.23 3fey s LEU 268 N -1.06 4.63 0.86 0.60 1.43 -1.26 -4.96 118.68 118.92 3fey s LEU 268 Ca 0.22 2.00 -0.11 0.00 -1.03 0.00 0.00 54.13 55.21 3fey s LEU 268 Cb -0.16 -3.61 0.11 0.00 0.03 0.00 0.00 46.19 42.56 3fey s LEU 268 CO 0.11 0.11 1.14 -2.84 0.23 0.00 0.00 176.35 175.11 3fey s PRO 269 N -1.21 1.40 0.36 1.29 0.02 -1.26 -4.89 135.00 130.71 3fey s PRO 269 Ca 0.42 1.51 -0.27 0.00 0.02 0.00 0.00 61.00 62.67 3fey s PRO 269 Cb -0.27 -1.77 -0.12 0.00 0.02 0.00 0.00 34.50 32.36 3fey s PRO 269 CO 0.33 -2.34 1.23 -2.30 -0.33 0.00 0.00 177.00 173.59 3fey n PRO 270 N -3.90 1.93 -4.01 5.54 -0.02 -1.26 -4.92 135.00 128.36 3fey n PRO 270 Ca 0.12 0.68 -0.34 0.00 -2.02 0.00 0.00 63.50 61.93 3fey n PRO 270 Cb 0.52 -2.26 -0.15 0.00 -0.02 0.00 0.00 33.50 31.59 3fey n PRO 270 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3fey s PHE 271 N -1.13 2.91 -0.40 6.00 2.19 -1.26 -5.09 117.98 121.20 3fey s PHE 271 Ca 0.58 -1.39 -0.20 0.00 0.33 0.00 0.00 56.93 56.25 3fey s PHE 271 Cb -0.57 -2.02 0.01 0.00 -1.31 0.00 0.00 43.02 39.14 3fey s PHE 271 CO 0.61 -0.70 0.63 0.99 1.83 0.00 0.00 175.22 178.58 3fey s THR 272 N 1.36 4.86 0.12 0.12 2.01 -1.26 -4.83 115.64 118.02 3fey s THR 272 Ca 0.04 0.31 -0.34 0.00 0.31 0.00 0.00 61.69 62.01 3fey s THR 272 Cb -0.14 -4.14 -0.14 0.00 0.01 0.00 0.00 72.50 68.09 3fey s THR 272 CO -0.08 -0.47 1.62 -2.65 -0.69 0.00 0.00 174.62 172.36 3fey n PRO 273 N 6.15 2.15 -1.69 4.92 -0.02 -1.26 -4.86 135.00 140.40 3fey n PRO 273 Ca -0.02 0.78 -0.54 0.00 -2.02 0.00 0.00 63.50 61.70 3fey n PRO 273 Cb 0.48 -2.56 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 3fey n PRO 273 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3fey n PRO 274 N 3.92 1.46 -1.83 0.52 -0.02 -1.26 -4.90 135.00 132.90 3fey n PRO 274 Ca 0.18 0.54 -0.40 0.00 -2.02 0.00 0.00 63.50 61.80 3fey n PRO 274 Cb 0.29 -2.26 0.02 0.00 -0.02 0.00 0.00 33.50 31.53 3fey n PRO 274 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3fey s PRO 275 N 3.14 3.67 0.18 0.52 0.04 -1.26 -4.91 135.00 136.38 3fey s PRO 275 Ca 0.94 2.37 -0.33 0.00 0.04 0.00 0.00 61.00 64.02 3fey s PRO 275 Cb -0.94 -2.63 -0.15 0.00 0.04 0.00 0.00 34.50 30.82 3fey s PRO 275 CO 0.58 -0.81 1.37 1.58 0.04 0.00 0.00 177.00 179.77 3fey n HIS 276 N -0.23 1.87 -4.35 0.56 -0.00 -1.26 -5.01 115.22 106.81 3fey n HIS 276 Ca 0.05 0.49 -0.19 0.00 -0.00 0.00 0.00 57.72 58.08 3fey n HIS 276 Cb 0.42 -2.41 -0.10 0.00 -0.00 0.00 0.00 29.99 27.90 3fey n HIS 276 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 3fey s THR 277 N 0.20 1.76 0.60 3.57 -4.23 -1.26 -5.01 115.64 111.26 3fey s THR 277 Ca 0.74 -2.19 0.28 0.00 -1.18 0.00 0.00 61.69 59.34 3fey s THR 277 Cb -0.75 -2.03 0.38 0.00 1.34 0.00 0.00 72.50 71.44 3fey s THR 277 CO 0.47 -0.57 1.73 -0.08 -0.54 0.00 0.00 174.62 175.63 3fey h GLU 278 N 2.61 0.00 -0.00 3.99 4.81 -2.03 0.25 114.58 124.20 3fey h GLU 278 Ca -0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 3fey h GLU 278 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3fey h GLU 278 CO 0.61 0.00 -0.26 -0.25 -0.73 0.00 0.00 179.01 178.38 3fey n ASP 279 N -3.54 0.72 -4.79 1.04 10.43 -1.26 -4.94 116.55 114.21 3fey n ASP 279 Ca 0.12 -0.60 -0.36 0.00 2.57 0.00 0.00 54.79 56.53 3fey n ASP 279 Cb 0.91 0.08 -0.06 0.00 1.84 0.00 0.00 41.12 43.89 3fey n ASP 279 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3fey s SER 280 N -2.63 6.97 -0.08 -2.24 1.04 0.86 -5.02 113.70 112.61 3fey s SER 280 Ca 0.22 1.87 0.01 0.00 0.48 0.00 0.00 55.95 58.54 3fey s SER 280 Cb 0.19 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.76 3fey s SER 280 CO 0.55 -0.33 -0.10 -0.69 0.98 0.00 0.00 173.24 173.65 3fey s VAL 281 N -1.80 1.01 0.18 5.02 1.01 -1.26 -4.95 120.40 119.61 3fey s VAL 281 Ca 0.57 -0.36 0.10 0.00 0.00 0.00 0.00 61.98 62.28 3fey s VAL 281 Cb -0.17 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3fey s VAL 281 CO 0.22 0.34 -0.15 -0.31 0.00 0.00 0.00 175.10 175.20 3fey s TYR 282 N 1.02 2.50 0.49 5.22 1.51 -1.26 -4.82 117.35 122.01 3fey s TYR 282 Ca -0.08 -0.27 -0.22 0.00 -1.01 0.00 0.00 57.07 55.48 3fey s TYR 282 Cb -0.15 -1.23 -0.09 0.00 -0.11 0.00 0.00 41.96 40.39 3fey s TYR 282 CO -0.00 0.50 0.98 -2.30 -1.11 0.00 0.00 175.55 173.62 3fey n PRO 283 N 0.15 1.19 -2.05 -1.71 -0.02 -1.26 -4.97 135.00 126.32 3fey n PRO 283 Ca -0.12 0.44 -0.33 0.00 -2.02 0.00 0.00 63.50 61.48 3fey n PRO 283 Cb 0.56 -2.08 0.01 0.00 -0.02 0.00 0.00 33.50 31.97 3fey n PRO 283 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3fey s MET 284 N -2.26 3.34 0.93 -0.52 -1.94 -1.26 -4.91 119.30 112.69 3fey s MET 284 Ca 0.67 1.19 -0.11 0.00 -1.71 0.00 0.00 55.69 55.72 3fey s MET 284 Cb -0.50 -2.04 0.15 0.00 2.01 0.00 0.00 34.83 34.45 3fey s MET 284 CO 0.54 -0.79 1.09 -1.25 -0.01 0.00 0.00 175.02 174.60 3fey s PRO 285 N -4.10 0.95 0.12 2.03 0.04 -1.26 -5.06 135.00 127.72 3fey s PRO 285 Ca 0.63 1.00 0.02 0.00 0.04 0.00 0.00 61.00 62.70 3fey s PRO 285 Cb -0.16 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 3fey s PRO 285 CO 0.37 -2.50 -0.06 1.03 0.04 0.00 0.00 177.00 175.88 3fey s ARG 286 N -4.80 0.92 -0.05 4.56 0.52 -1.26 -4.98 118.95 113.87 3fey s ARG 286 Ca 0.65 -1.39 0.06 0.00 -0.52 0.00 0.00 55.73 54.53 3fey s ARG 286 Cb -0.20 -0.29 -0.01 0.00 0.52 0.00 0.00 34.95 34.97 3fey s ARG 286 CO 0.58 -0.02 -0.23 0.08 0.02 0.00 0.00 175.30 175.74 3fey s VAL 287 N -3.57 1.87 -0.28 3.52 1.01 -1.26 -0.39 120.40 121.30 3fey s VAL 287 Ca 0.15 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.87 3fey s VAL 287 Cb 0.05 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.86 3fey s VAL 287 CO -0.02 0.52 1.05 -0.63 0.00 0.00 0.00 175.10 176.02 3fey s ILE 288 N -0.18 4.60 0.13 2.22 -1.09 0.42 -4.90 121.20 122.39 3fey s ILE 288 Ca -0.02 1.85 -0.31 0.00 -2.23 0.00 0.00 60.65 59.94 3fey s ILE 288 Cb -0.12 -4.35 -0.08 0.00 -1.58 0.00 0.00 42.46 36.32 3fey s ILE 288 CO 0.03 -0.33 1.44 0.12 -1.23 0.00 0.00 174.94 174.96 3fey s PHE 289 N 3.41 3.19 -0.12 3.97 5.36 -1.26 -3.84 117.98 128.69 3fey s PHE 289 Ca 0.44 0.87 -0.05 0.00 -0.96 0.00 0.00 56.93 57.23 3fey s PHE 289 Cb -0.14 -3.75 0.06 0.00 -0.34 0.00 0.00 43.02 38.86 3fey s PHE 289 CO 0.11 -2.66 0.26 0.50 -1.46 0.00 0.00 175.22 171.97 3fey s ARG 290 N 1.13 0.16 0.00 10.12 6.06 -1.26 -4.98 118.95 130.18 3fey s ARG 290 Ca 0.66 0.68 0.00 0.00 -2.50 0.00 0.00 55.73 54.57 3fey s ARG 290 Cb -0.39 -0.07 0.00 0.00 0.06 0.00 0.00 34.95 34.56 3fey s ARG 290 CO 0.30 -0.25 0.00 0.00 -2.50 0.00 0.00 175.30 172.86 3fey n MET 291 N 4.99 4.02 -4.15 5.12 0.00 -1.26 -4.83 117.12 121.01 3fey n MET 291 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.27 3fey n MET 291 Cb 0.51 -0.61 -0.08 0.00 0.00 0.00 0.00 33.22 33.04 3fey n MET 291 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3fey s PHE 292 N -0.57 3.03 0.27 3.17 0.08 -1.26 -5.01 117.98 117.69 3fey s PHE 292 Ca 0.00 0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.09 3fey s PHE 292 Cb 0.00 -1.57 -0.04 0.00 -0.57 0.00 0.00 43.02 40.84 3fey s PHE 292 CO 0.00 0.48 0.18 0.16 -0.10 0.00 0.00 175.22 175.95 3fey s ASP 293 N -2.18 1.02 0.58 1.36 3.84 -1.26 -4.92 116.67 115.11 3fey s ASP 293 Ca 0.25 -1.55 0.28 0.00 -0.00 0.00 0.00 52.55 51.53 3fey s ASP 293 Cb -0.12 0.43 1.51 0.00 -1.38 0.00 0.00 42.92 43.37 3fey s ASP 293 CO 0.17 -0.92 1.97 0.10 -0.00 0.00 0.00 175.17 176.49 3fey h TYR 294 N 2.35 0.00 0.00 2.11 -0.00 -1.89 0.13 116.97 119.67 3fey h TYR 294 Ca -0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.41 3fey h TYR 294 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.97 3fey h TYR 294 CO 0.97 0.00 -0.02 1.79 -0.00 0.00 0.00 178.16 180.90 3fey h THR 295 N 0.00 0.06 0.00 -0.90 1.35 -1.96 -1.37 112.91 110.09 3fey h THR 295 Ca 0.19 -0.54 -0.01 0.00 -0.55 0.00 0.00 66.41 65.51 3fey h THR 295 Cb 0.98 1.51 -0.00 0.00 -1.73 0.00 0.00 68.15 68.90 3fey h THR 295 CO -0.00 0.02 -0.03 0.44 -0.25 0.00 0.00 175.52 175.70 3fey h ASP 296 N 0.00 0.00 -2.10 5.36 3.32 -1.15 -3.35 116.42 118.50 3fey h ASP 296 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3fey h ASP 296 Cb 0.50 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.65 3fey h ASP 296 CO 0.00 0.03 -0.95 -0.67 -1.72 0.00 0.00 179.24 175.93 3fey n ASP 297 N -3.13 2.02 0.30 6.45 2.03 -0.52 -4.96 116.55 118.75 3fey n ASP 297 Ca 0.01 -3.17 0.16 0.00 0.52 0.00 0.00 54.79 52.31 3fey n ASP 297 Cb 0.34 -0.62 0.95 0.00 -0.72 0.00 0.00 41.12 41.07 3fey n ASP 297 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3fey h PRO 298 N 3.42 0.00 0.00 -0.67 0.13 -1.70 -2.42 132.00 130.76 3fey h PRO 298 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3fey h PRO 298 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3fey h PRO 298 CO 0.62 0.01 -0.69 0.39 -0.23 0.00 0.00 178.00 178.10 3fey n GLU 299 N -3.69 0.20 -2.84 0.86 1.02 -1.26 -4.96 120.64 109.97 3fey n GLU 299 Ca -0.03 0.04 -0.21 0.00 -0.02 0.00 0.00 57.16 56.94 3fey n GLU 299 Cb 0.10 -1.60 0.08 0.00 -0.02 0.00 0.00 31.44 29.99 3fey n GLU 299 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3fey s GLY 300 N -3.45 1.75 0.64 0.62 0.00 -0.91 -5.05 107.32 100.92 3fey s GLY 300 Ca 0.07 -1.95 -0.18 0.00 0.00 0.00 0.00 44.72 42.66 3fey s GLY 300 CO 0.74 -1.46 1.29 -4.14 0.00 0.00 0.00 173.10 169.53 3fey s PRO 301 N -4.86 2.58 0.09 2.90 0.02 -1.26 -4.84 135.00 129.63 3fey s PRO 301 Ca 0.63 2.05 -0.32 0.00 0.02 0.00 0.00 61.00 63.38 3fey s PRO 301 Cb -0.06 -1.85 -0.12 0.00 0.02 0.00 0.00 34.50 32.50 3fey s PRO 301 CO 0.41 -1.57 1.80 0.28 -0.33 0.00 0.00 177.00 177.59 3fey n VAL 302 N -1.88 0.34 -2.24 3.83 0.31 -1.26 -4.35 118.33 113.07 3fey n VAL 302 Ca 0.16 -0.06 -0.42 0.00 -0.01 0.00 0.00 64.34 64.01 3fey n VAL 302 Cb 0.48 -1.96 -0.03 0.00 -0.91 0.00 0.00 33.84 31.42 3fey n VAL 302 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 3fey s MET 303 N 2.64 4.34 0.62 5.55 1.75 -1.26 -4.77 119.30 128.16 3fey s MET 303 Ca 0.83 1.98 -0.19 0.00 -1.25 0.00 0.00 55.69 57.06 3fey s MET 303 Cb -0.56 -3.35 -0.03 0.00 2.84 0.00 0.00 34.83 33.73 3fey s MET 303 CO 0.40 -0.43 1.15 -2.30 -0.65 0.00 0.00 175.02 173.19 3fey n PRO 304 N 4.30 1.07 -1.32 4.11 -0.02 -1.26 -4.52 135.00 137.35 3fey n PRO 304 Ca 0.11 0.41 -0.30 0.00 -2.02 0.00 0.00 63.50 61.71 3fey n PRO 304 Cb 0.44 -2.37 0.12 0.00 -0.02 0.00 0.00 33.50 31.67 3fey n PRO 304 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3fey s GLY 305 N -1.27 1.62 0.47 -1.23 0.00 -1.26 -4.83 107.32 100.82 3fey s GLY 305 Ca 0.79 -0.09 0.18 0.00 0.00 0.00 0.00 44.72 45.60 3fey s GLY 305 CO 0.44 0.37 1.98 1.76 0.00 0.00 0.00 173.10 177.66 3fey h SER 306 N -1.36 0.23 -0.59 1.64 0.02 -1.92 -2.59 113.55 108.98 3fey h SER 306 Ca -0.48 0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 60.23 3fey h SER 306 Cb 1.27 -0.04 -0.15 0.00 0.14 0.00 0.00 62.40 63.63 3fey h SER 306 CO 0.56 0.13 0.20 1.41 -1.14 0.00 0.00 176.83 177.99 3fey n HIS 307 N -4.45 1.88 -4.10 3.45 8.25 -1.26 -4.89 115.22 114.10 3fey n HIS 307 Ca 0.10 -1.48 -0.31 0.00 -0.26 0.00 0.00 57.72 55.78 3fey n HIS 307 Cb 0.46 -0.63 -0.07 0.00 1.12 0.00 0.00 29.99 30.87 3fey n HIS 307 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3fey s SER 308 N -1.81 5.29 0.38 0.41 1.04 -0.97 -4.01 113.70 114.03 3fey s SER 308 Ca 0.50 -0.07 0.28 0.00 0.48 0.00 0.00 55.95 57.13 3fey s SER 308 Cb 0.42 -1.36 1.20 0.00 0.10 0.00 0.00 66.02 66.39 3fey s SER 308 CO 0.07 0.19 1.83 -0.37 0.98 0.00 0.00 173.24 175.94 3fey h VAL 309 N 2.80 0.00 -0.24 5.02 -1.51 -1.89 -2.75 116.25 117.68 3fey h VAL 309 Ca -0.47 -0.29 -0.06 0.00 -1.23 0.00 0.00 66.70 64.65 3fey h VAL 309 Cb 1.17 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 31.43 3fey h VAL 309 CO 0.62 0.00 -0.06 -0.33 -1.23 0.00 0.00 177.57 176.57 3fey h GLU 310 N 0.00 0.47 -0.83 5.19 3.07 -1.94 -0.39 114.58 120.14 3fey h GLU 310 Ca 0.00 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 3fey h GLU 310 Cb 0.37 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.21 3fey h GLU 310 CO 0.00 0.70 0.52 -0.09 -1.40 0.00 0.00 179.01 178.74 3fey h ARG 311 N 0.20 1.12 -0.19 2.33 9.65 -1.71 -0.41 114.38 125.38 3fey h ARG 311 Ca 0.06 -0.09 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 3fey h ARG 311 Cb 0.53 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 3fey h ARG 311 CO 0.03 0.77 0.09 0.35 2.80 0.00 0.00 179.97 184.01 3fey h PHE 312 N 1.14 0.27 0.15 2.20 3.57 -1.42 -2.46 116.94 120.40 3fey h PHE 312 Ca 0.30 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 3fey h PHE 312 Cb -0.08 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.58 3fey h PHE 312 CO -0.01 0.28 -0.07 0.28 -2.23 0.00 0.00 178.31 176.56 3fey h VAL 313 N 0.19 0.98 -0.73 1.41 2.07 -0.51 -0.96 116.25 118.70 3fey h VAL 313 Ca 0.07 -0.68 0.14 0.00 0.82 0.00 0.00 66.70 67.05 3fey h VAL 313 Cb 0.11 1.39 -0.14 0.00 -1.52 0.00 0.00 31.29 31.13 3fey h VAL 313 CO -0.01 0.16 -0.23 0.40 0.02 0.00 0.00 177.57 177.91 3fey h ILE 314 N -0.54 0.22 -0.26 4.57 2.04 -1.16 0.17 117.51 122.55 3fey h ILE 314 Ca -0.02 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.68 3fey h ILE 314 Cb 0.42 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3fey h ILE 314 CO 0.03 0.00 -0.47 -0.33 0.00 0.00 0.00 178.15 177.39 3fey h GLU 315 N -0.04 0.77 -0.36 2.37 5.08 -1.34 -1.86 114.58 119.19 3fey h GLU 315 Ca 0.33 -0.48 0.07 0.00 -1.00 0.00 0.00 59.36 58.28 3fey h GLU 315 Cb 0.55 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 3fey h GLU 315 CO -0.76 1.11 -0.03 1.49 -1.00 0.00 0.00 179.01 179.82 3fey h GLU 316 N 0.51 0.07 -0.32 2.33 4.57 -0.59 -1.65 114.58 119.49 3fey h GLU 316 Ca 0.01 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.11 3fey h GLU 316 Cb 1.07 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.63 3fey h GLU 316 CO 0.10 0.04 -0.16 -0.91 -1.18 0.00 0.00 179.01 176.91 3fey h ASN 317 N 0.07 0.56 0.11 1.04 2.35 -0.44 -1.87 115.58 117.40 3fey h ASN 317 Ca 0.18 -0.16 -0.17 0.00 -0.55 0.00 0.00 56.30 55.59 3fey h ASN 317 Cb 0.25 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3fey h ASN 317 CO -0.32 0.74 -0.62 -0.07 -1.65 0.00 0.00 177.43 175.51 3fey h LEU 318 N 0.52 0.57 -0.95 1.61 3.38 -1.17 0.14 115.31 119.40 3fey h LEU 318 Ca 0.09 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 3fey h LEU 318 Cb 0.57 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3fey h LEU 318 CO 0.04 1.05 0.20 0.45 0.09 0.00 0.00 178.44 180.27 3fey h HIS 319 N 0.37 0.99 -0.21 1.13 3.86 -1.05 -2.23 115.15 118.00 3fey h HIS 319 Ca -0.01 -0.08 -0.15 0.00 -1.16 0.00 0.00 60.37 58.96 3fey h HIS 319 Cb 1.18 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 3fey h HIS 319 CO 0.05 0.79 -0.50 0.00 0.86 0.00 0.00 177.93 179.13 3fey h ILE 321 N 0.46 1.08 -0.38 0.00 2.04 -0.43 -1.26 117.51 119.03 3fey h ILE 321 Ca 0.02 -0.33 -0.14 0.00 1.00 0.00 0.00 64.86 65.41 3fey h ILE 321 Cb 1.03 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3fey h ILE 321 CO 0.10 0.18 -0.30 0.40 0.00 0.00 0.00 178.15 178.52 3fey h ILE 322 N 0.96 1.28 -0.89 -0.67 2.04 -1.11 -2.18 117.51 116.95 3fey h ILE 322 Ca 0.34 -1.47 0.10 0.00 1.00 0.00 0.00 64.86 64.82 3fey h ILE 322 Cb 0.08 1.38 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 3fey h ILE 322 CO -0.14 0.49 0.58 0.50 0.00 0.00 0.00 178.15 179.58 3fey h LYS 323 N 0.68 0.86 0.00 2.37 3.64 -0.98 0.21 116.57 123.35 3fey h LYS 323 Ca 0.07 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 3fey h LYS 323 Cb 0.88 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 3fey h LYS 323 CO 0.08 0.57 -0.64 0.77 -2.27 0.00 0.00 179.45 177.96 3fey h SER 324 N 0.88 0.00 0.00 4.20 0.02 -0.91 -3.38 113.55 114.37 3fey h SER 324 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 3fey h SER 324 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3fey h SER 324 CO -0.18 0.64 -0.05 1.41 -1.14 0.00 0.00 176.83 177.51 3fey n HIS 325 N -3.62 0.00 0.24 3.45 8.25 -0.85 -4.84 115.22 117.86 3fey n HIS 325 Ca -0.01 -0.39 0.11 0.00 -0.26 0.00 0.00 57.72 57.17 3fey n HIS 325 Cb 0.67 -0.05 0.71 0.00 1.12 0.00 0.00 29.99 32.43 3fey n HIS 325 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 3fey h TRP 326 N 0.00 0.00 0.00 4.41 5.08 -0.78 -1.43 115.95 123.23 3fey h TRP 326 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3fey h TRP 326 Cb 0.80 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.96 3fey h TRP 326 CO 0.01 0.00 0.00 0.87 -1.28 0.00 0.00 178.44 178.04 3fey h LYS 327 N 0.00 0.00 -3.11 0.12 1.57 -1.88 -3.39 116.57 109.88 3fey h LYS 327 Ca 0.03 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.19 3fey h LYS 327 Cb 0.11 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.02 3fey h LYS 327 CO -0.00 0.00 -0.70 -1.83 -0.57 0.00 0.00 179.45 176.35 3fey s GLU 328 N -3.36 1.51 0.30 3.15 1.03 -0.54 -5.02 118.70 115.78 3fey s GLU 328 Ca 0.05 -2.20 -0.00 0.00 0.03 0.00 0.00 54.97 52.84 3fey s GLU 328 Cb 0.09 -2.65 0.48 0.00 -0.80 0.00 0.00 34.13 31.25 3fey s GLU 328 CO 0.51 -1.14 1.90 0.07 -1.33 0.00 0.00 175.26 175.27 3fey h ARG 329 N 6.66 0.87 -0.01 -4.83 0.11 -1.76 0.26 114.38 115.68 3fey h ARG 329 Ca -0.03 -0.12 -0.00 0.00 0.10 0.00 0.00 59.98 59.93 3fey h ARG 329 Cb 0.92 -0.16 -0.00 0.00 1.11 0.00 0.00 29.97 31.83 3fey h ARG 329 CO 0.55 0.68 0.00 0.87 0.10 0.00 0.00 179.97 182.17 3fey h LYS 330 N 0.86 0.01 -0.49 0.08 1.57 -1.95 0.30 116.57 116.95 3fey h LYS 330 Ca 0.21 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3fey h LYS 330 Cb 0.12 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 3fey h LYS 330 CO -0.03 0.18 0.32 1.15 -0.57 0.00 0.00 179.45 180.50 3fey h THR 331 N -0.16 1.12 0.06 -0.16 2.02 -1.83 -1.05 112.91 112.91 3fey h THR 331 Ca 0.00 -0.22 0.02 0.00 0.77 0.00 0.00 66.41 66.98 3fey h THR 331 Cb 0.17 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 3fey h THR 331 CO -0.00 0.12 -0.20 0.00 0.37 0.00 0.00 175.52 175.81 3fey h ALA 333 N 0.50 1.25 -0.40 0.00 0.00 -0.73 -1.94 119.26 117.93 3fey h ALA 333 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3fey h ALA 333 Cb 0.40 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3fey h ALA 333 CO -0.15 0.37 0.17 0.00 0.00 0.00 0.00 179.25 179.63 3fey h ALA 334 N 1.41 0.52 -0.50 0.00 0.00 -0.61 -1.99 119.26 118.09 3fey h ALA 334 Ca 0.39 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 3fey h ALA 334 Cb 0.13 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3fey h ALA 334 CO -0.16 0.12 0.09 1.96 0.00 0.00 0.00 179.25 181.26 3fey h GLN 335 N 0.51 0.77 -0.17 0.00 1.08 -0.74 -1.85 115.11 114.71 3fey h GLN 335 Ca 0.13 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.14 3fey h GLN 335 Cb 0.18 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 3fey h GLN 335 CO -0.01 0.72 0.01 -0.07 -0.95 0.00 0.00 178.83 178.53 3fey h LEU 336 N 0.74 0.29 -1.26 1.46 4.07 -1.13 -2.96 115.31 116.52 3fey h LEU 336 Ca 0.16 -0.29 -0.06 0.00 0.08 0.00 0.00 57.88 57.77 3fey h LEU 336 Cb 0.32 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 3fey h LEU 336 CO 0.00 0.51 -0.27 0.58 -1.08 0.00 0.00 178.44 178.19 3fey h VAL 337 N 0.06 0.75 -0.51 1.22 2.07 -1.13 -2.67 116.25 116.04 3fey h VAL 337 Ca 0.05 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.43 3fey h VAL 337 Cb 0.36 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3fey h VAL 337 CO 0.01 0.26 0.00 -1.54 0.02 0.00 0.00 177.57 176.32 3fey n SER 338 N -3.58 3.19 -4.68 0.57 3.41 -0.72 -4.94 113.62 106.88 3fey n SER 338 Ca -0.01 -2.14 -0.42 0.00 -0.26 0.00 0.00 58.87 56.04 3fey n SER 338 Cb 0.41 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 3fey n SER 338 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3fey s TYR 339 N -1.49 1.89 0.40 7.33 5.04 -1.01 -4.98 117.35 124.53 3fey s TYR 339 Ca 0.36 -0.13 0.05 0.00 -2.44 0.00 0.00 57.07 54.92 3fey s TYR 339 Cb 0.21 -4.17 0.00 0.00 0.35 0.00 0.00 41.96 38.35 3fey s TYR 339 CO 0.22 -4.97 0.57 -1.25 -1.34 0.00 0.00 175.55 168.77 3fey s PRO 340 N 3.33 2.97 0.22 4.97 0.04 -1.26 -5.10 135.00 140.17 3fey s PRO 340 Ca 0.82 -0.93 -0.22 0.00 0.04 0.00 0.00 61.00 60.71 3fey s PRO 340 Cb -0.44 -2.71 0.04 0.00 0.04 0.00 0.00 34.50 31.43 3fey s PRO 340 CO 0.37 -0.18 0.67 0.20 0.04 0.00 0.00 177.00 178.10 3fey s GLY 341 N -4.25 -0.34 0.20 0.56 0.00 -1.26 -4.96 107.32 97.26 3fey s GLY 341 Ca 0.49 0.08 -0.05 0.00 0.00 0.00 0.00 44.72 45.24 3fey s GLY 341 CO 0.34 0.03 1.58 1.70 0.00 0.00 0.00 173.10 176.75 3fey h LYS 342 N 2.00 0.77 -5.63 2.90 3.64 -1.22 -3.45 116.57 115.59 3fey h LYS 342 Ca -0.26 -0.35 -0.52 0.00 -1.27 0.00 0.00 60.65 58.25 3fey h LYS 342 Cb 1.28 -0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 32.94 3fey h LYS 342 CO 0.30 0.97 -0.68 -0.80 -2.27 0.00 0.00 179.45 176.97 3fey s ASN 343 N -6.79 2.97 0.26 4.20 0.01 -1.20 -5.00 114.94 109.38 3fey s ASN 343 Ca -0.09 -1.17 -0.30 0.00 -0.71 0.00 0.00 52.86 50.59 3fey s ASN 343 Cb 0.12 -0.21 -0.10 0.00 0.41 0.00 0.00 41.25 41.48 3fey s ASN 343 CO 0.85 -0.28 1.33 -0.54 -1.51 0.00 0.00 177.10 176.95 3fey s LYS 344 N -3.69 4.36 0.08 -0.60 1.02 -1.26 -5.01 119.74 114.64 3fey s LYS 344 Ca 0.29 2.16 0.01 0.00 0.02 0.00 0.00 55.97 58.46 3fey s LYS 344 Cb 0.03 -3.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.17 3fey s LYS 344 CO 0.12 -0.25 -0.06 0.96 -0.92 0.00 0.00 175.35 175.20 3fey s ILE 345 N -0.39 0.59 -1.29 2.17 -4.36 -1.26 -4.77 121.20 111.89 3fey s ILE 345 Ca 0.54 -1.74 -0.18 0.00 -0.26 0.00 0.00 60.65 59.01 3fey s ILE 345 Cb -0.39 -1.44 0.04 0.00 1.25 0.00 0.00 42.46 41.92 3fey s ILE 345 CO 0.45 -0.79 1.84 -0.81 0.24 0.00 0.00 174.94 175.86 3fey n PRO 346 N 0.28 2.88 -0.25 0.37 -0.04 -1.26 -4.82 135.00 132.15 3fey n PRO 346 Ca -0.15 -3.03 -0.03 0.00 -0.04 0.00 0.00 63.50 60.26 3fey n PRO 346 Cb 0.60 -3.48 0.08 0.00 -0.04 0.00 0.00 33.50 30.66 3fey n PRO 346 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3fey h LEU 347 N 12.96 0.73 -1.47 1.53 5.85 -1.97 -1.81 115.31 131.11 3fey h LEU 347 Ca 0.43 0.00 0.09 0.00 0.84 0.00 0.00 57.88 59.24 3fey h LEU 347 Cb 0.84 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 3fey h LEU 347 CO 1.50 0.50 0.46 0.78 -0.34 0.00 0.00 178.44 181.34 3fey h ASN 348 N 0.86 0.54 -0.24 1.25 2.35 -1.98 0.12 115.58 118.49 3fey h ASN 348 Ca 0.29 0.01 -0.20 0.00 -0.55 0.00 0.00 56.30 55.85 3fey h ASN 348 Cb 0.04 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.31 3fey h ASN 348 CO -0.12 0.33 -0.64 1.88 -1.65 0.00 0.00 177.43 177.24 3fey h TYR 349 N 0.61 1.10 -0.55 1.19 -1.99 -1.75 -2.71 116.97 112.86 3fey h TYR 349 Ca 0.31 -0.43 -0.08 0.00 2.00 0.00 0.00 58.73 60.54 3fey h TYR 349 Cb 0.43 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 38.95 3fey h TYR 349 CO -0.00 1.26 0.04 0.45 -0.00 0.00 0.00 178.16 179.92 3fey h HIS 350 N 0.62 1.02 -0.29 4.88 3.86 -0.93 -0.52 115.15 123.78 3fey h HIS 350 Ca -0.01 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.02 3fey h HIS 350 Cb 1.26 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.44 3fey h HIS 350 CO 0.08 0.91 0.13 0.82 0.86 0.00 0.00 177.93 180.73 3fey h ILE 351 N 0.83 1.17 -0.38 2.45 2.04 -0.87 -1.43 117.51 121.32 3fey h ILE 351 Ca 0.16 -0.49 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 3fey h ILE 351 Cb 0.48 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3fey h ILE 351 CO 0.02 0.17 -0.16 0.58 0.00 0.00 0.00 178.15 178.76 3fey h VAL 352 N 0.32 1.26 -0.50 1.67 2.07 -1.36 -2.13 116.25 117.59 3fey h VAL 352 Ca 0.10 -1.21 -0.13 0.00 0.82 0.00 0.00 66.70 66.28 3fey h VAL 352 Cb 0.15 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3fey h VAL 352 CO -0.01 0.40 -0.19 -0.08 0.02 0.00 0.00 177.57 177.72 3fey h GLU 353 N 0.63 1.00 -0.36 1.57 4.81 -0.89 -2.61 114.58 118.74 3fey h GLU 353 Ca 0.10 -0.41 -0.15 0.00 -0.13 0.00 0.00 59.36 58.77 3fey h GLU 353 Cb 0.62 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3fey h GLU 353 CO 0.04 1.09 -0.36 0.28 -0.73 0.00 0.00 179.01 179.33 3fey h VAL 354 N 0.87 1.28 -0.26 0.32 2.07 -1.08 0.14 116.25 119.58 3fey h VAL 354 Ca 0.12 -1.54 0.03 0.00 0.82 0.00 0.00 66.70 66.13 3fey h VAL 354 Cb 0.76 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 3fey h VAL 354 CO 0.06 0.51 0.07 0.40 0.02 0.00 0.00 177.57 178.63 3fey h ILE 355 N 0.67 0.90 -0.17 4.57 2.04 -1.41 -0.33 117.51 123.79 3fey h ILE 355 Ca 0.06 -0.06 -0.12 0.00 1.00 0.00 0.00 64.86 65.73 3fey h ILE 355 Cb 0.95 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3fey h ILE 355 CO 0.09 0.03 -0.41 -0.26 0.00 0.00 0.00 178.15 177.60 3fey h PHE 356 N 0.18 0.46 -0.64 1.37 0.04 -1.30 -0.55 116.94 116.50 3fey h PHE 356 Ca 0.12 -0.13 0.09 0.00 2.80 0.00 0.00 57.97 60.85 3fey h PHE 356 Cb 0.11 -0.10 -0.07 0.00 2.20 0.00 0.00 35.95 38.09 3fey h PHE 356 CO -0.15 0.74 0.29 0.00 -0.60 0.00 0.00 178.31 178.59 3fey h ALA 357 N 1.25 0.85 -0.06 2.45 0.00 -0.45 -0.58 119.26 122.71 3fey h ALA 357 Ca 0.03 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3fey h ALA 357 Cb 0.86 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3fey h ALA 357 CO 0.07 -0.11 -0.03 0.93 0.00 0.00 0.00 179.25 180.11 3fey h GLU 358 N 0.51 0.12 -0.66 0.00 5.08 -0.22 -2.45 114.58 116.95 3fey h GLU 358 Ca 0.31 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 3fey h GLU 358 Cb 0.34 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3fey h GLU 358 CO -0.27 0.49 0.39 1.25 -1.00 0.00 0.00 179.01 179.87 3fey h LEU 359 N -0.26 0.80 -1.24 1.33 5.85 -0.95 -2.92 115.31 117.91 3fey h LEU 359 Ca 0.01 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3fey h LEU 359 Cb 0.46 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3fey h LEU 359 CO 0.01 0.62 0.00 0.49 -0.34 0.00 0.00 178.44 179.22 3fey n PHE 360 N -4.39 0.11 -1.84 1.25 3.72 -0.24 -4.60 117.46 111.46 3fey n PHE 360 Ca 0.07 -0.05 -0.41 0.00 -0.05 0.00 0.00 57.45 57.00 3fey n PHE 360 Cb 0.08 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.60 3fey n PHE 360 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 3fey s GLN 361 N -1.89 4.16 -0.09 -1.08 0.74 -0.92 -4.85 119.66 115.72 3fey s GLN 361 Ca 0.35 2.50 -0.02 0.00 0.05 0.00 0.00 55.36 58.25 3fey s GLN 361 Cb 0.20 -3.04 -0.03 0.00 1.10 0.00 0.00 33.01 31.24 3fey s GLN 361 CO 0.31 -0.56 -0.01 -0.51 -0.55 0.00 0.00 175.29 173.97 3fey s LEU 362 N -0.67 3.52 0.16 3.68 1.43 -1.26 -2.30 118.68 123.24 3fey s LEU 362 Ca 0.61 0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 53.74 3fey s LEU 362 Cb -0.46 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 43.98 3fey s LEU 362 CO 0.49 0.36 1.47 -0.65 0.23 0.00 0.00 176.35 178.24 3fey h PRO 363 N 5.33 0.74 -3.51 1.29 0.11 -1.92 -3.47 132.00 130.56 3fey h PRO 363 Ca -0.49 -0.44 -0.12 0.00 0.11 0.00 0.00 66.00 65.06 3fey h PRO 363 Cb 1.19 0.04 -0.19 0.00 0.11 0.00 0.00 31.00 32.16 3fey h PRO 363 CO 0.55 1.07 -0.42 0.00 -0.21 0.00 0.00 178.00 178.99 3fey s ALA 364 N -4.14 -0.37 0.77 -0.75 0.00 -0.97 -4.74 121.76 111.56 3fey s ALA 364 Ca -0.09 -0.20 -0.13 0.00 0.00 0.00 0.00 51.96 51.54 3fey s ALA 364 Cb 0.11 0.21 0.06 0.00 0.00 0.00 0.00 23.12 23.50 3fey s ALA 364 CO 0.86 -0.30 1.16 -2.14 0.00 0.00 0.00 175.76 175.34 3fey s PRO 365 N -2.10 1.99 0.49 0.00 0.02 -1.24 -4.73 135.00 129.42 3fey s PRO 365 Ca -0.09 1.56 0.17 0.00 0.02 0.00 0.00 61.00 62.66 3fey s PRO 365 Cb -0.03 -1.84 1.19 0.00 0.02 0.00 0.00 34.50 33.84 3fey s PRO 365 CO -0.01 -1.91 2.08 -1.35 -0.33 0.00 0.00 177.00 175.47 3fey h PRO 366 N -0.75 0.00 -4.81 5.54 0.11 -1.95 -3.45 132.00 126.69 3fey h PRO 366 Ca -0.46 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.35 3fey h PRO 366 Cb 1.27 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.24 3fey h PRO 366 CO 0.49 0.09 -0.65 -1.01 -0.21 0.00 0.00 178.00 176.71 3fey s HIS 367 N -4.79 1.28 0.06 0.65 3.76 -1.26 -5.11 115.29 109.89 3fey s HIS 367 Ca -0.04 -1.06 -0.37 0.00 -0.15 0.00 0.00 55.06 53.43 3fey s HIS 367 Cb 0.16 -0.73 -0.17 0.00 1.11 0.00 0.00 32.58 32.95 3fey s HIS 367 CO 0.67 -0.25 1.35 1.51 -0.85 0.00 0.00 174.74 177.17 3fey n ILE 368 N -0.29 0.02 -0.31 0.60 3.06 -1.26 -4.84 119.36 116.34 3fey n ILE 368 Ca -0.05 -0.00 0.15 0.00 -2.50 0.00 0.00 62.75 60.35 3fey n ILE 368 Cb 0.64 -0.81 0.33 0.00 0.54 0.00 0.00 39.64 40.33 3fey n ILE 368 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 3fey h ASP 369 N 4.65 0.20 0.36 9.51 5.19 -1.98 -1.56 116.42 132.79 3fey h ASP 369 Ca -0.48 0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 56.10 3fey h ASP 369 Cb 1.34 0.20 -0.00 0.00 0.18 0.00 0.00 39.33 41.05 3fey h ASP 369 CO 0.78 -0.10 -0.07 1.62 -3.12 0.00 0.00 179.24 178.34 3fey h VAL 370 N 0.29 0.39 -0.73 -1.35 3.04 -2.02 -2.63 116.25 113.25 3fey h VAL 370 Ca 0.59 -0.40 -0.03 0.00 -1.01 0.00 0.00 66.70 65.85 3fey h VAL 370 Cb 1.20 1.28 -0.03 0.00 -2.01 0.00 0.00 31.29 31.73 3fey h VAL 370 CO -0.61 0.07 0.33 -0.03 -1.01 0.00 0.00 177.57 176.33 3fey h MET 371 N 0.00 1.06 -0.47 4.17 -1.53 -1.63 -2.18 114.93 114.35 3fey h MET 371 Ca -0.00 -0.17 0.02 0.00 -3.44 0.00 0.00 59.70 56.11 3fey h MET 371 Cb 0.27 -0.18 -0.02 0.00 -0.55 0.00 0.00 31.60 31.11 3fey h MET 371 CO 0.01 0.85 0.31 1.88 0.14 0.00 0.00 176.91 180.10 3fey h TYR 372 N 1.03 0.54 -0.06 1.39 0.05 -1.62 0.22 116.97 118.52 3fey h TYR 372 Ca 0.25 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.03 3fey h TYR 372 Cb 0.15 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 37.71 3fey h TYR 372 CO 0.01 0.33 -0.00 1.15 -1.05 0.00 0.00 178.16 178.60 3fey h THR 373 N 0.57 1.26 -0.08 -2.88 2.02 -1.51 -2.08 112.91 110.21 3fey h THR 373 Ca 0.18 -0.79 -0.16 0.00 0.77 0.00 0.00 66.41 66.40 3fey h THR 373 Cb 0.03 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3fey h THR 373 CO -0.04 0.22 -0.66 0.71 0.37 0.00 0.00 175.52 176.11 3fey h THR 374 N -0.20 1.38 -0.22 3.16 1.35 -1.21 -2.33 112.91 114.84 3fey h THR 374 Ca 0.02 -2.05 0.03 0.00 -0.55 0.00 0.00 66.41 63.85 3fey h THR 374 Cb 0.35 2.04 -0.03 0.00 -1.73 0.00 0.00 68.15 68.78 3fey h THR 374 CO 0.00 0.61 0.04 0.25 -0.25 0.00 0.00 175.52 176.18 3fey h LEU 375 N 0.24 0.01 -1.28 3.87 6.46 -0.59 -0.20 115.31 123.82 3fey h LEU 375 Ca -0.02 0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 57.70 3fey h LEU 375 Cb 1.20 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.17 3fey h LEU 375 CO 0.11 0.03 -0.35 -0.07 -0.62 0.00 0.00 178.44 177.54 3fey h LEU 376 N 0.12 0.01 -0.52 2.25 3.38 -1.22 -0.85 115.31 118.48 3fey h LEU 376 Ca 0.10 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3fey h LEU 376 Cb 0.10 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3fey h LEU 376 CO -0.13 0.36 -0.04 0.40 0.09 0.00 0.00 178.44 179.12 3fey h ILE 377 N 0.01 1.27 -0.67 1.22 2.04 -0.98 -1.61 117.51 118.78 3fey h ILE 377 Ca -0.00 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 64.64 3fey h ILE 377 Cb 0.63 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 3fey h ILE 377 CO 0.05 0.41 0.21 -0.33 0.00 0.00 0.00 178.15 178.49 3fey h GLU 378 N 0.82 1.03 -0.34 2.37 4.39 -0.18 -2.07 114.58 120.61 3fey h GLU 378 Ca 0.14 -0.21 -0.12 0.00 0.34 0.00 0.00 59.36 59.52 3fey h GLU 378 Cb 0.58 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3fey h GLU 378 CO 0.03 0.88 -0.27 -0.07 -1.16 0.00 0.00 179.01 178.43 3fey h LEU 379 N 0.99 0.70 -1.01 1.33 3.38 -1.07 -1.16 115.31 118.47 3fey h LEU 379 Ca 0.22 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3fey h LEU 379 Cb 0.28 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3fey h LEU 379 CO -0.01 0.94 0.22 0.00 0.09 0.00 0.00 178.44 179.68 3fey h LYS 381 N 0.91 0.89 -0.23 0.00 1.57 -1.12 -3.02 116.57 115.57 3fey h LYS 381 Ca 0.21 -0.41 -0.07 0.00 -1.87 0.00 0.00 60.65 58.50 3fey h LYS 381 Cb 0.22 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3fey h LYS 381 CO -0.01 1.06 -0.14 1.25 -0.57 0.00 0.00 179.45 181.03 3fey h LEU 382 N 0.75 0.52 -5.88 2.94 5.85 -0.97 -3.34 115.31 115.19 3fey h LEU 382 Ca 0.08 -0.43 -0.64 0.00 0.84 0.00 0.00 57.88 57.73 3fey h LEU 382 Cb 0.86 -0.15 -0.39 0.00 0.37 0.00 0.00 40.66 41.36 3fey h LEU 382 CO 0.08 0.84 -0.27 0.00 -0.34 0.00 0.00 178.44 178.75 3fey n GLN 383 N -4.48 3.41 0.26 1.25 1.13 -0.17 -4.89 117.38 113.89 3fey n GLN 383 Ca -0.04 -4.75 0.15 0.00 -1.94 0.00 0.00 57.00 50.41 3fey n GLN 383 Cb 0.37 -2.30 0.60 0.00 0.11 0.00 0.00 30.24 29.01 3fey n GLN 383 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 3fey h PRO 384 N 3.79 0.00 0.00 -1.09 0.13 -1.66 -1.67 132.00 131.50 3fey h PRO 384 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 3fey h PRO 384 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 3fey h PRO 384 CO 0.92 0.07 -0.22 0.41 -0.23 0.00 0.00 178.00 178.95 3fey n GLY 385 N 0.10 -1.56 0.00 1.56 0.00 -1.26 -4.57 105.19 99.46 3fey n GLY 385 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3fey n GLY 385 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fey n SER 386 N -2.05 0.00 0.11 1.61 3.41 -1.07 -4.94 113.62 110.70 3fey n SER 386 Ca 0.05 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.48 3fey n SER 386 Cb 0.41 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.23 3fey n SER 386 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3fey h LEU 387 N 0.00 0.54 -1.45 1.04 7.12 -1.55 -3.32 115.31 117.69 3fey h LEU 387 Ca 0.00 -0.56 0.01 0.00 0.13 0.00 0.00 57.88 57.46 3fey h LEU 387 Cb 0.00 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 39.93 3fey h LEU 387 CO 0.00 1.43 0.37 -0.65 -0.13 0.00 0.00 178.44 179.46 3fey h PRO 388 N 0.11 0.73 -0.57 5.25 0.11 -1.81 -1.43 132.00 134.39 3fey h PRO 388 Ca -0.16 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.81 3fey h PRO 388 Cb 1.98 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.91 3fey h PRO 388 CO 0.22 0.49 -0.03 1.96 -0.21 0.00 0.00 178.00 180.42 3fey h GLN 389 N 0.76 1.03 -0.93 1.05 7.50 -1.93 -0.16 115.11 122.43 3fey h GLN 389 Ca 0.21 -0.34 -0.01 0.00 0.50 0.00 0.00 58.65 59.01 3fey h GLN 389 Cb -0.08 -0.08 -0.04 0.00 0.05 0.00 0.00 27.48 27.32 3fey h GLN 389 CO -0.05 1.03 0.55 0.28 -1.50 0.00 0.00 178.83 179.15 3fey h VAL 390 N 0.91 1.26 -0.06 -0.54 2.07 -1.55 -1.39 116.25 116.95 3fey h VAL 390 Ca 0.16 -0.58 -0.16 0.00 0.82 0.00 0.00 66.70 66.94 3fey h VAL 390 Cb 0.59 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3fey h VAL 390 CO 0.04 0.28 -0.68 0.25 0.02 0.00 0.00 177.57 177.47 3fey h LEU 391 N 1.29 0.31 -0.11 2.57 5.85 -0.68 -0.36 115.31 124.18 3fey h LEU 391 Ca 0.33 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 3fey h LEU 391 Cb -0.04 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 3fey h LEU 391 CO -0.06 0.90 -0.05 0.00 -0.34 0.00 0.00 178.44 178.89 3fey h ALA 392 N 1.10 0.15 -0.40 1.25 0.00 -0.90 -1.36 119.26 119.10 3fey h ALA 392 Ca -0.02 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.71 3fey h ALA 392 Cb 1.22 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 3fey h ALA 392 CO 0.11 -0.08 0.09 0.37 0.00 0.00 0.00 179.25 179.74 3fey h GLN 393 N -0.13 0.22 -0.86 0.00 4.15 -1.18 -0.58 115.11 116.74 3fey h GLN 393 Ca 0.03 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.46 3fey h GLN 393 Cb 0.49 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.08 3fey h GLN 393 CO 0.01 0.15 0.57 0.00 -1.93 0.00 0.00 178.83 177.63 3fey h ALA 394 N 1.30 1.43 -0.44 3.38 0.00 -0.87 -1.33 119.26 122.74 3fey h ALA 394 Ca 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3fey h ALA 394 Cb 0.22 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3fey h ALA 394 CO -0.24 0.49 0.14 1.15 0.00 0.00 0.00 179.25 180.80 3fey h THR 395 N 1.11 1.22 -0.29 0.00 2.02 -0.56 -0.06 112.91 116.35 3fey h THR 395 Ca 0.33 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 3fey h THR 395 Cb -0.03 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3fey h THR 395 CO -0.09 0.26 0.08 -0.08 0.37 0.00 0.00 175.52 176.05 3fey h GLU 396 N 0.57 0.41 -0.13 6.66 4.57 -0.27 -1.45 114.58 124.94 3fey h GLU 396 Ca 0.14 -0.06 -0.18 0.00 -1.18 0.00 0.00 59.36 58.09 3fey h GLU 396 Cb 0.25 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 28.77 3fey h GLU 396 CO -0.01 0.38 -0.61 0.52 -1.18 0.00 0.00 179.01 178.11 3fey h MET 397 N 0.41 0.65 -0.71 1.92 2.86 -0.82 -2.46 114.93 116.78 3fey h MET 397 Ca 0.10 -0.52 -0.02 0.00 -2.06 0.00 0.00 59.70 57.20 3fey h MET 397 Cb 0.15 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 3fey h MET 397 CO -0.01 1.14 0.39 -0.07 1.06 0.00 0.00 176.91 179.42 3fey h LEU 398 N 0.32 0.89 -0.06 1.22 3.38 -0.66 -2.69 115.31 117.71 3fey h LEU 398 Ca -0.04 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.86 3fey h LEU 398 Cb 1.25 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 3fey h LEU 398 CO 0.13 0.74 -0.10 0.22 0.09 0.00 0.00 178.44 179.52 3fey h TYR 399 N 0.98 -0.25 0.00 1.13 3.20 -1.28 -2.68 116.97 118.08 3fey h TYR 399 Ca 0.25 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.13 3fey h TYR 399 Cb 0.05 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.44 3fey h TYR 399 CO -0.00 -0.15 0.00 0.52 -1.64 0.00 0.00 178.16 176.89 3fey h MET 400 N -0.14 0.00 -0.37 1.82 2.86 -1.15 -1.44 114.93 116.51 3fey h MET 400 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3fey h MET 400 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 3fey h MET 400 CO -0.14 0.00 0.00 0.54 1.06 0.00 0.00 176.91 178.37 3fey n ARG 401 N -2.69 3.29 0.02 1.72 1.74 -1.03 -4.64 116.66 115.07 3fey n ARG 401 Ca 0.00 -2.75 0.16 0.00 -0.77 0.00 0.00 57.85 54.49 3fey n ARG 401 Cb 0.20 -1.80 0.63 0.00 -1.02 0.00 0.00 32.46 30.46 3fey n ARG 401 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3fey h LEU 402 N 2.43 0.10 -1.32 0.55 -0.00 -1.01 -3.30 115.31 112.76 3fey h LEU 402 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 57.98 3fey h LEU 402 Cb 1.39 -0.02 -0.06 0.00 -0.00 0.00 0.00 40.66 41.97 3fey h LEU 402 CO 0.22 0.06 0.53 0.44 -0.00 0.00 0.00 178.44 179.69 3fey h ASP 403 N 0.11 0.68 -0.22 -0.43 3.32 -1.84 -2.26 116.42 115.78 3fey h ASP 403 Ca 0.21 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3fey h ASP 403 Cb 0.70 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3fey h ASP 403 CO -0.02 0.40 0.00 0.35 -1.72 0.00 0.00 179.24 178.25 3fey n THR 404 N -4.51 1.57 -2.18 0.35 -2.24 -1.24 -4.93 114.28 101.10 3fey n THR 404 Ca 0.14 -1.47 -0.42 0.00 -2.27 0.00 0.00 64.05 60.03 3fey n THR 404 Cb 0.33 0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 3fey n THR 404 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3fey s MET 405 N -1.89 4.33 0.23 -0.78 0.00 -0.85 -1.82 119.30 118.53 3fey s MET 405 Ca 0.28 2.07 -0.31 0.00 0.00 0.00 0.00 55.69 57.72 3fey s MET 405 Cb 0.20 -3.24 -0.13 0.00 0.00 0.00 0.00 34.83 31.66 3fey s MET 405 CO 0.09 -0.40 1.50 -1.71 0.00 0.00 0.00 175.02 174.50 3fey n ASN 406 N 3.72 3.14 -0.30 1.11 2.85 0.17 -4.80 115.26 121.14 3fey n ASN 406 Ca 0.10 1.13 0.14 0.00 -0.11 0.00 0.00 54.58 55.84 3fey n ASN 406 Cb 0.42 -1.47 0.31 0.00 1.24 0.00 0.00 39.78 40.28 3fey n ASN 406 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3fey h THR 407 N 3.27 0.41 -0.42 -0.44 2.02 -1.91 -0.38 112.91 115.45 3fey h THR 407 Ca -0.45 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 3fey h THR 407 Cb 1.26 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 3fey h THR 407 CO 0.80 0.06 0.20 0.74 0.37 0.00 0.00 175.52 177.69 3fey h THR 408 N 0.32 1.18 -0.32 3.16 2.02 -1.90 -1.84 112.91 115.54 3fey h THR 408 Ca 0.57 -0.51 -0.08 0.00 0.77 0.00 0.00 66.41 67.16 3fey h THR 408 Cb 1.12 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3fey h THR 408 CO -0.58 0.19 -0.15 0.00 0.37 0.00 0.00 175.52 175.36 3fey h VAL 410 N 0.52 1.25 -0.20 0.00 2.07 -0.46 -0.59 116.25 118.84 3fey h VAL 410 Ca 0.09 -0.75 0.05 0.00 0.82 0.00 0.00 66.70 66.91 3fey h VAL 410 Cb 0.56 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 3fey h VAL 410 CO 0.04 0.31 -0.17 0.44 0.02 0.00 0.00 177.57 178.21 3fey h ASP 411 N 1.12 -0.53 -0.73 0.57 5.19 -1.16 0.01 116.42 120.89 3fey h ASP 411 Ca 0.27 0.11 0.02 0.00 -0.62 0.00 0.00 57.03 56.80 3fey h ASP 411 Cb 0.16 0.26 -0.04 0.00 0.18 0.00 0.00 39.33 39.90 3fey h ASP 411 CO -0.03 -0.21 0.48 0.03 -3.12 0.00 0.00 179.24 176.40 3fey h ARG 412 N -0.17 0.92 -0.48 3.56 -0.00 -1.30 -0.31 114.38 116.60 3fey h ARG 412 Ca 0.12 -0.06 -0.12 0.00 -0.50 0.00 0.00 59.98 59.42 3fey h ARG 412 Cb 0.35 -0.21 -0.01 0.00 0.00 0.00 0.00 29.97 30.10 3fey h ARG 412 CO -0.30 0.61 -0.18 0.35 0.00 0.00 0.00 179.97 180.44 3fey h PHE 413 N 0.94 1.10 -0.31 3.04 3.57 -0.61 0.41 116.94 125.10 3fey h PHE 413 Ca 0.28 -0.26 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3fey h PHE 413 Cb -0.04 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 3fey h PHE 413 CO -0.00 1.07 0.07 0.82 -2.23 0.00 0.00 178.31 178.04 3fey h ILE 414 N 0.82 1.22 -0.15 1.41 2.04 -0.57 -0.94 117.51 121.34 3fey h ILE 414 Ca 0.11 -0.76 -0.15 0.00 1.00 0.00 0.00 64.86 65.06 3fey h ILE 414 Cb 0.75 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 3fey h ILE 414 CO 0.06 0.25 -0.54 0.78 0.00 0.00 0.00 178.15 178.70 3fey h ASN 415 N 0.33 0.50 -0.02 1.72 2.35 -0.93 -2.74 115.58 116.79 3fey h ASN 415 Ca 0.10 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 3fey h ASN 415 Cb 0.31 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 3fey h ASN 415 CO 0.00 0.95 -0.01 -0.25 -1.65 0.00 0.00 177.43 176.47 3fey h TRP 416 N 0.35 0.05 -0.50 1.19 7.01 -0.80 -2.88 115.95 120.38 3fey h TRP 416 Ca 0.01 -0.01 -0.11 0.00 2.11 0.00 0.00 58.89 60.88 3fey h TRP 416 Cb 1.06 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 28.10 3fey h TRP 416 CO 0.04 0.43 -0.13 0.35 -2.79 0.00 0.00 178.44 176.34 3fey h PHE 417 N -0.35 1.09 -0.37 2.65 3.57 -1.16 0.14 116.94 122.51 3fey h PHE 417 Ca 0.01 -0.24 -0.13 0.00 3.53 0.00 0.00 57.97 61.14 3fey h PHE 417 Cb 0.42 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3fey h PHE 417 CO 0.06 1.04 -0.27 0.66 -2.23 0.00 0.00 178.31 177.57 3fey h SER 418 N 0.82 0.88 -0.43 0.41 4.64 -1.60 -0.08 113.55 118.20 3fey h SER 418 Ca 0.12 -0.44 -0.07 0.00 -0.47 0.00 0.00 61.79 60.93 3fey h SER 418 Cb 0.70 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 3fey h SER 418 CO 0.05 1.13 -0.00 -0.74 -0.87 0.00 0.00 176.83 176.40 3fey h HIS 419 N 0.64 0.84 -0.16 4.77 -0.00 -1.27 -1.42 115.15 118.55 3fey h HIS 419 Ca 0.07 -0.15 0.04 0.00 -0.00 0.00 0.00 60.37 60.34 3fey h HIS 419 Cb 0.85 -0.22 -0.05 0.00 -0.00 0.00 0.00 27.41 27.99 3fey h HIS 419 CO 0.06 0.82 -0.13 1.25 -0.00 0.00 0.00 177.93 179.93 3fey h HIS 420 N 0.61 -0.33 -0.49 5.26 6.17 -0.61 -2.32 115.15 123.43 3fey h HIS 420 Ca 0.12 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.25 3fey h HIS 420 Cb 0.49 0.17 -0.03 0.00 2.52 0.00 0.00 27.41 30.57 3fey h HIS 420 CO 0.04 -0.20 0.33 -0.07 0.71 0.00 0.00 177.93 178.74 3fey h LEU 421 N -0.15 0.51 -2.22 0.26 3.38 -0.80 -0.76 115.31 115.53 3fey h LEU 421 Ca 0.10 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3fey h LEU 421 Cb 0.30 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3fey h LEU 421 CO -0.25 0.36 -0.05 0.77 0.09 0.00 0.00 178.44 179.37 3fey h SER 422 N 0.60 0.00 0.73 -0.43 4.64 -0.68 0.29 113.55 118.70 3fey h SER 422 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3fey h SER 422 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3fey h SER 422 CO -0.05 0.05 -0.04 0.59 -0.87 0.00 0.00 176.83 176.51 3fey n ASN 423 N -3.36 0.08 -2.61 4.97 3.02 -0.30 -4.16 115.26 112.90 3fey n ASN 423 Ca -0.02 0.09 -0.13 0.00 -0.03 0.00 0.00 54.58 54.48 3fey n ASN 423 Cb 0.18 -0.32 0.02 0.00 -0.61 0.00 0.00 39.78 39.05 3fey n ASN 423 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3fey n PHE 424 N -1.36 1.73 -1.27 3.10 3.72 0.38 -4.94 117.46 118.83 3fey n PHE 424 Ca 0.11 -2.85 -0.10 0.00 -0.05 0.00 0.00 57.45 54.56 3fey n PHE 424 Cb 0.29 -0.30 -0.04 0.00 -0.94 0.00 0.00 39.48 38.49 3fey n PHE 424 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3fey n GLN 425 N -0.19 -1.28 -1.72 -1.08 6.02 -1.20 -1.51 117.38 116.43 3fey n GLN 425 Ca 0.17 0.61 -0.13 0.00 -0.01 0.00 0.00 57.00 57.64 3fey n GLN 425 Cb 0.78 -4.77 -0.04 0.00 1.02 0.00 0.00 30.24 27.24 3fey n GLN 425 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3fey n PHE 426 N -1.67 -0.24 -2.27 1.08 3.72 0.73 -4.94 117.46 113.87 3fey n PHE 426 Ca -0.10 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.87 3fey n PHE 426 Cb 0.35 -2.53 -0.02 0.00 -0.94 0.00 0.00 39.48 36.33 3fey n PHE 426 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3fey s ARG 427 N -3.70 3.99 -0.12 -1.08 0.52 -0.57 -4.98 118.95 113.01 3fey s ARG 427 Ca 0.00 1.61 -0.29 0.00 -0.52 0.00 0.00 55.73 56.53 3fey s ARG 427 Cb 0.00 -3.91 0.07 0.00 0.52 0.00 0.00 34.95 31.63 3fey s ARG 427 CO 0.00 -1.03 0.69 -0.46 0.02 0.00 0.00 175.30 174.52 3fey s TRP 428 N 4.36 -0.70 -1.25 -0.53 -0.11 -1.26 -5.02 118.94 114.44 3fey s TRP 428 Ca 0.63 1.38 -0.15 0.00 1.22 0.00 0.00 56.10 59.18 3fey s TRP 428 Cb -0.23 0.37 0.14 0.00 -1.50 0.00 0.00 33.47 32.24 3fey s TRP 428 CO 0.24 -0.54 1.57 0.43 -4.62 0.00 0.00 176.95 174.03 3fey n SER 429 N 1.47 5.10 -0.23 5.86 7.64 -1.26 -4.86 113.62 127.33 3fey n SER 429 Ca -0.17 -2.96 0.03 0.00 1.01 0.00 0.00 58.87 56.78 3fey n SER 429 Cb 0.56 -1.63 0.28 0.00 -1.01 0.00 0.00 64.21 62.41 3fey n SER 429 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 3fey h TRP 430 N 7.19 0.92 -0.04 1.43 4.06 -1.98 -1.84 115.95 125.69 3fey h TRP 430 Ca 0.37 0.02 0.01 0.00 2.06 0.00 0.00 58.89 61.35 3fey h TRP 430 Cb 0.86 -0.31 -0.00 0.00 -1.00 0.00 0.00 29.16 28.71 3fey h TRP 430 CO 1.22 0.52 0.06 1.05 -3.56 0.00 0.00 178.44 177.73 3fey h GLU 431 N 0.94 0.00 0.00 0.49 9.09 -2.01 0.67 114.58 123.76 3fey h GLU 431 Ca 0.32 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.73 3fey h GLU 431 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 3fey h GLU 431 CO -0.10 0.00 0.00 -0.44 0.05 0.00 0.00 179.01 178.52 3fey h ASP 432 N 0.00 0.00 -0.29 3.06 3.45 -1.75 -2.27 116.42 118.62 3fey h ASP 432 Ca 0.02 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.42 3fey h ASP 432 Cb 0.14 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.87 3fey h ASP 432 CO -0.00 0.00 -0.00 0.79 -1.57 0.00 0.00 179.24 178.46 3fey n TRP 433 N -2.66 1.00 0.05 4.55 8.01 0.23 -4.65 117.44 123.97 3fey n TRP 433 Ca -0.02 -1.10 0.08 0.00 -1.31 0.00 0.00 57.50 55.15 3fey n TRP 433 Cb 0.06 -0.37 0.52 0.00 -2.01 0.00 0.00 31.31 29.51 3fey n TRP 433 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.69 177.45 3fey h SER 434 N 1.50 0.29 -1.46 -0.99 0.02 -1.45 -2.26 113.55 109.20 3fey h SER 434 Ca 0.07 -0.00 0.44 0.00 -0.84 0.00 0.00 61.79 61.46 3fey h SER 434 Cb 1.52 -0.07 -0.10 0.00 0.14 0.00 0.00 62.40 63.90 3fey h SER 434 CO 0.28 0.20 1.00 -2.24 -1.14 0.00 0.00 176.83 174.93 3fey h ASP 435 N 0.33 0.15 1.00 3.07 -0.00 -1.85 0.20 116.42 119.32 3fey h ASP 435 Ca 0.15 0.07 0.00 0.00 -0.00 0.00 0.00 57.03 57.25 3fey h ASP 435 Cb 0.18 0.06 0.00 0.00 -0.00 0.00 0.00 39.33 39.56 3fey h ASP 435 CO -0.03 -0.07 0.00 0.00 -0.00 0.00 0.00 179.24 179.13 3fey h LEU 437 N 0.00 0.00 -3.06 0.00 3.38 -0.80 -3.07 115.31 111.77 3fey h LEU 437 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fey h LEU 437 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3fey h LEU 437 CO 0.00 0.17 0.00 -1.54 0.09 0.00 0.00 178.44 177.16 3fey n SER 438 N -3.33 3.30 -4.93 -0.43 3.41 -1.22 -4.98 113.62 105.44 3fey n SER 438 Ca 0.00 -2.48 -0.26 0.00 -0.26 0.00 0.00 58.87 55.88 3fey n SER 438 Cb 0.40 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 3fey n SER 438 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3fey s GLN 439 N -1.85 3.52 -0.14 4.33 -0.21 -1.16 -5.04 119.66 119.12 3fey s GLN 439 Ca 0.31 -0.28 -0.39 0.00 0.02 0.00 0.00 55.36 55.02 3fey s GLN 439 Cb 0.22 -2.72 -0.16 0.00 1.00 0.00 0.00 33.01 31.35 3fey s GLN 439 CO 0.12 0.25 1.61 -3.47 -2.12 0.00 0.00 175.29 171.68 3fey n ASP 440 N -1.28 2.21 0.24 5.90 -0.08 -1.26 -4.81 116.55 117.47 3fey n ASP 440 Ca -0.04 1.08 0.12 0.00 -1.51 0.00 0.00 54.79 54.44 3fey n ASP 440 Cb 0.55 -1.17 0.66 0.00 2.34 0.00 0.00 41.12 43.49 3fey n ASP 440 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3fey h PRO 441 N 6.40 0.00 0.00 -0.67 0.11 -1.96 0.18 132.00 136.07 3fey h PRO 441 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3fey h PRO 441 Cb 1.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 3fey h PRO 441 CO 0.90 0.00 -0.58 0.93 -0.21 0.00 0.00 178.00 179.03 3fey h GLU 442 N 0.00 0.00 -7.18 1.05 5.08 -1.96 -3.31 114.58 108.26 3fey h GLU 442 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 3fey h GLU 442 Cb 0.42 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.74 3fey h GLU 442 CO 0.00 0.05 0.38 -1.54 -1.00 0.00 0.00 179.01 176.90 3fey s SER 443 N -5.80 5.54 0.30 1.42 1.04 0.05 -4.79 113.70 111.47 3fey s SER 443 Ca 0.03 1.93 0.06 0.00 0.48 0.00 0.00 55.95 58.44 3fey s SER 443 Cb 0.07 -2.55 0.76 0.00 0.10 0.00 0.00 66.02 64.41 3fey s SER 443 CO 0.74 -1.33 1.76 -0.65 0.98 0.00 0.00 173.24 174.74 3fey h PRO 444 N 0.40 0.67 0.27 4.02 0.11 -1.90 -2.41 132.00 133.16 3fey h PRO 444 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3fey h PRO 444 Cb 1.23 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3fey h PRO 444 CO 0.56 0.44 -0.13 0.87 -0.21 0.00 0.00 178.00 179.53 3fey h LYS 445 N 0.69 -0.35 -0.13 1.05 1.57 -1.91 0.20 116.57 117.68 3fey h LYS 445 Ca 0.59 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 59.33 3fey h LYS 445 Cb 0.98 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 3fey h LYS 445 CO -0.41 -0.02 -0.20 -1.00 -0.57 0.00 0.00 179.45 177.25 3fey h PRO 446 N -0.72 0.22 -0.15 3.15 0.13 -1.77 -1.47 132.00 131.39 3fey h PRO 446 Ca -0.04 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 3fey h PRO 446 Cb 0.49 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 3fey h PRO 446 CO 0.06 0.42 0.08 -0.22 -0.23 0.00 0.00 178.00 178.11 3fey h LYS 447 N 0.20 0.22 -0.85 0.86 3.64 -1.35 -1.65 116.57 117.65 3fey h LYS 447 Ca 0.04 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 3fey h LYS 447 Cb 0.47 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.19 3fey h LYS 447 CO 0.03 0.24 0.53 0.35 -2.27 0.00 0.00 179.45 178.33 3fey h PHE 448 N 0.14 1.00 -0.44 1.91 3.57 -0.16 -1.21 116.94 121.74 3fey h PHE 448 Ca 0.05 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.44 3fey h PHE 448 Cb 0.09 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 3fey h PHE 448 CO -0.04 0.54 -0.27 0.28 -2.23 0.00 0.00 178.31 176.59 3fey h VAL 449 N 1.01 1.27 -0.06 1.41 2.07 -1.12 0.33 116.25 121.16 3fey h VAL 449 Ca 0.35 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 3fey h VAL 449 Cb 0.08 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3fey h VAL 449 CO -0.14 0.49 0.04 0.03 0.02 0.00 0.00 177.57 178.01 3fey h ARG 450 N 0.81 0.08 -0.53 1.57 3.08 -1.00 -1.84 114.38 116.55 3fey h ARG 450 Ca 0.09 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 3fey h ARG 450 Cb 0.86 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 3fey h ARG 450 CO 0.08 0.10 0.18 0.93 -1.07 0.00 0.00 179.97 180.19 3fey h GLU 451 N 0.04 0.79 -0.37 0.04 4.39 -1.00 -1.94 114.58 116.52 3fey h GLU 451 Ca 0.02 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 3fey h GLU 451 Cb 0.04 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 3fey h GLU 451 CO -0.00 0.67 0.10 0.28 -1.16 0.00 0.00 179.01 178.90 3fey h VAL 452 N 0.77 1.22 -0.34 3.13 2.07 -0.75 -1.34 116.25 121.00 3fey h VAL 452 Ca 0.18 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 66.90 3fey h VAL 452 Cb 0.21 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3fey h VAL 452 CO -0.01 0.25 -0.11 -0.07 0.02 0.00 0.00 177.57 177.65 3fey h LEU 453 N 0.45 0.57 0.04 2.57 3.38 -1.02 0.10 115.31 121.41 3fey h LEU 453 Ca 0.12 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3fey h LEU 453 Cb 0.28 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3fey h LEU 453 CO -0.00 0.72 -0.02 -0.08 0.09 0.00 0.00 178.44 179.14 3fey h GLU 454 N 0.54 -0.05 -0.86 1.13 4.81 -1.26 -1.21 114.58 117.69 3fey h GLU 454 Ca 0.10 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.42 3fey h GLU 454 Cb 0.51 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.83 3fey h GLU 454 CO 0.03 0.07 0.51 0.87 -0.73 0.00 0.00 179.01 179.76 3fey h LYS 455 N -0.17 0.84 -0.20 1.92 1.79 -0.92 -0.99 116.57 118.83 3fey h LYS 455 Ca -0.01 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.34 3fey h LYS 455 Cb 0.15 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 3fey h LYS 455 CO 0.01 0.55 -0.18 0.00 -1.08 0.00 0.00 179.45 178.75 3fey h MET 457 N 0.32 0.69 0.00 0.00 1.85 -0.46 -2.08 114.93 115.25 3fey h MET 457 Ca 0.06 -0.36 -0.03 0.00 -0.61 0.00 0.00 59.70 58.75 3fey h MET 457 Cb 0.51 0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.55 3fey h MET 457 CO 0.03 0.97 -0.14 0.00 -0.40 0.00 0.00 176.91 177.38 3fey h ARG 458 N 0.57 0.00 -0.01 0.39 3.08 -0.65 -1.25 114.38 116.50 3fey h ARG 458 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3fey h ARG 458 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 3fey h ARG 458 CO 0.09 0.14 -0.12 1.28 -1.07 0.00 0.00 179.97 180.29 3fey n LEU 459 N -3.74 1.42 0.00 3.04 4.77 -0.92 -4.86 117.00 116.71 3fey n LEU 459 Ca -0.02 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 3fey n LEU 459 Cb 0.25 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3fey n LEU 459 CO 0.31 0.25 0.00 -1.54 -1.33 0.00 0.00 177.39 175.08 3fey n SER 460 N -0.09 0.00 -3.53 -1.43 3.41 -0.50 -5.09 113.62 106.39 3fey n SER 460 Ca 0.16 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.69 3fey n SER 460 Cb 0.37 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 3fey n SER 460 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3fey s TYR 461 N 1.22 -0.28 0.15 7.33 1.13 -1.05 -4.97 117.35 120.87 3fey s TYR 461 Ca 0.00 0.17 -0.27 0.00 -1.41 0.00 0.00 57.07 55.56 3fey s TYR 461 Cb 0.00 0.53 -0.02 0.00 -1.10 0.00 0.00 41.96 41.38 3fey s TYR 461 CO 0.00 -0.45 1.58 1.25 -2.51 0.00 0.00 175.55 175.42 3fey h HIS 462 N 2.00 -1.18 -0.89 -3.49 -0.00 -1.96 -2.48 115.15 107.15 3fey h HIS 462 Ca -0.19 0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.24 3fey h HIS 462 Cb 1.22 0.56 -0.04 0.00 -0.00 0.00 0.00 27.41 29.15 3fey h HIS 462 CO 0.26 -0.45 0.53 0.37 -0.00 0.00 0.00 177.93 178.64 3fey h GLN 463 N -0.39 1.20 -0.32 5.26 5.75 -1.99 -2.34 115.11 122.29 3fey h GLN 463 Ca 0.11 -0.11 0.07 0.00 -0.15 0.00 0.00 58.65 58.57 3fey h GLN 463 Cb 0.59 -0.25 -0.08 0.00 1.07 0.00 0.00 27.48 28.81 3fey h GLN 463 CO -0.49 0.85 -0.33 -0.09 -2.65 0.00 0.00 178.83 176.11 3fey h ARG 464 N 1.22 -0.29 -0.11 1.69 1.12 -1.87 -0.44 114.38 115.69 3fey h ARG 464 Ca 0.32 0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 59.20 3fey h ARG 464 Cb -0.04 0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 29.98 3fey h ARG 464 CO -0.06 -0.19 0.06 0.82 -3.11 0.00 0.00 179.97 177.49 3fey h ILE 465 N -0.30 1.09 -0.85 1.20 1.08 -1.33 -1.48 117.51 116.91 3fey h ILE 465 Ca 0.15 -0.24 0.18 0.00 -0.39 0.00 0.00 64.86 64.56 3fey h ILE 465 Cb 0.54 1.04 -0.06 0.00 -3.07 0.00 0.00 36.82 35.27 3fey h ILE 465 CO -0.48 0.08 0.56 -0.07 -0.69 0.00 0.00 178.15 177.55 3fey h LEU 466 N 0.09 0.41 -0.55 1.44 -0.00 -1.17 -2.25 115.31 113.28 3fey h LEU 466 Ca 0.04 0.03 -0.13 0.00 -0.00 0.00 0.00 57.88 57.83 3fey h LEU 466 Cb 0.07 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 40.67 3fey h LEU 466 CO -0.01 0.18 -0.60 0.44 -0.00 0.00 0.00 178.44 178.45 3fey h ASP 467 N 0.42 0.00 0.99 -0.43 3.32 -0.09 -3.34 116.42 117.30 3fey h ASP 467 Ca 0.43 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.47 3fey h ASP 467 Cb 1.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 3fey h ASP 467 CO -0.15 0.60 -1.01 0.16 -1.72 0.00 0.00 179.24 177.11 3fey h ILE 468 N 0.00 0.04 -3.48 0.35 3.07 -0.74 -3.47 117.51 113.28 3fey h ILE 468 Ca -0.01 -1.08 -0.50 0.00 1.55 0.00 0.00 64.86 64.82 3fey h ILE 468 Cb 1.21 1.55 0.01 0.00 -0.27 0.00 0.00 36.82 39.32 3fey h ILE 468 CO 0.08 0.02 0.02 0.68 -1.05 0.00 0.00 178.15 177.91 3fey s VAL 469 N -3.33 4.90 0.67 0.16 -7.23 -1.14 -4.98 120.40 109.45 3fey s VAL 469 Ca -0.01 0.32 -0.16 0.00 -1.81 0.00 0.00 61.98 60.32 3fey s VAL 469 Cb 0.09 -3.76 0.01 0.00 0.56 0.00 0.00 36.38 33.28 3fey s VAL 469 CO 0.79 -0.53 1.19 -2.84 -0.31 0.00 0.00 175.10 173.40 3fey s PRO 470 N -3.96 2.54 0.34 4.82 0.02 -1.26 -4.87 135.00 132.62 3fey s PRO 470 Ca 0.48 1.72 0.13 0.00 0.02 0.00 0.00 61.00 63.35 3fey s PRO 470 Cb -0.10 -1.89 1.01 0.00 0.02 0.00 0.00 34.50 33.54 3fey s PRO 470 CO 0.34 -1.52 1.70 -1.35 -0.33 0.00 0.00 177.00 175.83 3fey h PRO 471 N 0.17 0.42 0.00 5.54 0.11 -1.96 0.13 132.00 136.41 3fey h PRO 471 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3fey h PRO 471 Cb 1.29 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3fey h PRO 471 CO 0.52 0.28 0.00 0.25 -0.21 0.00 0.00 178.00 178.84 3fey n THR 472 N -4.95 1.07 0.23 -1.15 -2.24 -1.26 -2.30 114.28 103.67 3fey n THR 472 Ca 0.30 0.27 0.10 0.00 -2.27 0.00 0.00 64.05 62.44 3fey n THR 472 Cb 0.89 -1.11 0.19 0.00 -2.10 0.00 0.00 70.33 68.20 3fey n THR 472 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3fey n PHE 473 N -1.39 0.45 -0.16 4.78 3.01 0.46 -4.56 117.46 120.05 3fey n PHE 473 Ca 0.03 -0.26 0.08 0.00 1.01 0.00 0.00 57.45 58.31 3fey n PHE 473 Cb 0.09 -0.00 0.40 0.00 -0.01 0.00 0.00 39.48 39.96 3fey n PHE 473 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3fey h SER 474 N 3.81 0.57 0.30 4.37 0.02 -1.55 0.25 113.55 121.32 3fey h SER 474 Ca 0.00 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3fey h SER 474 Cb 0.88 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 3fey h SER 474 CO 0.00 0.36 -0.10 0.00 -1.14 0.00 0.00 176.83 175.95 3fey h ALA 475 N 1.64 1.33 0.00 3.77 0.00 -1.84 -2.22 119.26 121.94 3fey h ALA 475 Ca 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3fey h ALA 475 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3fey h ALA 475 CO -0.10 0.12 -0.68 1.28 0.00 0.00 0.00 179.25 179.87 3fey n LEU 476 N -3.68 0.64 -4.74 0.00 4.77 0.83 -4.92 117.00 109.90 3fey n LEU 476 Ca -0.02 -0.13 -0.34 0.00 -0.03 0.00 0.00 56.01 55.49 3fey n LEU 476 Cb 0.21 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 3fey n LEU 476 CO 0.29 0.15 0.79 0.00 -1.33 0.00 0.00 177.39 177.29 3fey s PRO 478 N -3.80 3.53 0.76 0.00 0.04 -1.26 -5.03 135.00 129.23 3fey s PRO 478 Ca 0.73 0.87 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 3fey s PRO 478 Cb -0.27 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.25 3fey s PRO 478 CO 0.41 -0.63 1.12 0.00 0.04 0.00 0.00 177.00 177.94 3fey s ALA 479 N -2.98 2.17 -0.04 8.56 0.00 -1.26 -4.96 121.76 123.26 3fey s ALA 479 Ca 0.57 0.48 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 3fey s ALA 479 Cb -0.12 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 3fey s ALA 479 CO 0.48 -1.81 1.47 1.21 0.00 0.00 0.00 175.76 177.11 3fey s ASN 480 N -2.86 6.80 -0.60 0.00 2.47 -1.26 -4.88 114.94 114.62 3fey s ASN 480 Ca 0.65 2.10 -0.06 0.00 0.42 0.00 0.00 52.86 55.97 3fey s ASN 480 Cb -0.21 -2.55 -0.15 0.00 -1.45 0.00 0.00 41.25 36.89 3fey s ASN 480 CO 0.51 -0.80 2.85 -0.81 -3.72 0.00 0.00 177.10 175.13 3fey n PRO 481 N 6.10 2.26 -3.03 0.43 -0.04 -1.26 -4.88 135.00 134.58 3fey n PRO 481 Ca 0.15 -1.30 -0.26 0.00 -0.04 0.00 0.00 63.50 62.04 3fey n PRO 481 Cb 0.43 -2.24 -0.01 0.00 -0.04 0.00 0.00 33.50 31.64 3fey n PRO 481 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3fey s THR 482 N 1.96 4.99 0.41 0.52 -4.23 -1.26 -4.72 115.64 113.32 3fey s THR 482 Ca 0.56 -0.04 -0.01 0.00 -1.18 0.00 0.00 61.69 61.02 3fey s THR 482 Cb 0.21 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 3fey s THR 482 CO -0.02 -0.64 0.64 0.00 -0.54 0.00 0.00 174.62 174.06 3fey s ILE 484 N -2.49 3.50 -0.34 0.00 1.01 0.15 -5.04 121.20 117.98 3fey s ILE 484 Ca 0.44 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 60.21 3fey s ILE 484 Cb -0.10 -2.76 -0.00 0.00 0.01 0.00 0.00 42.46 39.61 3fey s ILE 484 CO 0.39 0.18 0.20 -0.47 0.00 0.00 0.00 174.94 175.24 3fey s TYR 485 N 1.44 3.21 0.45 3.97 6.04 -1.26 -4.39 117.35 126.81 3fey s TYR 485 Ca 0.02 -0.53 0.14 0.00 0.04 0.00 0.00 57.07 56.75 3fey s TYR 485 Cb -0.16 -2.43 1.03 0.00 -1.04 0.00 0.00 41.96 39.36 3fey s TYR 485 CO -0.01 -0.47 2.02 -0.22 -1.54 0.00 0.00 175.55 175.33 3fey h LYS 486 N 8.44 0.05 -0.48 4.97 3.64 -1.96 -2.67 116.57 128.56 3fey h LYS 486 Ca -0.30 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 58.90 3fey h LYS 486 Cb 1.14 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.85 3fey h LYS 486 CO 0.64 0.17 0.10 0.66 -2.27 0.00 0.00 179.45 178.75 3fey n TYR 487 N -4.37 1.55 0.00 1.91 4.02 -1.26 -4.94 117.16 114.08 3fey n TYR 487 Ca -0.02 -1.33 0.00 0.00 -0.01 0.00 0.00 57.90 56.54 3fey n TYR 487 Cb 0.21 -0.53 0.00 0.00 -0.02 0.00 0.00 39.34 39.00 3fey n TYR 487 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fey n GLY 488 N -0.74 -3.43 0.92 2.72 0.00 -1.01 -4.79 105.19 98.86 3fey n GLY 488 Ca 0.34 -0.80 0.08 0.00 0.00 0.00 0.00 46.02 45.65 3fey n GLY 488 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fey n ASP 489 N 0.00 2.67 -4.61 1.61 8.00 -1.26 -4.86 116.55 118.10 3fey n ASP 489 Ca 0.00 -1.98 -0.43 0.00 0.71 0.00 0.00 54.79 53.09 3fey n ASP 489 Cb 0.00 -0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 40.76 3fey n ASP 489 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3fey s GLU 490 N -1.36 3.58 0.00 -1.24 2.12 -1.26 -4.80 118.70 115.74 3fey s GLU 490 Ca 0.34 1.45 0.00 0.00 0.36 0.00 0.00 54.97 57.12 3fey s GLU 490 Cb 0.18 -4.09 0.00 0.00 0.26 0.00 0.00 34.13 30.47 3fey s GLU 490 CO 0.24 -1.55 0.00 0.43 -0.54 0.00 0.00 175.26 173.83 3fey n SER 491 N 9.20 0.00 -3.82 -1.70 7.64 -1.26 -4.53 113.62 119.15 3fey n SER 491 Ca 0.20 -0.15 -0.42 0.00 1.01 0.00 0.00 58.87 59.51 3fey n SER 491 Cb 0.46 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.67 3fey n SER 491 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3fey n SER 492 N 0.96 6.32 0.03 6.43 2.88 -1.26 -4.71 113.62 124.27 3fey n SER 492 Ca 0.00 -3.30 0.06 0.00 -1.33 0.00 0.00 58.87 54.30 3fey n SER 492 Cb 0.00 -1.35 0.27 0.00 -0.75 0.00 0.00 64.21 62.39 3fey n SER 492 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3fey n ASN 493 N 2.11 0.14 -0.30 -3.46 3.02 -1.26 -2.51 115.26 113.00 3fey n ASN 493 Ca 0.39 0.55 0.13 0.00 -0.03 0.00 0.00 54.58 55.62 3fey n ASN 493 Cb 0.32 -0.57 0.33 0.00 -0.61 0.00 0.00 39.78 39.24 3fey n ASN 493 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3fey n SER 494 N -1.67 1.22 -4.76 6.41 3.41 -1.26 -4.77 113.62 112.20 3fey n SER 494 Ca 0.02 -1.03 -0.39 0.00 -0.26 0.00 0.00 58.87 57.21 3fey n SER 494 Cb 0.12 0.18 0.01 0.00 -0.26 0.00 0.00 64.21 64.26 3fey n SER 494 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fey s LEU 495 N -2.46 4.06 0.30 1.04 1.43 -1.04 -4.94 118.68 117.06 3fey s LEU 495 Ca 0.24 2.64 -0.30 0.00 -1.03 0.00 0.00 54.13 55.69 3fey s LEU 495 Cb 0.19 -4.08 -0.11 0.00 0.03 0.00 0.00 46.19 42.22 3fey s LEU 495 CO 0.51 -1.10 1.50 -2.84 0.23 0.00 0.00 176.35 174.66 3fey s PRO 496 N -2.55 4.19 0.00 1.29 0.02 -1.26 -2.26 135.00 134.43 3fey s PRO 496 Ca 0.63 2.45 0.00 0.00 0.02 0.00 0.00 61.00 64.10 3fey s PRO 496 Cb -0.37 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.10 3fey s PRO 496 CO 0.46 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 177.04 3fey n GLY 497 N 1.76 0.44 0.23 0.52 0.00 -1.26 -4.91 105.19 101.98 3fey n GLY 497 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 3fey n GLY 497 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3fey h HIS 498 N 0.00 -0.16 0.00 1.61 2.76 -1.75 0.85 115.15 118.46 3fey h HIS 498 Ca 0.00 0.05 -0.15 0.00 -2.20 0.00 0.00 60.37 58.07 3fey h HIS 498 Cb 0.22 0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 3fey h HIS 498 CO 0.14 -0.21 -0.72 0.66 -1.30 0.00 0.00 177.93 176.50 3fey h SER 499 N 0.06 0.00 -0.78 3.26 4.64 -1.88 -2.26 113.55 116.59 3fey h SER 499 Ca 0.30 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.58 3fey h SER 499 Cb 0.48 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 3fey h SER 499 CO -0.56 0.72 0.31 0.58 -0.87 0.00 0.00 176.83 177.01 3fey h VAL 500 N 0.00 1.26 -0.69 0.95 2.07 -1.78 -1.99 116.25 116.06 3fey h VAL 500 Ca -0.01 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 3fey h VAL 500 Cb 1.32 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3fey h VAL 500 CO 0.09 0.34 0.39 0.00 0.02 0.00 0.00 177.57 178.41 3fey h ALA 501 N 1.16 1.39 -0.36 1.67 0.00 -0.44 -0.83 119.26 121.86 3fey h ALA 501 Ca 0.26 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3fey h ALA 501 Cb 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3fey h ALA 501 CO -0.02 0.51 0.03 -0.07 0.00 0.00 0.00 179.25 179.71 3fey h LEU 502 N 0.96 0.59 -0.53 0.00 -0.00 -1.11 -1.46 115.31 113.77 3fey h LEU 502 Ca 0.25 -0.28 0.03 0.00 -0.00 0.00 0.00 57.88 57.88 3fey h LEU 502 Cb 0.00 -0.16 -0.04 0.00 -0.00 0.00 0.00 40.66 40.47 3fey h LEU 502 CO -0.04 0.72 0.30 0.00 -0.00 0.00 0.00 178.44 179.42 3fey h LEU 504 N 0.59 -0.23 0.03 0.00 3.38 -0.99 0.17 115.31 118.27 3fey h LEU 504 Ca 0.22 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.25 3fey h LEU 504 Cb 0.06 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3fey h LEU 504 CO -0.12 -0.12 -0.24 0.00 0.09 0.00 0.00 178.44 178.05 3fey h ALA 505 N 0.82 -0.35 -0.70 1.53 0.00 -1.00 0.13 119.26 119.69 3fey h ALA 505 Ca 0.03 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.01 3fey h ALA 505 Cb 0.18 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 3fey h ALA 505 CO -0.07 -0.75 0.36 0.28 0.00 0.00 0.00 179.25 179.06 3fey h VAL 506 N -0.40 0.87 -0.53 0.00 2.07 -1.14 -1.34 116.25 115.79 3fey h VAL 506 Ca 0.05 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 3fey h VAL 506 Cb 0.47 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3fey h VAL 506 CO -0.20 0.11 0.09 0.00 0.02 0.00 0.00 177.57 177.59 3fey h ALA 507 N 1.41 0.70 -0.71 1.67 0.00 -0.31 -2.55 119.26 119.47 3fey h ALA 507 Ca 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3fey h ALA 507 Cb 0.33 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3fey h ALA 507 CO -0.25 0.44 0.37 0.74 0.00 0.00 0.00 179.25 180.56 3fey h PHE 508 N 0.76 1.00 -0.09 0.00 0.05 -0.37 -2.59 116.94 115.70 3fey h PHE 508 Ca 0.16 -0.03 -0.09 0.00 3.82 0.00 0.00 57.97 61.83 3fey h PHE 508 Cb 0.40 -0.32 -0.01 0.00 2.00 0.00 0.00 35.95 38.02 3fey h PHE 508 CO 0.03 0.72 -0.34 0.87 -0.18 0.00 0.00 178.31 179.41 3fey h LYS 509 N 0.99 0.18 -0.45 1.51 1.57 -1.16 -0.87 116.57 118.33 3fey h LYS 509 Ca 0.25 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3fey h LYS 509 Cb 0.07 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3fey h LYS 509 CO -0.04 0.50 0.00 -1.13 -0.57 0.00 0.00 179.45 178.21 3fey n SER 510 N -4.10 2.41 -1.16 0.86 3.41 -0.97 -5.00 113.62 109.07 3fey n SER 510 Ca -0.01 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.56 3fey n SER 510 Cb 0.41 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3fey n SER 510 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fey n LYS 511 N 0.75 0.00 -4.11 4.33 4.76 -0.33 -5.06 118.16 118.49 3fey n LYS 511 Ca 0.15 0.40 -0.26 0.00 -2.87 0.00 0.00 58.31 55.73 3fey n LYS 511 Cb 0.39 -0.76 -0.06 0.00 -1.84 0.00 0.00 35.03 32.76 3fey n LYS 511 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3fey s ALA 512 N 0.00 3.50 0.31 7.82 0.00 -1.17 -4.91 121.76 127.31 3fey s ALA 512 Ca 0.00 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.72 3fey s ALA 512 Cb 0.00 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 3fey s ALA 512 CO 0.00 0.46 0.46 0.95 0.00 0.00 0.00 175.76 177.63 3fey s THR 513 N -1.81 4.81 0.29 0.00 -4.23 -1.26 -5.00 115.64 108.44 3fey s THR 513 Ca 0.31 -0.83 0.03 0.00 -1.18 0.00 0.00 61.69 60.02 3fey s THR 513 Cb -0.10 -3.71 0.29 0.00 1.34 0.00 0.00 72.50 70.32 3fey s THR 513 CO 0.23 -0.34 1.79 0.78 -0.54 0.00 0.00 174.62 176.54 3fey h ASN 514 N 0.94 0.80 0.24 3.99 2.35 -1.98 -1.19 115.58 120.71 3fey h ASN 514 Ca -0.49 0.08 -0.13 0.00 -0.55 0.00 0.00 56.30 55.20 3fey h ASN 514 Cb 1.24 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.53 3fey h ASN 514 CO 0.59 0.34 -0.51 0.44 -1.65 0.00 0.00 177.43 176.64 3fey h ASP 515 N 0.82 0.33 -0.27 5.81 3.32 -1.99 -0.15 116.42 124.30 3fey h ASP 515 Ca 0.54 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 57.33 3fey h ASP 515 Cb 0.73 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3fey h ASP 515 CO -0.34 0.78 -0.20 -0.08 -1.72 0.00 0.00 179.24 177.68 3fey h GLU 516 N 0.24 0.61 -0.33 3.56 4.81 -1.75 -1.32 114.58 120.41 3fey h GLU 516 Ca 0.01 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 3fey h GLU 516 Cb 0.98 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 3fey h GLU 516 CO 0.08 0.88 0.13 0.82 -0.73 0.00 0.00 179.01 180.19 3fey h ILE 517 N 0.34 1.18 -0.79 2.32 1.08 -1.05 -2.37 117.51 118.22 3fey h ILE 517 Ca 0.05 -0.56 0.12 0.00 -0.39 0.00 0.00 64.86 64.08 3fey h ILE 517 Cb 0.74 0.95 -0.08 0.00 -3.07 0.00 0.00 36.82 35.36 3fey h ILE 517 CO 0.05 0.20 0.40 -0.26 -0.69 0.00 0.00 178.15 177.85 3fey h PHE 518 N 0.38 0.71 -0.75 1.37 0.04 -0.94 -1.77 116.94 115.97 3fey h PHE 518 Ca 0.11 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.93 3fey h PHE 518 Cb 0.19 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.10 3fey h PHE 518 CO -0.00 0.21 0.49 0.77 -0.60 0.00 0.00 178.31 179.18 3fey h SER 519 N 0.62 0.84 -0.34 2.17 0.02 -0.77 -2.57 113.55 113.52 3fey h SER 519 Ca 0.41 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 61.17 3fey h SER 519 Cb 0.52 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 3fey h SER 519 CO -0.32 0.60 -0.47 0.40 -1.14 0.00 0.00 176.83 175.90 3fey h ILE 520 N 0.99 1.27 0.00 3.27 2.04 -0.96 -3.18 117.51 120.94 3fey h ILE 520 Ca 0.28 -1.65 -0.02 0.00 1.00 0.00 0.00 64.86 64.48 3fey h ILE 520 Cb -0.07 1.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3fey h ILE 520 CO -0.08 0.54 -0.11 -0.07 0.00 0.00 0.00 178.15 178.44 3fey h LEU 521 N 0.72 0.00 -2.23 1.44 3.38 -0.95 -2.01 115.31 115.65 3fey h LEU 521 Ca 0.04 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.06 3fey h LEU 521 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3fey h LEU 521 CO 0.11 0.11 0.20 0.11 0.09 0.00 0.00 178.44 179.06 3fey h LYS 522 N 0.00 0.00 0.00 1.13 1.57 -1.46 -0.61 116.57 117.20 3fey h LYS 522 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fey h LYS 522 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3fey h LYS 522 CO 0.01 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.64 3fey n ASP 523 N -3.79 0.00 -4.73 0.86 8.00 -0.76 -4.80 116.55 111.34 3fey n ASP 523 Ca 0.01 -0.48 -0.41 0.00 0.71 0.00 0.00 54.79 54.62 3fey n ASP 523 Cb 0.32 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.31 3fey n ASP 523 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fey s VAL 524 N -2.14 4.54 -1.14 2.53 1.01 -0.24 -5.00 120.40 119.97 3fey s VAL 524 Ca 0.28 2.06 0.00 0.00 0.00 0.00 0.00 61.98 64.32 3fey s VAL 524 Cb 0.14 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.20 3fey s VAL 524 CO 0.25 0.29 0.00 -2.65 0.00 0.00 0.00 175.10 173.00 3fey n PRO 525 N 2.95 0.00 0.00 2.72 -0.02 -1.26 -5.01 135.00 134.38 3fey n PRO 525 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3fey n PRO 525 Cb 0.49 -0.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.98 3fey n PRO 525 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3fey n PHE 539 N -0.26 0.00 -3.62 6.00 -0.00 -1.26 -4.92 117.46 113.40 3fey n PHE 539 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.16 3fey n PHE 539 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 39.48 39.34 3fey n PHE 539 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 3fey s ASN 540 N 0.00 3.57 0.18 -2.13 3.84 -1.26 -5.02 114.94 114.12 3fey s ASN 540 Ca 0.00 -1.90 -0.13 0.00 0.21 0.00 0.00 52.86 51.04 3fey s ASN 540 Cb 0.00 -0.66 0.13 0.00 -0.55 0.00 0.00 41.25 40.17 3fey s ASN 540 CO 0.00 -0.36 1.78 -0.65 -2.79 0.00 0.00 177.10 175.08 3fey h PRO 541 N 7.61 0.47 -0.92 0.43 0.11 -1.98 -1.63 132.00 136.10 3fey h PRO 541 Ca -0.08 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.01 3fey h PRO 541 Cb 0.98 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 31.94 3fey h PRO 541 CO 0.41 0.31 0.59 1.25 -0.21 0.00 0.00 178.00 180.36 3fey h LEU 542 N 0.49 1.07 -0.42 2.35 5.85 -1.95 0.60 115.31 123.30 3fey h LEU 542 Ca 0.22 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3fey h LEU 542 Cb 0.13 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3fey h LEU 542 CO -0.16 0.79 0.24 0.50 -0.34 0.00 0.00 178.44 179.48 3fey h LYS 543 N 1.26 0.57 -0.28 1.25 3.64 -1.69 -1.55 116.57 119.77 3fey h LYS 543 Ca 0.34 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.67 3fey h LYS 543 Cb -0.12 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 3fey h LYS 543 CO -0.07 0.44 0.16 0.82 -2.27 0.00 0.00 179.45 178.53 3fey h ILE 544 N 0.54 1.03 -0.06 2.00 2.04 -0.56 -2.39 117.51 120.11 3fey h ILE 544 Ca 0.15 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.93 3fey h ILE 544 Cb 0.02 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 3fey h ILE 544 CO -0.03 0.06 -0.15 -0.08 0.00 0.00 0.00 178.15 177.96 3fey h GLU 545 N 0.33 -0.21 -0.60 2.37 4.81 -0.36 0.87 114.58 121.79 3fey h GLU 545 Ca 0.11 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 3fey h GLU 545 Cb -0.00 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3fey h GLU 545 CO -0.05 -0.14 0.17 -0.39 -0.73 0.00 0.00 179.01 177.87 3fey h VAL 546 N -0.21 1.25 0.20 0.32 -1.51 -1.28 0.49 116.25 115.50 3fey h VAL 546 Ca 0.07 -0.86 -0.01 0.00 -1.23 0.00 0.00 66.70 64.67 3fey h VAL 546 Cb 0.31 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 30.14 3fey h VAL 546 CO -0.18 0.32 -0.10 0.15 -1.23 0.00 0.00 177.57 176.53 3fey h PHE 547 N 0.85 -0.25 -0.45 5.19 3.57 -1.18 -1.99 116.94 122.68 3fey h PHE 547 Ca 0.19 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 3fey h PHE 547 Cb 0.32 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3fey h PHE 547 CO 0.02 -0.06 -0.12 0.28 -2.23 0.00 0.00 178.31 176.20 3fey h VAL 548 N -0.39 1.27 0.01 1.41 2.07 -0.74 -0.72 116.25 119.17 3fey h VAL 548 Ca -0.03 -1.25 0.01 0.00 0.82 0.00 0.00 66.70 66.26 3fey h VAL 548 Cb 0.30 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3fey h VAL 548 CO 0.05 0.43 -0.08 1.56 0.02 0.00 0.00 177.57 179.54 3fey h GLN 549 N 0.72 -0.15 -0.07 1.57 1.08 -0.91 -1.06 115.11 116.29 3fey h GLN 549 Ca 0.11 0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.29 3fey h GLN 549 Cb 0.67 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.13 3fey h GLN 549 CO 0.05 -0.10 -0.10 1.15 -0.95 0.00 0.00 178.83 178.89 3fey h THR 550 N -0.15 1.39 -0.02 -0.54 2.02 -1.27 -2.22 112.91 112.12 3fey h THR 550 Ca 0.03 -1.31 0.02 0.00 0.77 0.00 0.00 66.41 65.92 3fey h THR 550 Cb 0.18 2.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.65 3fey h THR 550 CO -0.08 0.36 -0.14 0.25 0.37 0.00 0.00 175.52 176.29 3fey h LEU 551 N -0.26 -0.40 -0.90 2.58 5.85 -1.12 -1.23 115.31 119.83 3fey h LEU 551 Ca 0.01 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3fey h LEU 551 Cb 0.63 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 3fey h LEU 551 CO 0.02 -0.19 0.47 -0.07 -0.34 0.00 0.00 178.44 178.34 3fey h LEU 552 N -0.22 1.13 -0.88 2.25 3.38 -1.23 -2.13 115.31 117.60 3fey h LEU 552 Ca 0.05 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3fey h LEU 552 Cb 0.29 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3fey h LEU 552 CO -0.15 0.92 0.58 -0.74 0.09 0.00 0.00 178.44 179.14 3fey h HIS 553 N 1.26 1.09 0.00 1.13 2.76 -1.20 -2.22 115.15 117.97 3fey h HIS 553 Ca 0.31 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.48 3fey h HIS 553 Cb 0.05 -0.37 -0.00 0.00 1.55 0.00 0.00 27.41 28.64 3fey h HIS 553 CO 0.01 0.67 -0.15 -0.07 -1.30 0.00 0.00 177.93 177.09 3fey h LEU 554 N 1.16 0.00 -2.94 0.26 3.38 -0.71 -2.97 115.31 113.49 3fey h LEU 554 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3fey h LEU 554 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3fey h LEU 554 CO -0.09 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.59 3fey n ALA 555 N -2.15 3.06 0.31 1.53 0.00 -0.85 -4.64 120.51 117.77 3fey n ALA 555 Ca 0.02 -1.48 0.07 0.00 0.00 0.00 0.00 53.44 52.05 3fey n ALA 555 Cb 0.52 -1.03 0.31 0.00 0.00 0.00 0.00 19.45 19.25 3fey n ALA 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fey n ALA 556 N 1.07 1.41 -0.23 0.00 0.00 -0.88 -3.51 120.51 118.38 3fey n ALA 556 Ca 0.24 0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.65 3fey n ALA 556 Cb 0.85 -1.22 0.09 0.00 0.00 0.00 0.00 19.45 19.16 3fey n ALA 556 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3fey h LYS 557 N 0.00 1.08 -3.11 0.00 3.64 -1.86 -3.46 116.57 112.85 3fey h LYS 557 Ca 0.00 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.15 3fey h LYS 557 Cb 0.18 -0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 31.76 3fey h LYS 557 CO 0.00 0.94 0.15 -1.54 -2.27 0.00 0.00 179.45 176.73 3fey s SER 558 N -6.47 -0.36 0.17 4.20 1.04 -1.23 -5.04 113.70 106.01 3fey s SER 558 Ca -0.12 -0.36 -0.15 0.00 0.48 0.00 0.00 55.95 55.81 3fey s SER 558 Cb 0.15 0.63 0.14 0.00 0.10 0.00 0.00 66.02 67.05 3fey s SER 558 CO 0.84 -1.12 1.71 -0.26 0.98 0.00 0.00 173.24 175.38 3fey h PHE 559 N 2.07 0.05 0.00 5.02 -1.00 -1.89 -2.21 116.94 118.98 3fey h PHE 559 Ca -0.27 0.03 -0.14 0.00 2.81 0.00 0.00 57.97 60.39 3fey h PHE 559 Cb 1.27 0.04 -0.02 0.00 3.61 0.00 0.00 35.95 40.86 3fey h PHE 559 CO 0.34 -0.05 -0.69 0.66 -1.61 0.00 0.00 178.31 176.96 3fey h SER 560 N 0.16 0.00 -0.83 2.17 4.64 -1.96 -1.21 113.55 116.52 3fey h SER 560 Ca 0.22 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.59 3fey h SER 560 Cb 0.30 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.33 3fey h SER 560 CO -0.32 0.69 0.51 0.45 -0.87 0.00 0.00 176.83 177.28 3fey h HIS 561 N 0.00 0.94 -0.26 4.77 3.86 -1.78 -0.88 115.15 121.80 3fey h HIS 561 Ca -0.01 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.16 3fey h HIS 561 Cb 1.32 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 29.48 3fey h HIS 561 CO 0.00 0.48 -0.13 0.77 0.86 0.00 0.00 177.93 179.92 3fey h SER 562 N 0.94 0.56 -0.47 2.45 0.02 -0.77 -1.04 113.55 115.23 3fey h SER 562 Ca 0.36 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 3fey h SER 562 Cb 0.15 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3fey h SER 562 CO -0.17 0.85 0.21 -0.26 -1.14 0.00 0.00 176.83 176.32 3fey h PHE 563 N 0.28 0.74 -0.29 3.45 0.05 -1.20 -0.19 116.94 119.77 3fey h PHE 563 Ca 0.06 -0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.80 3fey h PHE 563 Cb 0.64 -0.23 -0.01 0.00 2.00 0.00 0.00 35.95 38.34 3fey h PHE 563 CO 0.06 0.57 0.13 0.77 -0.18 0.00 0.00 178.31 179.67 3fey h SER 564 N 0.74 0.39 -0.53 2.17 0.02 -0.89 -1.42 113.55 114.03 3fey h SER 564 Ca 0.18 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3fey h SER 564 Cb 0.14 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 3fey h SER 564 CO -0.02 0.43 0.34 0.00 -1.14 0.00 0.00 176.83 176.44 3fey h ALA 565 N 0.98 0.68 -0.54 3.77 0.00 -0.58 0.71 119.26 124.29 3fey h ALA 565 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3fey h ALA 565 Cb 0.15 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3fey h ALA 565 CO -0.01 0.14 0.33 -0.07 0.00 0.00 0.00 179.25 179.65 3fey h LEU 566 N 0.72 0.63 0.22 0.00 3.38 -0.85 -1.37 115.31 118.04 3fey h LEU 566 Ca 0.19 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3fey h LEU 566 Cb -0.05 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3fey h LEU 566 CO -0.04 0.48 -0.11 0.00 0.09 0.00 0.00 178.44 178.86 3fey h ALA 567 N 1.63 -0.30 -0.56 1.53 0.00 -0.93 -1.94 119.26 118.70 3fey h ALA 567 Ca 0.20 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.03 3fey h ALA 567 Cb -0.05 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 17.75 3fey h ALA 567 CO -0.04 -0.34 -0.17 -0.22 0.00 0.00 0.00 179.25 178.48 3fey h LYS 568 N -0.95 -0.03 -0.86 0.00 3.64 -0.74 -1.41 116.57 116.23 3fey h LYS 568 Ca -0.03 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.94 3fey h LYS 568 Cb 0.47 0.01 -0.24 0.00 -0.41 0.00 0.00 32.23 32.06 3fey h LYS 568 CO 0.05 -0.02 0.48 1.19 -2.27 0.00 0.00 179.45 178.88 3fey n PHE 569 N -5.40 2.67 -0.28 1.91 3.01 -0.53 -4.58 117.46 114.25 3fey n PHE 569 Ca 0.06 -1.68 0.09 0.00 1.01 0.00 0.00 57.45 56.93 3fey n PHE 569 Cb 0.31 -0.83 0.24 0.00 -0.01 0.00 0.00 39.48 39.18 3fey n PHE 569 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 3fey h HIS 570 N 1.35 0.57 -0.55 1.38 2.76 -0.42 -0.73 115.15 119.51 3fey h HIS 570 Ca 0.50 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.71 3fey h HIS 570 Cb 2.60 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 31.40 3fey h HIS 570 CO 1.45 0.02 0.35 0.93 -1.30 0.00 0.00 177.93 179.38 3fey h GLU 571 N 0.43 0.74 -0.11 5.26 4.39 -1.83 -0.55 114.58 122.92 3fey h GLU 571 Ca 0.48 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 60.06 3fey h GLU 571 Cb 0.81 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3fey h GLU 571 CO -0.46 0.50 -0.20 0.28 -1.16 0.00 0.00 179.01 177.97 3fey h VAL 572 N 0.76 1.38 -0.64 3.13 2.07 -1.51 -2.12 116.25 119.33 3fey h VAL 572 Ca 0.20 -1.47 0.10 0.00 0.82 0.00 0.00 66.70 66.35 3fey h VAL 572 Cb -0.06 2.08 -0.08 0.00 -1.52 0.00 0.00 31.29 31.72 3fey h VAL 572 CO -0.04 0.43 0.24 -0.26 0.02 0.00 0.00 177.57 177.95 3fey h PHE 573 N -0.10 0.41 0.00 1.57 -1.00 -1.14 -0.19 116.94 116.49 3fey h PHE 573 Ca 0.01 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.75 3fey h PHE 573 Cb 0.78 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.25 3fey h PHE 573 CO 0.10 0.09 -0.32 0.87 -1.61 0.00 0.00 178.31 177.44 3fey h LYS 574 N 0.41 0.00 0.00 1.51 1.79 -1.05 -1.07 116.57 118.17 3fey h LYS 574 Ca 0.33 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.77 3fey h LYS 574 Cb 0.42 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 3fey h LYS 574 CO -0.33 0.32 -0.16 1.15 -1.08 0.00 0.00 179.45 179.36 3fey h THR 575 N 0.00 1.19 -0.06 -0.16 2.02 -0.87 -3.02 112.91 112.01 3fey h THR 575 Ca -0.00 -1.95 -0.01 0.00 0.77 0.00 0.00 66.41 65.22 3fey h THR 575 Cb 0.71 2.30 -0.00 0.00 -1.74 0.00 0.00 68.15 69.42 3fey h THR 575 CO 0.04 0.40 -0.02 -0.07 0.37 0.00 0.00 175.52 176.25 3fey h LEU 576 N -1.00 0.08 -3.59 2.58 3.38 -1.05 -2.94 115.31 112.76 3fey h LEU 576 Ca -0.04 -0.01 -0.35 0.00 0.09 0.00 0.00 57.88 57.58 3fey h LEU 576 Cb 0.77 -0.02 -0.20 0.00 0.09 0.00 0.00 40.66 41.30 3fey h LEU 576 CO -0.02 0.11 0.08 0.00 0.09 0.00 0.00 178.44 178.70 3fey n ALA 577 N -2.52 4.90 -0.08 1.53 0.00 -0.41 -4.62 120.51 119.32 3fey n ALA 577 Ca -0.02 -3.22 -0.04 0.00 0.00 0.00 0.00 53.44 50.16 3fey n ALA 577 Cb 0.13 -0.95 0.17 0.00 0.00 0.00 0.00 19.45 18.81 3fey n ALA 577 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3fey h GLU 578 N 1.25 0.71 -7.15 0.00 4.81 -1.37 -3.36 114.58 109.47 3fey h GLU 578 Ca 0.36 -0.21 -0.48 0.00 -0.13 0.00 0.00 59.36 58.90 3fey h GLU 578 Cb 1.78 -0.08 0.06 0.00 0.63 0.00 0.00 28.75 31.14 3fey h GLU 578 CO 0.71 0.77 0.22 -1.54 -0.73 0.00 0.00 179.01 178.44 3fey s SER 579 N -6.69 5.76 0.21 1.04 1.04 -1.26 -4.96 113.70 108.84 3fey s SER 579 Ca -0.09 0.88 -0.05 0.00 0.48 0.00 0.00 55.95 57.18 3fey s SER 579 Cb 0.14 -1.92 0.17 0.00 0.10 0.00 0.00 66.02 64.52 3fey s SER 579 CO 0.80 -0.99 1.61 0.44 0.98 0.00 0.00 173.24 176.09 3fey h ASP 580 N -0.18 0.78 0.17 7.02 3.32 -1.98 -1.82 116.42 123.73 3fey h ASP 580 Ca -0.45 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.23 3fey h ASP 580 Cb 1.24 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 3fey h ASP 580 CO 0.61 1.00 -0.26 -0.33 -1.72 0.00 0.00 179.24 178.55 3fey h GLU 581 N 0.66 0.17 -0.40 3.56 3.07 -1.95 -2.04 114.58 117.64 3fey h GLU 581 Ca 0.08 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.84 3fey h GLU 581 Cb 0.77 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.65 3fey h GLU 581 CO 0.06 0.42 0.04 0.78 -1.40 0.00 0.00 179.01 178.91 3fey h GLY 582 N 0.93 0.73 0.99 -3.84 0.00 -1.72 -1.46 103.07 98.70 3fey h GLY 582 Ca 0.02 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 3fey h GLY 582 CO 0.04 0.47 0.31 0.50 0.00 0.00 0.00 176.54 177.86 3fey h LYS 583 N 0.52 0.77 -0.64 4.80 1.57 -1.01 -1.79 116.57 120.79 3fey h LYS 583 Ca 0.12 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3fey h LYS 583 Cb 0.41 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 3fey h LYS 583 CO 0.01 0.58 0.35 -0.07 -0.57 0.00 0.00 179.45 179.75 3fey h LEU 584 N 0.75 0.78 -0.19 2.94 4.07 -1.28 -2.52 115.31 119.85 3fey h LEU 584 Ca 0.20 -0.06 -0.21 0.00 0.08 0.00 0.00 57.88 57.89 3fey h LEU 584 Cb 0.03 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 3fey h LEU 584 CO -0.03 0.63 -0.94 -0.74 -1.08 0.00 0.00 178.44 176.28 3fey h HIS 585 N 0.88 0.34 0.02 1.13 2.76 -0.85 -1.25 115.15 118.19 3fey h HIS 585 Ca 0.23 -0.20 0.02 0.00 -2.20 0.00 0.00 60.37 58.21 3fey h HIS 585 Cb 0.03 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 3fey h HIS 585 CO 0.01 1.04 -0.11 0.28 -1.30 0.00 0.00 177.93 177.84 3fey h VAL 586 N 0.11 0.72 -0.72 5.26 2.07 -1.04 -0.74 116.25 121.90 3fey h VAL 586 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3fey h VAL 586 Cb 1.59 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 3fey h VAL 586 CO 0.15 0.00 0.46 -0.07 0.02 0.00 0.00 177.57 178.13 3fey h LEU 587 N -0.20 0.85 -0.61 2.57 3.38 -1.35 0.14 115.31 120.08 3fey h LEU 587 Ca 0.03 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3fey h LEU 587 Cb 0.24 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3fey h LEU 587 CO -0.10 0.64 0.26 -0.09 0.09 0.00 0.00 178.44 179.24 3fey h ARG 588 N 0.98 0.91 -0.10 1.13 2.43 -1.04 -1.26 114.38 117.43 3fey h ARG 588 Ca 0.26 -0.15 -0.15 0.00 -0.81 0.00 0.00 59.98 59.12 3fey h ARG 588 Cb -0.08 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.33 3fey h ARG 588 CO -0.05 0.76 -0.54 0.28 -1.51 0.00 0.00 179.97 178.90 3fey h VAL 589 N 0.85 1.36 -0.79 0.20 2.07 -0.81 -2.11 116.25 117.02 3fey h VAL 589 Ca 0.21 -1.87 0.18 0.00 0.82 0.00 0.00 66.70 66.04 3fey h VAL 589 Cb 0.17 2.21 -0.12 0.00 -1.52 0.00 0.00 31.29 32.04 3fey h VAL 589 CO -0.02 0.56 0.21 -0.03 0.02 0.00 0.00 177.57 178.32 3fey h MET 590 N 0.14 0.27 -0.25 1.57 1.85 -0.67 -1.62 114.93 116.22 3fey h MET 590 Ca -0.04 -0.02 -0.14 0.00 -0.61 0.00 0.00 59.70 58.90 3fey h MET 590 Cb 1.19 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 33.15 3fey h MET 590 CO 0.11 0.18 -0.40 0.35 -0.40 0.00 0.00 176.91 176.75 3fey h PHE 591 N 0.28 0.71 -0.35 1.39 3.57 -1.09 -0.78 116.94 120.67 3fey h PHE 591 Ca 0.46 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3fey h PHE 591 Cb 0.82 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 3fey h PHE 591 CO -0.25 0.91 0.18 0.93 -2.23 0.00 0.00 178.31 177.84 3fey h GLU 592 N 0.49 0.47 -0.05 1.11 5.08 -0.84 -0.01 114.58 120.83 3fey h GLU 592 Ca 0.04 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3fey h GLU 592 Cb 0.91 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3fey h GLU 592 CO 0.08 0.36 -0.31 0.28 -1.00 0.00 0.00 179.01 178.42 3fey h VAL 593 N 0.48 1.45 -0.15 3.13 2.07 -0.65 -3.39 116.25 119.18 3fey h VAL 593 Ca 0.12 -1.77 -0.06 0.00 0.82 0.00 0.00 66.70 65.82 3fey h VAL 593 Cb 0.03 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 3fey h VAL 593 CO -0.02 0.50 -0.17 0.79 0.02 0.00 0.00 177.57 178.69 3fey n TRP 594 N -4.44 0.49 -0.04 1.57 7.02 -0.36 -0.68 117.44 121.00 3fey n TRP 594 Ca -0.09 -1.32 0.16 0.00 -1.02 0.00 0.00 57.50 55.23 3fey n TRP 594 Cb 0.50 -0.31 0.59 0.00 -2.42 0.00 0.00 31.31 29.67 3fey n TRP 594 CO 0.00 0.00 0.00 0.07 -2.02 0.00 0.00 177.69 175.74 3fey h ARG 595 N 0.89 0.21 0.00 -0.99 0.11 -1.19 -0.53 114.38 112.89 3fey h ARG 595 Ca 0.07 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.14 3fey h ARG 595 Cb 1.28 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.31 3fey h ARG 595 CO 0.16 0.14 0.00 0.09 0.10 0.00 0.00 179.97 180.46 3fey n ASN 596 N -4.44 0.00 -3.32 0.08 3.02 -1.26 -4.36 115.26 104.98 3fey n ASN 596 Ca 0.10 -0.47 -0.26 0.00 -0.03 0.00 0.00 54.58 53.92 3fey n ASN 596 Cb 0.47 -0.11 -0.08 0.00 -0.61 0.00 0.00 39.78 39.45 3fey n ASN 596 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 3fey n HIS 597 N -1.11 -0.06 -0.18 3.10 -0.00 -0.21 -4.10 115.22 112.66 3fey n HIS 597 Ca 0.15 -3.55 0.10 0.00 0.46 0.00 0.00 57.72 54.87 3fey n HIS 597 Cb 0.12 -0.15 0.40 0.00 -0.12 0.00 0.00 29.99 30.24 3fey n HIS 597 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3fey h PRO 598 N 4.69 0.62 -0.62 1.57 0.11 -1.76 -1.25 132.00 135.36 3fey h PRO 598 Ca 0.16 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 3fey h PRO 598 Cb 0.87 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.81 3fey h PRO 598 CO 0.47 0.41 0.39 0.37 -0.21 0.00 0.00 178.00 179.43 3fey h GLN 599 N 0.64 0.84 -0.52 1.05 4.15 -1.93 -0.37 115.11 118.97 3fey h GLN 599 Ca 0.35 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.62 3fey h GLN 599 Cb 0.50 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 3fey h GLN 599 CO -0.13 0.59 0.00 1.98 -1.93 0.00 0.00 178.83 179.35 3fey h MET 600 N 0.85 0.91 -0.69 1.69 4.05 -1.62 -1.39 114.93 118.73 3fey h MET 600 Ca 0.23 -0.29 0.09 0.00 -0.28 0.00 0.00 59.70 59.45 3fey h MET 600 Cb -0.05 -0.08 -0.07 0.00 -0.80 0.00 0.00 31.60 30.60 3fey h MET 600 CO -0.04 0.94 0.34 0.82 0.23 0.00 0.00 176.91 179.19 3fey h ILE 601 N 0.78 0.85 -0.27 1.77 2.04 -0.89 -0.40 117.51 121.39 3fey h ILE 601 Ca 0.15 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 3fey h ILE 601 Cb 0.52 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3fey h ILE 601 CO 0.03 0.11 0.03 0.00 0.00 0.00 0.00 178.15 178.31 3fey h ALA 602 N 1.42 0.36 -0.11 1.87 0.00 -0.53 -0.64 119.26 121.62 3fey h ALA 602 Ca 0.34 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 3fey h ALA 602 Cb 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3fey h ALA 602 CO -0.27 0.06 -0.58 -0.39 0.00 0.00 0.00 179.25 178.08 3fey h VAL 603 N 0.26 1.36 -0.32 0.00 -1.51 -0.92 -1.65 116.25 113.46 3fey h VAL 603 Ca 0.08 -1.89 -0.08 0.00 -1.23 0.00 0.00 66.70 63.58 3fey h VAL 603 Cb 0.36 1.90 -0.01 0.00 -2.13 0.00 0.00 31.29 31.41 3fey h VAL 603 CO 0.01 0.57 -0.12 -0.07 -1.23 0.00 0.00 177.57 176.73 3fey h LEU 604 N 0.27 0.66 -1.10 4.19 3.38 -0.98 -1.78 115.31 119.95 3fey h LEU 604 Ca -0.00 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.63 3fey h LEU 604 Cb 1.09 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 3fey h LEU 604 CO 0.10 0.90 0.61 0.58 0.09 0.00 0.00 178.44 180.72 3fey h VAL 605 N 0.42 1.11 -0.22 1.22 2.07 -1.03 -0.72 116.25 119.11 3fey h VAL 605 Ca 0.08 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3fey h VAL 605 Cb 0.63 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3fey h VAL 605 CO 0.04 0.20 0.10 -0.78 0.02 0.00 0.00 177.57 177.16 3fey h ASP 606 N 1.12 0.28 -0.20 0.57 1.82 -1.00 -2.04 116.42 116.97 3fey h ASP 606 Ca 0.39 -0.12 -0.08 0.00 -0.39 0.00 0.00 57.03 56.82 3fey h ASP 606 Cb 0.11 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.03 3fey h ASP 606 CO -0.14 0.33 -0.14 0.11 -1.61 0.00 0.00 179.24 177.79 3fey h LYS 607 N 0.22 0.60 -0.51 0.28 1.79 -0.93 -1.15 116.57 116.86 3fey h LYS 607 Ca 0.07 -0.19 -0.07 0.00 -2.18 0.00 0.00 60.65 58.28 3fey h LYS 607 Cb 0.12 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 3fey h LYS 607 CO -0.01 0.72 0.04 0.52 -1.08 0.00 0.00 179.45 179.64 3fey h MET 608 N 0.55 0.88 -0.02 3.15 2.86 -0.95 -0.96 114.93 120.44 3fey h MET 608 Ca 0.09 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3fey h MET 608 Cb 0.56 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 3fey h MET 608 CO 0.04 0.89 0.01 0.82 1.06 0.00 0.00 176.91 179.72 3fey h ILE 609 N 0.75 1.16 0.00 -1.22 2.04 -1.21 0.78 117.51 119.82 3fey h ILE 609 Ca 0.15 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 3fey h ILE 609 Cb 0.47 1.46 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3fey h ILE 609 CO 0.02 0.13 -0.03 0.03 0.00 0.00 0.00 178.15 178.30 3fey h ARG 610 N -0.17 0.00 -0.28 2.37 3.08 -1.08 -1.90 114.38 116.41 3fey h ARG 610 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3fey h ARG 610 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3fey h ARG 610 CO -0.00 0.03 0.00 0.25 -1.07 0.00 0.00 179.97 179.18 3fey n THR 611 N -3.39 1.21 -1.40 2.04 -2.24 -0.38 -4.98 114.28 105.14 3fey n THR 611 Ca -0.02 -1.16 -0.14 0.00 -2.27 0.00 0.00 64.05 60.46 3fey n THR 611 Cb 0.15 0.37 -0.06 0.00 -2.10 0.00 0.00 70.33 68.69 3fey n THR 611 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fey n GLN 612 N 0.17 -1.01 -0.21 -0.78 6.02 -0.07 -4.85 117.38 116.65 3fey n GLN 612 Ca 0.11 0.98 -0.08 0.00 -0.01 0.00 0.00 57.00 58.00 3fey n GLN 612 Cb 0.47 -5.08 0.03 0.00 1.02 0.00 0.00 30.24 26.68 3fey n GLN 612 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3fey h ILE 613 N 0.00 1.23 -2.03 5.09 2.04 -1.21 -3.45 117.51 119.18 3fey h ILE 613 Ca -0.28 -0.72 -0.57 0.00 1.00 0.00 0.00 64.86 64.29 3fey h ILE 613 Cb 0.92 0.60 -0.13 0.00 -0.74 0.00 0.00 36.82 37.47 3fey h ILE 613 CO 0.41 0.28 -0.55 0.68 0.00 0.00 0.00 178.15 178.97 3fey s VAL 614 N -5.53 1.08 0.32 1.67 -7.23 -1.12 -4.83 120.40 104.76 3fey s VAL 614 Ca -0.13 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.08 3fey s VAL 614 Cb 0.13 -2.51 -0.06 0.00 0.56 0.00 0.00 36.38 34.49 3fey s VAL 614 CO 0.79 0.00 0.06 1.51 -0.31 0.00 0.00 175.10 177.15 3fey s ASP 615 N -3.65 2.35 0.22 4.85 1.47 -1.26 -4.19 116.67 116.46 3fey s ASP 615 Ca 0.24 -1.38 -0.08 0.00 1.18 0.00 0.00 52.55 52.51 3fey s ASP 615 Cb 0.05 -0.07 0.30 0.00 -0.34 0.00 0.00 42.92 42.86 3fey s ASP 615 CO 0.12 -0.61 1.77 0.00 0.68 0.00 0.00 175.17 177.13 3fey h ALA 617 N 1.41 0.29 -0.67 0.00 0.00 -1.96 -0.49 119.26 117.85 3fey h ALA 617 Ca 0.33 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.40 3fey h ALA 617 Cb 0.35 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 3fey h ALA 617 CO -0.27 -0.35 0.25 0.00 0.00 0.00 0.00 179.25 178.88 3fey h ALA 618 N 1.19 0.88 -0.19 0.00 0.00 -1.83 -0.11 119.26 119.21 3fey h ALA 618 Ca 0.13 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3fey h ALA 618 Cb 0.12 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3fey h ALA 618 CO -0.16 -0.20 0.02 0.28 0.00 0.00 0.00 179.25 179.19 3fey h VAL 619 N 0.42 1.24 -0.39 0.00 2.07 -1.04 -0.42 116.25 118.13 3fey h VAL 619 Ca 0.35 -0.79 0.08 0.00 0.82 0.00 0.00 66.70 67.16 3fey h VAL 619 Cb 0.47 1.38 -0.08 0.00 -1.52 0.00 0.00 31.29 31.54 3fey h VAL 619 CO -0.35 0.24 -0.14 0.00 0.02 0.00 0.00 177.57 177.35 3fey h ALA 620 N 0.81 0.19 -0.69 1.67 0.00 -0.83 0.29 119.26 120.70 3fey h ALA 620 Ca 0.06 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3fey h ALA 620 Cb 0.34 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3fey h ALA 620 CO 0.01 -0.50 0.44 -0.91 0.00 0.00 0.00 179.25 178.29 3fey h ASN 621 N -0.05 0.80 -0.99 0.00 2.35 -0.83 -2.29 115.58 114.56 3fey h ASN 621 Ca 0.19 -0.03 0.05 0.00 -0.55 0.00 0.00 56.30 55.96 3fey h ASN 621 Cb 0.34 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 38.45 3fey h ASN 621 CO -0.43 0.60 0.64 -0.25 -1.65 0.00 0.00 177.43 176.34 3fey h TRP 622 N 0.94 1.20 -0.65 1.19 7.01 -0.60 -2.20 115.95 122.83 3fey h TRP 622 Ca 0.25 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.28 3fey h TRP 622 Cb -0.08 -0.40 -0.03 0.00 -2.10 0.00 0.00 29.16 26.55 3fey h TRP 622 CO -0.02 0.65 0.40 0.82 -2.79 0.00 0.00 178.44 177.51 3fey h ILE 623 N 1.20 1.18 -0.48 2.65 1.08 -0.37 -2.02 117.51 120.76 3fey h ILE 623 Ca 0.41 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 64.50 3fey h ILE 623 Cb 0.08 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 34.08 3fey h ILE 623 CO -0.15 0.19 0.00 0.49 -0.69 0.00 0.00 178.15 177.99 3fey n PHE 624 N -4.41 1.21 -2.54 1.37 3.01 -0.87 -4.79 117.46 110.44 3fey n PHE 624 Ca 0.07 -0.47 -0.28 0.00 1.01 0.00 0.00 57.45 57.78 3fey n PHE 624 Cb 0.06 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.30 3fey n PHE 624 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3fey s SER 625 N -0.76 6.22 0.37 4.37 1.04 -0.76 -4.97 113.70 119.21 3fey s SER 625 Ca 0.39 0.97 0.06 0.00 0.48 0.00 0.00 55.95 57.85 3fey s SER 625 Cb 0.26 -2.24 0.76 0.00 0.10 0.00 0.00 66.02 64.90 3fey s SER 625 CO 0.18 -0.64 1.98 -1.28 0.98 0.00 0.00 173.24 174.46 3fey h SER 626 N 0.14 0.63 -0.00 7.02 0.87 -1.91 -1.06 113.55 119.24 3fey h SER 626 Ca -0.47 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 3fey h SER 626 Cb 1.21 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 63.03 3fey h SER 626 CO 0.62 0.42 0.00 -0.33 -0.53 0.00 0.00 176.83 177.01 3fey h GLU 627 N 0.73 0.00 -0.23 2.24 3.07 -1.93 -2.44 114.58 116.02 3fey h GLU 627 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 3fey h GLU 627 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 3fey h GLU 627 CO -0.09 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.80 3fey n LEU 628 N -4.13 2.68 -0.34 1.33 7.99 -0.41 -4.55 117.00 119.58 3fey n LEU 628 Ca -0.03 -1.08 -0.03 0.00 -0.01 0.00 0.00 56.01 54.85 3fey n LEU 628 Cb 0.09 -0.14 0.09 0.00 -0.11 0.00 0.00 43.42 43.35 3fey n LEU 628 CO 0.30 0.54 1.24 0.28 -1.51 0.00 0.00 177.39 178.24 3fey h SER 629 N 3.67 1.09 0.62 -1.43 0.02 -1.38 -0.64 113.55 115.49 3fey h SER 629 Ca 0.00 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 3fey h SER 629 Cb 0.80 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 3fey h SER 629 CO 0.00 0.81 -0.18 0.03 -1.14 0.00 0.00 176.83 176.35 3fey h ARG 630 N 1.26 0.00 -0.38 3.45 3.08 -1.81 -3.13 114.38 116.86 3fey h ARG 630 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 3fey h ARG 630 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.95 3fey h ARG 630 CO -0.07 0.18 0.00 -0.25 -1.07 0.00 0.00 179.97 178.76 3fey n ASP 631 N -3.53 3.01 0.13 7.04 8.00 -0.51 -4.69 116.55 126.00 3fey n ASP 631 Ca -0.01 -1.96 0.04 0.00 0.71 0.00 0.00 54.79 53.57 3fey n ASP 631 Cb 0.33 -0.25 0.47 0.00 -0.02 0.00 0.00 41.12 41.65 3fey n ASP 631 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3fey h PHE 632 N 2.39 0.24 -0.29 1.24 3.57 -1.11 -1.04 116.94 121.94 3fey h PHE 632 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3fey h PHE 632 Cb 0.75 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.42 3fey h PHE 632 CO 0.25 0.26 0.00 0.25 -2.23 0.00 0.00 178.31 176.84 3fey n THR 633 N -4.39 0.60 -3.56 4.41 -2.24 -1.26 -4.87 114.28 102.97 3fey n THR 633 Ca -0.00 -0.45 -0.35 0.00 -2.27 0.00 0.00 64.05 60.97 3fey n THR 633 Cb 0.17 0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.39 3fey n THR 633 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3fey s ARG 634 N -1.63 3.79 0.23 -0.78 0.52 -0.40 -5.00 118.95 115.69 3fey s ARG 634 Ca 0.21 0.22 -0.07 0.00 -0.52 0.00 0.00 55.73 55.58 3fey s ARG 634 Cb 0.12 -3.03 0.37 0.00 0.52 0.00 0.00 34.95 32.93 3fey s ARG 634 CO 0.12 0.58 1.74 1.25 0.02 0.00 0.00 175.30 179.01 3fey h LEU 635 N 3.88 0.26 -1.48 2.53 5.85 -1.91 -2.26 115.31 122.18 3fey h LEU 635 Ca -0.50 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.38 3fey h LEU 635 Cb 1.20 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.26 3fey h LEU 635 CO 0.65 0.12 0.43 2.19 -0.34 0.00 0.00 178.44 181.49 3fey h PHE 636 N 0.43 0.63 -0.30 1.25 -0.00 -1.94 0.12 116.94 117.13 3fey h PHE 636 Ca 0.36 0.02 0.01 0.00 -0.00 0.00 0.00 57.97 58.36 3fey h PHE 636 Cb 0.50 -0.21 -0.02 0.00 -0.00 0.00 0.00 35.95 36.22 3fey h PHE 636 CO -0.17 0.34 0.19 0.28 -0.00 0.00 0.00 178.31 178.95 3fey h VAL 637 N 0.63 1.05 -0.03 0.88 2.07 -1.70 -0.74 116.25 118.42 3fey h VAL 637 Ca 0.28 -0.13 -0.16 0.00 0.82 0.00 0.00 66.70 67.51 3fey h VAL 637 Cb 0.29 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3fey h VAL 637 CO -0.09 0.07 -0.70 -0.50 0.02 0.00 0.00 177.57 176.38 3fey h TRP 638 N 0.39 0.20 -0.57 1.57 4.06 -1.15 -1.75 115.95 118.69 3fey h TRP 638 Ca 0.12 -0.09 -0.02 0.00 2.06 0.00 0.00 58.89 60.96 3fey h TRP 638 Cb -0.02 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.08 3fey h TRP 638 CO -0.07 0.79 0.30 0.93 -3.56 0.00 0.00 178.44 176.83 3fey h GLU 639 N 0.10 0.81 -0.51 0.49 5.08 -0.83 -0.64 114.58 119.07 3fey h GLU 639 Ca -0.02 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3fey h GLU 639 Cb 1.24 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 3fey h GLU 639 CO 0.10 0.64 0.17 0.82 -1.00 0.00 0.00 179.01 179.74 3fey h ILE 640 N 0.77 1.23 -0.27 3.13 2.04 -0.99 -0.98 117.51 122.44 3fey h ILE 640 Ca 0.20 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 3fey h ILE 640 Cb 0.08 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3fey h ILE 640 CO -0.03 0.28 0.13 0.25 0.00 0.00 0.00 178.15 178.78 3fey h LEU 641 N 0.69 0.36 -1.04 1.44 5.85 -1.10 -1.41 115.31 120.10 3fey h LEU 641 Ca 0.17 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 3fey h LEU 641 Cb 0.26 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3fey h LEU 641 CO -0.01 0.38 -0.22 0.45 -0.34 0.00 0.00 178.44 178.70 3fey h HIS 642 N 0.31 0.47 -0.54 1.25 3.86 -1.04 -1.09 115.15 118.36 3fey h HIS 642 Ca 0.09 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.16 3fey h HIS 642 Cb 0.11 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 3fey h HIS 642 CO -0.02 0.62 0.10 1.03 0.86 0.00 0.00 177.93 180.51 3fey h SER 643 N 0.38 0.80 -0.21 2.45 0.87 -0.96 -0.07 113.55 116.81 3fey h SER 643 Ca 0.06 -0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.42 3fey h SER 643 Cb 0.59 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 3fey h SER 643 CO 0.04 0.81 -0.02 0.74 -0.53 0.00 0.00 176.83 177.87 3fey h THR 644 N 0.81 1.27 -0.56 2.23 2.02 -0.33 -2.24 112.91 116.10 3fey h THR 644 Ca 0.17 -0.95 0.02 0.00 0.77 0.00 0.00 66.41 66.42 3fey h THR 644 Cb 0.35 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 3fey h THR 644 CO 0.01 0.29 0.35 0.40 0.37 0.00 0.00 175.52 176.94 3fey h ILE 645 N 0.14 1.08 -0.86 3.11 2.04 -1.00 -2.15 117.51 119.87 3fey h ILE 645 Ca 0.06 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.72 3fey h ILE 645 Cb 0.44 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 3fey h ILE 645 CO 0.02 0.13 0.57 0.03 0.00 0.00 0.00 178.15 178.89 3fey h ARG 646 N 0.70 1.03 -0.46 2.37 3.08 -0.90 -0.14 114.38 120.05 3fey h ARG 646 Ca 0.22 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 60.07 3fey h ARG 646 Cb -0.01 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 3fey h ARG 646 CO -0.08 0.68 -0.24 0.87 -1.07 0.00 0.00 179.97 180.13 3fey h LYS 647 N 1.06 0.98 -0.34 0.04 1.57 -1.09 -1.54 116.57 117.24 3fey h LYS 647 Ca 0.35 -0.43 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3fey h LYS 647 Cb 0.05 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3fey h LYS 647 CO -0.11 1.10 0.18 1.98 -0.57 0.00 0.00 179.45 182.03 3fey h MET 648 N 0.84 0.35 -0.47 3.15 4.05 -0.66 -1.51 114.93 120.68 3fey h MET 648 Ca 0.10 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 3fey h MET 648 Cb 0.82 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.52 3fey h MET 648 CO 0.07 0.23 0.21 -0.91 0.23 0.00 0.00 176.91 176.75 3fey h ASN 649 N 0.37 0.63 -0.15 1.39 2.35 -0.94 -2.13 115.58 117.10 3fey h ASN 649 Ca 0.14 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3fey h ASN 649 Cb 0.04 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3fey h ASN 649 CO -0.09 0.60 -0.11 0.11 -1.65 0.00 0.00 177.43 176.29 3fey h LYS 650 N 0.62 0.50 -0.16 0.81 1.57 -1.24 -1.79 116.57 116.87 3fey h LYS 650 Ca 0.16 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3fey h LYS 650 Cb 0.15 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3fey h LYS 650 CO -0.02 0.61 0.03 1.25 -0.57 0.00 0.00 179.45 180.76 3fey h HIS 651 N 0.46 0.28 -0.07 -1.35 2.76 -0.86 -0.33 115.15 116.04 3fey h HIS 651 Ca 0.09 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.25 3fey h HIS 651 Cb 0.48 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.33 3fey h HIS 651 CO 0.02 0.41 -0.12 0.28 -1.30 0.00 0.00 177.93 177.22 3fey h VAL 652 N 0.06 0.69 -0.57 5.26 2.07 -1.18 -1.83 116.25 120.75 3fey h VAL 652 Ca 0.05 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.66 3fey h VAL 652 Cb 0.28 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 3fey h VAL 652 CO 0.00 0.00 0.17 -0.07 0.02 0.00 0.00 177.57 177.69 3fey h LEU 653 N -0.16 0.12 -0.56 2.57 3.38 -1.26 0.27 115.31 119.67 3fey h LEU 653 Ca 0.07 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3fey h LEU 653 Cb 0.25 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3fey h LEU 653 CO -0.17 0.08 0.34 0.50 0.09 0.00 0.00 178.44 179.28 3fey h LYS 654 N 0.33 0.65 -0.31 1.13 3.64 -0.69 0.18 116.57 121.50 3fey h LYS 654 Ca 0.29 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.48 3fey h LYS 654 Cb 0.37 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3fey h LYS 654 CO -0.32 0.43 -0.40 0.82 -2.27 0.00 0.00 179.45 177.70 3fey h ILE 655 N 0.67 1.29 -0.52 2.00 2.04 -0.87 -1.42 117.51 120.69 3fey h ILE 655 Ca 0.23 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.51 3fey h ILE 655 Cb 0.03 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3fey h ILE 655 CO -0.10 0.51 0.34 1.56 0.00 0.00 0.00 178.15 180.46 3fey h GLN 656 N 0.62 0.69 -0.91 2.37 4.20 -0.63 -0.98 115.11 120.47 3fey h GLN 656 Ca 0.05 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fey h GLN 656 Cb 0.95 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.54 3fey h GLN 656 CO 0.09 0.47 0.56 -0.22 -0.67 0.00 0.00 178.83 179.06 3fey h LYS 657 N 0.71 1.22 -0.31 1.46 1.63 -0.41 -0.50 116.57 120.36 3fey h LYS 657 Ca 0.19 -0.10 -0.16 0.00 -0.85 0.00 0.00 60.65 59.73 3fey h LYS 657 Cb -0.06 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.30 3fey h LYS 657 CO -0.04 0.84 -0.45 1.49 -3.45 0.00 0.00 179.45 177.84 3fey h GLU 658 N 1.24 0.81 -0.49 1.90 4.81 -1.00 -2.54 114.58 119.32 3fey h GLU 658 Ca 0.33 -0.46 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 3fey h GLU 658 Cb -0.08 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3fey h GLU 658 CO -0.06 1.09 -0.05 1.25 -0.73 0.00 0.00 179.01 180.51 3fey h LEU 659 N 0.65 0.83 -1.39 1.64 5.85 -0.82 -2.20 115.31 119.87 3fey h LEU 659 Ca 0.04 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 3fey h LEU 659 Cb 1.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 3fey h LEU 659 CO 0.10 0.92 -0.27 -0.33 -0.34 0.00 0.00 178.44 178.53 3fey h GLU 660 N 0.78 0.06 0.00 1.25 5.08 -0.94 -2.32 114.58 118.49 3fey h GLU 660 Ca 0.14 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3fey h GLU 660 Cb 0.54 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 3fey h GLU 660 CO 0.03 0.32 -0.76 0.93 -1.00 0.00 0.00 179.01 178.54 3fey h GLU 661 N 0.05 0.00 0.03 2.33 5.08 -1.26 -1.74 114.58 119.07 3fey h GLU 661 Ca 0.01 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 3fey h GLU 661 Cb 0.50 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.77 3fey h GLU 661 CO 0.04 0.05 -1.01 0.00 -1.00 0.00 0.00 179.01 177.09 3fey h ALA 662 N 1.92 0.09 -0.02 3.43 0.00 -1.15 -1.88 119.26 121.65 3fey h ALA 662 Ca -0.02 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 3fey h ALA 662 Cb 1.07 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3fey h ALA 662 CO 0.01 0.62 0.00 0.87 0.00 0.00 0.00 179.25 180.75 3fey h LYS 663 N 0.27 0.04 -0.40 0.00 1.57 -1.49 -2.49 116.57 114.08 3fey h LYS 663 Ca -0.13 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3fey h LYS 663 Cb 1.68 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.96 3fey h LYS 663 CO 0.20 0.29 0.27 0.93 -0.57 0.00 0.00 179.45 180.57 3fey h GLU 664 N -0.23 0.34 0.00 3.15 5.08 -1.38 0.31 114.58 121.86 3fey h GLU 664 Ca 0.01 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3fey h GLU 664 Cb 0.28 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3fey h GLU 664 CO 0.00 0.23 -0.12 -0.22 -1.00 0.00 0.00 179.01 177.90 3fey h LYS 665 N 0.35 0.00 -3.38 2.33 3.64 -1.16 -3.32 116.57 115.03 3fey h LYS 665 Ca 0.17 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.86 3fey h LYS 665 Cb 0.23 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3fey h LYS 665 CO -0.04 0.12 3.55 -0.11 -2.27 0.00 0.00 179.45 180.70 3fey n LEU 666 N -3.20 8.03 0.00 5.20 0.00 0.10 -5.08 117.00 122.05 3fey n LEU 666 Ca 0.01 -4.30 0.00 0.00 0.00 0.00 0.00 56.01 51.73 3fey n LEU 666 Cb 0.45 -1.59 0.00 0.00 0.00 0.00 0.00 43.42 42.27 3fey n LEU 666 CO 0.32 1.71 0.00 0.00 0.00 0.00 0.00 177.39 179.42 3fey n ALA 667 N 4.50 0.00 0.00 1.96 0.00 -1.25 -5.01 120.51 120.70 3fey n ALA 667 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.12 3fey n ALA 667 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 3fey n ALA 667 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3fey n ARG 683 N 0.00 0.00 -0.25 0.00 0.63 -1.26 -5.09 116.66 110.69 3fey n ARG 683 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3fey n ARG 683 Cb 0.00 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.03 3fey n ARG 683 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3fey h LYS 684 N 0.00 0.65 0.57 -0.14 1.57 -2.05 0.19 116.57 117.36 3fey h LYS 684 Ca 0.00 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3fey h LYS 684 Cb 0.00 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.17 3fey h LYS 684 CO 0.00 0.43 -0.27 -0.44 -0.57 0.00 0.00 179.45 178.60 3fey h ASP 685 N 0.67 -0.65 -0.62 0.86 3.32 -2.02 -2.68 116.42 115.31 3fey h ASP 685 Ca 0.34 -0.04 0.13 0.00 0.02 0.00 0.00 57.03 57.47 3fey h ASP 685 Cb 0.29 0.17 -0.11 0.00 0.22 0.00 0.00 39.33 39.90 3fey h ASP 685 CO -0.23 -0.32 -0.05 1.23 -1.72 0.00 0.00 179.24 178.16 3fey h GLY 686 N -0.99 0.59 1.02 2.75 0.00 -1.96 -0.31 103.07 104.17 3fey h GLY 686 Ca -0.08 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3fey h GLY 686 CO 0.13 -0.21 0.48 -2.08 0.00 0.00 0.00 176.54 174.85 3fey h VAL 687 N 0.07 1.24 -0.30 4.60 2.07 -0.67 -2.42 116.25 120.84 3fey h VAL 687 Ca 0.32 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 3fey h VAL 687 Cb 0.51 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3fey h VAL 687 CO -0.56 0.26 -0.21 0.25 0.02 0.00 0.00 177.57 177.33 3fey h LEU 688 N 1.15 0.70 -0.48 2.57 5.85 -0.85 -1.82 115.31 122.44 3fey h LEU 688 Ca 0.30 -0.44 0.03 0.00 0.84 0.00 0.00 57.88 58.61 3fey h LEU 688 Cb -0.01 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3fey h LEU 688 CO -0.05 0.99 0.27 -0.33 -0.34 0.00 0.00 178.44 178.98 3fey h GLU 689 N 0.42 0.53 -0.99 1.25 5.08 -1.02 0.12 114.58 119.97 3fey h GLU 689 Ca 0.06 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3fey h GLU 689 Cb 0.76 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 3fey h GLU 689 CO 0.06 0.35 0.64 0.93 -1.00 0.00 0.00 179.01 179.99 3fey h GLU 690 N 0.54 1.32 -0.64 2.33 3.07 -1.38 -0.41 114.58 119.41 3fey h GLU 690 Ca 0.20 -0.09 -0.08 0.00 -0.50 0.00 0.00 59.36 58.89 3fey h GLU 690 Cb 0.05 -0.29 -0.02 0.00 -0.84 0.00 0.00 28.75 27.64 3fey h GLU 690 CO -0.11 0.88 0.08 1.96 -1.40 0.00 0.00 179.01 180.43 3fey h GLN 691 N 1.35 1.08 -0.34 2.33 4.20 -0.42 -1.97 115.11 121.34 3fey h GLN 691 Ca 0.36 -0.30 0.03 0.00 0.06 0.00 0.00 58.65 58.80 3fey h GLN 691 Cb -0.13 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.50 3fey h GLN 691 CO -0.08 1.01 0.15 0.82 -0.67 0.00 0.00 178.83 180.06 3fey h ILE 692 N 0.99 0.95 -0.51 2.54 1.08 -0.18 0.34 117.51 122.73 3fey h ILE 692 Ca 0.19 -0.11 0.07 0.00 -0.39 0.00 0.00 64.86 64.62 3fey h ILE 692 Cb 0.47 0.60 -0.06 0.00 -3.07 0.00 0.00 36.82 34.76 3fey h ILE 692 CO 0.02 0.06 0.17 -0.33 -0.69 0.00 0.00 178.15 177.38 3fey h GLU 693 N 0.32 0.34 -0.02 2.37 5.08 -0.76 0.13 114.58 122.04 3fey h GLU 693 Ca 0.15 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 3fey h GLU 693 Cb 0.08 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3fey h GLU 693 CO -0.12 0.22 -0.51 0.00 -1.00 0.00 0.00 179.01 177.60 3fey h ARG 694 N 0.35 0.04 -0.28 2.33 2.47 -1.04 -1.51 114.38 116.74 3fey h ARG 694 Ca 0.25 -0.03 -0.13 0.00 -1.26 0.00 0.00 59.98 58.81 3fey h ARG 694 Cb 0.27 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.59 3fey h ARG 694 CO -0.26 0.55 -0.33 -0.07 0.56 0.00 0.00 179.97 180.43 3fey h LEU 695 N 0.04 0.78 -0.78 3.04 3.38 0.09 -2.33 115.31 119.52 3fey h LEU 695 Ca -0.00 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.49 3fey h LEU 695 Cb 0.92 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3fey h LEU 695 CO 0.07 1.11 0.52 -0.61 0.09 0.00 0.00 178.44 179.62 3fey h GLN 696 N 0.47 1.03 0.00 1.13 4.15 -0.54 -0.32 115.11 121.02 3fey h GLN 696 Ca 0.04 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 3fey h GLN 696 Cb 0.91 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 3fey h GLN 696 CO 0.08 0.68 -0.17 1.49 -1.93 0.00 0.00 178.83 178.98 3fey h GLU 697 N 1.06 0.00 0.00 1.69 4.81 -1.22 -2.53 114.58 118.38 3fey h GLU 697 Ca 0.29 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.29 3fey h GLU 697 Cb -0.12 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 3fey h GLU 697 CO -0.06 0.17 -1.19 -0.22 -0.73 0.00 0.00 179.01 176.98 3fey h LYS 698 N 0.00 0.00 0.51 1.92 3.64 -0.69 -3.01 116.57 118.94 3fey h LYS 698 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3fey h LYS 698 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3fey h LYS 698 CO 0.02 0.81 -0.24 0.28 -2.27 0.00 0.00 179.45 178.04 3fey h VAL 699 N 0.00 0.49 -0.89 2.00 2.07 -0.82 0.15 116.25 119.24 3fey h VAL 699 Ca -0.09 -0.11 0.13 0.00 0.82 0.00 0.00 66.70 67.45 3fey h VAL 699 Cb 1.81 0.54 -0.09 0.00 -1.52 0.00 0.00 31.29 32.03 3fey h VAL 699 CO 0.11 0.02 0.51 -0.33 0.02 0.00 0.00 177.57 177.89 3fey h GLU 700 N -0.75 0.74 -0.50 1.57 5.08 -1.57 0.51 114.58 119.65 3fey h GLU 700 Ca -0.07 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 3fey h GLU 700 Cb 0.55 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3fey h GLU 700 CO 0.11 0.49 -0.18 0.77 -1.00 0.00 0.00 179.01 179.20 3fey h SER 701 N 0.76 1.01 -0.47 1.42 0.02 -1.40 -1.13 113.55 113.75 3fey h SER 701 Ca 0.47 -0.36 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3fey h SER 701 Cb 0.58 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 3fey h SER 701 CO -0.32 1.15 0.12 0.00 -1.14 0.00 0.00 176.83 176.65 3fey h ALA 702 N 0.92 0.61 -0.56 3.77 0.00 0.74 -1.73 119.26 123.01 3fey h ALA 702 Ca 0.12 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3fey h ALA 702 Cb 0.75 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3fey h ALA 702 CO 0.06 0.29 -0.07 1.96 0.00 0.00 0.00 179.25 181.49 3fey h GLN 703 N 0.63 1.04 -0.56 0.00 4.20 0.07 -1.77 115.11 118.72 3fey h GLN 703 Ca 0.15 -0.36 -0.05 0.00 0.06 0.00 0.00 58.65 58.44 3fey h GLN 703 Cb 0.31 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3fey h GLN 703 CO -0.00 1.05 0.13 1.03 -0.67 0.00 0.00 178.83 180.37 3fey h SER 704 N 0.93 0.81 -0.44 1.46 0.87 -1.18 -1.12 113.55 114.88 3fey h SER 704 Ca 0.15 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 3fey h SER 704 Cb 0.63 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 3fey h SER 704 CO 0.04 0.80 0.07 -0.08 -0.53 0.00 0.00 176.83 177.12 3fey h GLU 705 N 0.83 0.80 0.05 2.24 4.81 -0.81 -1.67 114.58 120.83 3fey h GLU 705 Ca 0.18 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3fey h GLU 705 Cb 0.31 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3fey h GLU 705 CO 0.00 0.76 -0.03 0.37 -0.73 0.00 0.00 179.01 179.39 3fey h GLN 706 N 0.76 -0.07 -0.35 1.92 4.15 -1.03 -2.16 115.11 118.34 3fey h GLN 706 Ca 0.16 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.66 3fey h GLN 706 Cb 0.37 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 27.99 3fey h GLN 706 CO 0.01 0.32 -0.29 -0.22 -1.93 0.00 0.00 178.83 176.71 3fey h LYS 707 N -0.47 -0.24 -0.78 1.69 3.64 -1.14 -1.83 116.57 117.44 3fey h LYS 707 Ca -0.01 0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.54 3fey h LYS 707 Cb 0.42 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.19 3fey h LYS 707 CO 0.01 -0.16 0.31 -0.97 -2.27 0.00 0.00 179.45 176.37 3fey h ASN 708 N -0.25 0.27 -0.23 4.20 -1.24 -1.26 0.10 115.58 117.17 3fey h ASN 708 Ca 0.16 0.12 0.01 0.00 0.71 0.00 0.00 56.30 57.30 3fey h ASN 708 Cb 0.51 0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.65 3fey h ASN 708 CO -0.49 0.08 0.13 0.25 -1.29 0.00 0.00 177.43 176.12 3fey h LEU 709 N 0.43 0.22 -0.44 0.34 5.85 -0.67 0.18 115.31 121.22 3fey h LEU 709 Ca 0.43 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.14 3fey h LEU 709 Cb 0.69 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3fey h LEU 709 CO -0.43 0.16 0.20 -0.26 -0.34 0.00 0.00 178.44 177.77 3fey h PHE 710 N 0.28 0.64 0.07 1.25 -1.00 -0.60 -1.62 116.94 115.96 3fey h PHE 710 Ca 0.09 -0.04 0.02 0.00 2.81 0.00 0.00 57.97 60.85 3fey h PHE 710 Cb -0.01 -0.20 -0.03 0.00 3.61 0.00 0.00 35.95 39.32 3fey h PHE 710 CO -0.08 0.53 -0.22 -0.07 -1.61 0.00 0.00 178.31 176.86 3fey h LEU 711 N 0.57 -0.64 -0.46 1.54 4.07 -0.40 0.35 115.31 120.33 3fey h LEU 711 Ca 0.15 0.08 0.09 0.00 0.08 0.00 0.00 57.88 58.28 3fey h LEU 711 Cb 0.14 0.25 -0.08 0.00 1.08 0.00 0.00 40.66 42.05 3fey h LEU 711 CO -0.02 -0.30 -0.08 0.58 -1.08 0.00 0.00 178.44 177.54 3fey h VAL 712 N -0.39 0.57 -0.21 1.22 2.07 -0.60 0.14 116.25 119.05 3fey h VAL 712 Ca 0.04 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.56 3fey h VAL 712 Cb 0.44 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3fey h VAL 712 CO -0.16 0.01 0.11 0.40 0.02 0.00 0.00 177.57 177.95 3fey h ILE 713 N 0.03 1.01 -0.40 4.57 2.04 -0.68 -1.49 117.51 122.60 3fey h ILE 713 Ca 0.22 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 3fey h ILE 713 Cb 0.34 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3fey h ILE 713 CO -0.44 0.04 0.20 -0.26 0.00 0.00 0.00 178.15 177.69 3fey h PHE 714 N 0.23 0.56 -0.78 1.37 0.04 -0.55 -1.40 116.94 116.41 3fey h PHE 714 Ca 0.08 -0.02 0.11 0.00 2.80 0.00 0.00 57.97 60.94 3fey h PHE 714 Cb 0.01 -0.18 -0.08 0.00 2.20 0.00 0.00 35.95 37.90 3fey h PHE 714 CO -0.09 0.45 0.40 1.96 -0.60 0.00 0.00 178.31 180.44 3fey h GLN 715 N 0.50 0.63 -0.13 1.51 4.20 -0.39 0.99 115.11 122.43 3fey h GLN 715 Ca 0.14 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 3fey h GLN 715 Cb 0.09 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 3fey h GLN 715 CO -0.02 0.42 -0.05 0.00 -0.67 0.00 0.00 178.83 178.51 3fey h ARG 716 N 0.65 0.26 -0.46 1.46 2.47 -1.10 -1.00 114.38 116.67 3fey h ARG 716 Ca 0.39 -0.11 0.09 0.00 -1.26 0.00 0.00 59.98 59.09 3fey h ARG 716 Cb 0.45 -0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.69 3fey h ARG 716 CO -0.29 0.59 0.01 0.74 0.56 0.00 0.00 179.97 181.58 3fey h PHE 717 N -0.07 -0.00 -0.70 3.04 0.04 -0.70 -1.30 116.94 117.24 3fey h PHE 717 Ca 0.03 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 3fey h PHE 717 Cb 0.51 0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.70 3fey h PHE 717 CO 0.06 -0.09 0.35 0.82 -0.60 0.00 0.00 178.31 178.86 3fey h ILE 718 N 0.13 1.23 -0.31 -0.55 2.04 -0.71 -0.48 117.51 118.86 3fey h ILE 718 Ca 0.23 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 3fey h ILE 718 Cb 0.34 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3fey h ILE 718 CO -0.37 0.26 -0.05 -0.03 0.00 0.00 0.00 178.15 177.96 3fey h MET 719 N 0.97 0.58 0.00 2.37 4.05 -0.83 -1.56 114.93 120.51 3fey h MET 719 Ca 0.24 -0.21 -0.13 0.00 -0.28 0.00 0.00 59.70 59.32 3fey h MET 719 Cb 0.09 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 3fey h MET 719 CO -0.03 0.75 -0.61 -0.84 0.23 0.00 0.00 176.91 176.41 3fey h ILE 720 N 0.36 1.11 -0.24 1.77 3.07 -1.12 -1.82 117.51 120.64 3fey h ILE 720 Ca 0.08 -2.37 -0.19 0.00 1.55 0.00 0.00 64.86 63.93 3fey h ILE 720 Cb 0.52 2.42 0.00 0.00 -0.27 0.00 0.00 36.82 39.49 3fey h ILE 720 CO 0.03 0.59 -0.60 -0.07 -1.05 0.00 0.00 178.15 177.05 3fey h LEU 721 N 0.00 0.87 -0.43 0.16 3.38 -1.10 -2.80 115.31 115.39 3fey h LEU 721 Ca -0.01 -0.49 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 3fey h LEU 721 Cb 1.37 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 3fey h LEU 721 CO 0.08 1.27 0.08 0.74 0.09 0.00 0.00 178.44 180.69 3fey h THR 722 N 0.58 1.24 -0.70 0.22 2.02 -1.20 -0.95 112.91 114.12 3fey h THR 722 Ca -0.00 -0.87 0.07 0.00 0.77 0.00 0.00 66.41 66.38 3fey h THR 722 Cb 1.19 0.99 -0.06 0.00 -1.74 0.00 0.00 68.15 68.53 3fey h THR 722 CO 0.13 0.30 0.37 -0.08 0.37 0.00 0.00 175.52 176.61 3fey h GLU 723 N 0.56 0.65 0.41 6.66 4.22 -1.35 0.19 114.58 125.92 3fey h GLU 723 Ca 0.13 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 59.51 3fey h GLU 723 Cb 0.37 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3fey h GLU 723 CO 0.01 0.43 -0.20 1.25 -2.18 0.00 0.00 179.01 178.32 3fey h HIS 724 N 0.67 -0.51 -0.10 0.92 2.76 -1.19 -1.72 115.15 115.99 3fey h HIS 724 Ca 0.32 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.51 3fey h HIS 724 Cb 0.26 0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 3fey h HIS 724 CO -0.09 -0.19 -0.09 -0.07 -1.30 0.00 0.00 177.93 176.19 3fey h LEU 725 N -0.84 -0.29 -0.41 0.26 3.38 -1.04 -0.78 115.31 115.60 3fey h LEU 725 Ca -0.06 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fey h LEU 725 Cb 0.55 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3fey h LEU 725 CO 0.09 -0.13 0.26 0.58 0.09 0.00 0.00 178.44 179.34 3fey h VAL 726 N -0.11 1.12 -0.32 1.22 2.07 -1.01 -1.89 116.25 117.32 3fey h VAL 726 Ca 0.07 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3fey h VAL 726 Cb 0.21 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3fey h VAL 726 CO -0.17 0.12 0.19 -0.09 0.02 0.00 0.00 177.57 177.64 3fey h ARG 727 N 0.55 0.38 -0.38 1.57 2.43 -1.01 -1.05 114.38 116.86 3fey h ARG 727 Ca 0.15 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3fey h ARG 727 Cb -0.04 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3fey h ARG 727 CO -0.03 0.25 0.25 0.00 -1.51 0.00 0.00 179.97 178.94 3fey h GLU 729 N 0.52 0.82 -0.48 0.00 5.08 -1.26 0.21 114.58 119.46 3fey h GLU 729 Ca 0.14 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 58.00 3fey h GLU 729 Cb -0.06 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3fey h GLU 729 CO -0.03 1.09 0.13 1.15 -1.00 0.00 0.00 179.01 180.35 3fey h THR 730 N 0.65 1.23 -0.01 1.13 2.02 -1.07 -3.00 112.91 113.87 3fey h THR 730 Ca 0.04 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.41 3fey h THR 730 Cb 1.02 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 3fey h THR 730 CO 0.10 0.29 -0.15 0.47 0.37 0.00 0.00 175.52 176.60 3fey n ASP 731 N -4.49 0.88 -0.48 4.18 10.43 -0.02 -4.93 116.55 122.12 3fey n ASP 731 Ca 0.01 -0.89 -0.06 0.00 2.57 0.00 0.00 54.79 56.42 3fey n ASP 731 Cb 0.21 0.04 -0.02 0.00 1.84 0.00 0.00 41.12 43.18 3fey n ASP 731 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fey n GLY 732 N 1.28 0.79 3.96 0.44 0.00 -0.02 -5.04 105.19 106.59 3fey n GLY 732 Ca 0.14 -0.77 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 3fey n GLY 732 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fey s THR 733 N -2.23 4.76 0.13 2.61 -4.23 0.52 -5.01 115.64 112.19 3fey s THR 733 Ca 0.00 -1.05 -0.30 0.00 -1.18 0.00 0.00 61.69 59.16 3fey s THR 733 Cb 0.00 -3.65 -0.07 0.00 1.34 0.00 0.00 72.50 70.12 3fey s THR 733 CO 0.00 -0.27 1.19 -0.55 -0.54 0.00 0.00 174.62 174.45 3fey s SER 734 N -4.02 7.09 0.34 3.99 0.15 -1.26 -4.39 113.70 115.61 3fey s SER 734 Ca 0.37 2.13 0.05 0.00 0.70 0.00 0.00 55.95 59.20 3fey s SER 734 Cb -0.09 -2.59 0.63 0.00 -1.71 0.00 0.00 66.02 62.26 3fey s SER 734 CO 0.29 -0.41 1.88 0.58 1.20 0.00 0.00 173.24 176.78 3fey h VAL 735 N 4.09 1.19 -1.70 4.45 2.07 -1.96 -3.40 116.25 121.00 3fey h VAL 735 Ca -0.43 -0.80 -0.69 0.00 0.82 0.00 0.00 66.70 65.61 3fey h VAL 735 Cb 1.21 1.01 -0.14 0.00 -1.52 0.00 0.00 31.29 31.85 3fey h VAL 735 CO 0.78 0.27 1.48 -0.76 0.02 0.00 0.00 177.57 179.35 3fey s LEU 736 N -8.99 4.46 0.38 2.57 1.43 -1.26 -4.75 118.68 112.52 3fey s LEU 736 Ca -0.07 -2.35 0.08 0.00 -1.03 0.00 0.00 54.13 50.75 3fey s LEU 736 Cb 0.15 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 3fey s LEU 736 CO 0.76 -1.07 0.27 0.42 0.23 0.00 0.00 176.35 176.97 3fey s THR 737 N 3.13 2.91 0.21 5.49 -4.23 -1.26 -4.96 115.64 116.93 3fey s THR 737 Ca 0.44 -1.48 -0.09 0.00 -1.18 0.00 0.00 61.69 59.38 3fey s THR 737 Cb -0.01 -3.04 0.15 0.00 1.34 0.00 0.00 72.50 70.94 3fey s THR 737 CO -0.02 -0.09 1.74 -0.65 -0.54 0.00 0.00 174.62 175.06 3fey h PRO 738 N 1.26 0.38 -0.73 3.99 0.11 -1.93 -0.29 132.00 134.79 3fey h PRO 738 Ca -0.43 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.76 3fey h PRO 738 Cb 1.26 -0.09 -0.08 0.00 0.11 0.00 0.00 31.00 32.21 3fey h PRO 738 CO 0.61 0.25 0.36 2.35 -0.21 0.00 0.00 178.00 181.35 3fey h TRP 739 N 0.39 0.63 -0.23 0.65 7.01 -1.95 -2.29 115.95 120.16 3fey h TRP 739 Ca 0.32 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 61.25 3fey h TRP 739 Cb 0.41 -0.17 -0.00 0.00 -2.10 0.00 0.00 29.16 27.29 3fey h TRP 739 CO -0.18 0.21 -0.23 -0.92 -2.79 0.00 0.00 178.44 174.53 3fey h TYR 740 N 0.59 0.67 -0.74 2.65 3.20 -1.48 -1.13 116.97 120.73 3fey h TYR 740 Ca 0.36 -0.20 0.14 0.00 3.14 0.00 0.00 58.73 62.18 3fey h TYR 740 Cb 0.41 -0.14 -0.10 0.00 1.54 0.00 0.00 36.73 38.44 3fey h TYR 740 CO -0.11 0.90 0.26 -0.22 -1.64 0.00 0.00 178.16 177.34 3fey h LYS 741 N 0.25 0.37 -0.07 1.82 3.64 -0.87 0.12 116.57 121.83 3fey h LYS 741 Ca 0.03 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3fey h LYS 741 Cb 0.79 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3fey h LYS 741 CO 0.06 0.24 0.01 -0.97 -2.27 0.00 0.00 179.45 176.52 3fey h ASN 742 N 0.38 0.11 -0.22 4.20 -0.73 -1.21 -2.35 115.58 115.75 3fey h ASN 742 Ca 0.41 -0.25 -0.04 0.00 1.87 0.00 0.00 56.30 58.29 3fey h ASN 742 Cb 0.64 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.19 3fey h ASN 742 CO -0.43 0.33 -0.01 0.00 -0.37 0.00 0.00 177.43 176.96 3fey h ILE 744 N 0.15 1.18 0.00 0.00 6.09 -0.85 -2.24 117.51 121.84 3fey h ILE 744 Ca 0.06 -0.64 -0.16 0.00 -1.37 0.00 0.00 64.86 62.75 3fey h ILE 744 Cb 0.41 0.82 -0.02 0.00 0.47 0.00 0.00 36.82 38.50 3fey h ILE 744 CO 0.01 0.23 -0.83 -0.33 -3.07 0.00 0.00 178.15 174.16 3fey h GLU 745 N 0.53 0.00 -0.45 2.19 5.08 -1.15 -1.62 114.58 119.15 3fey h GLU 745 Ca 0.12 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.41 3fey h GLU 745 Cb 0.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3fey h GLU 745 CO -0.00 0.71 -0.01 0.00 -1.00 0.00 0.00 179.01 178.71 3fey h ARG 746 N 0.00 0.75 -0.18 2.33 2.47 -0.61 0.19 114.38 119.33 3fey h ARG 746 Ca -0.03 -0.20 -0.02 0.00 -1.26 0.00 0.00 59.98 58.47 3fey h ARG 746 Cb 1.59 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.82 3fey h ARG 746 CO 0.09 0.76 0.03 1.25 0.56 0.00 0.00 179.97 182.67 3fey h LEU 747 N 0.70 0.29 -0.82 3.04 5.85 -1.35 -2.18 115.31 120.84 3fey h LEU 747 Ca 0.14 -0.26 0.14 0.00 0.84 0.00 0.00 57.88 58.74 3fey h LEU 747 Cb 0.44 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.30 3fey h LEU 747 CO 0.02 0.48 0.41 -0.61 -0.34 0.00 0.00 178.44 178.40 3fey h GLN 748 N 0.09 0.58 -0.07 1.25 4.15 -0.98 -2.34 115.11 117.80 3fey h GLN 748 Ca 0.06 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 3fey h GLN 748 Cb 0.31 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 3fey h GLN 748 CO 0.00 0.38 -0.26 0.37 -1.93 0.00 0.00 178.83 177.40 3fey h GLN 749 N 0.60 0.12 -0.26 1.69 4.15 -0.24 -1.15 115.11 120.03 3fey h GLN 749 Ca 0.44 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.83 3fey h GLN 749 Cb 0.62 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 3fey h GLN 749 CO -0.36 0.38 0.17 0.82 -1.93 0.00 0.00 178.83 177.91 3fey h ILE 750 N 0.11 1.07 -0.61 2.39 1.08 -0.84 -2.21 117.51 118.51 3fey h ILE 750 Ca 0.02 -0.14 -0.05 0.00 -0.39 0.00 0.00 64.86 64.29 3fey h ILE 750 Cb 0.53 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 3fey h ILE 750 CO 0.04 0.07 0.19 -0.26 -0.69 0.00 0.00 178.15 177.50 3fey h PHE 751 N 0.34 0.98 -0.14 1.37 0.04 -1.17 -2.63 116.94 115.73 3fey h PHE 751 Ca 0.09 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 3fey h PHE 751 Cb -0.03 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 37.83 3fey h PHE 751 CO -0.06 0.81 0.07 -0.07 -0.60 0.00 0.00 178.31 178.46 3fey h LEU 752 N 0.87 0.18 -0.76 1.54 3.38 -1.15 -2.14 115.31 117.23 3fey h LEU 752 Ca 0.20 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3fey h LEU 752 Cb 0.29 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3fey h LEU 752 CO -0.01 0.24 -0.21 1.56 0.09 0.00 0.00 178.44 180.11 3fey h GLN 753 N 0.11 0.00 0.00 1.13 4.20 -1.39 -3.35 115.11 115.82 3fey h GLN 753 Ca 0.05 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 3fey h GLN 753 Cb 0.10 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 27.68 3fey h GLN 753 CO -0.01 0.21 -0.77 0.72 -0.67 0.00 0.00 178.83 178.31 3fey n HIS 754 N -3.27 0.00 -0.37 2.96 8.25 -1.00 -4.89 115.22 116.90 3fey n HIS 754 Ca 0.01 -0.97 0.01 0.00 -0.26 0.00 0.00 57.72 56.51 3fey n HIS 754 Cb 0.49 -0.20 0.15 0.00 1.12 0.00 0.00 29.99 31.56 3fey n HIS 754 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3fey h HIS 755 N 0.98 1.23 -0.77 4.41 2.07 -1.52 -0.28 115.15 121.27 3fey h HIS 755 Ca -0.12 0.03 -0.00 0.00 -2.85 0.00 0.00 60.37 57.43 3fey h HIS 755 Cb 1.47 -0.41 -0.04 0.00 2.57 0.00 0.00 27.41 31.00 3fey h HIS 755 CO 0.45 0.69 0.47 1.96 -3.07 0.00 0.00 177.93 178.42 3fey h GLN 756 N 1.25 1.04 0.11 5.12 4.20 -1.90 -0.90 115.11 124.02 3fey h GLN 756 Ca 0.41 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 59.02 3fey h GLN 756 Cb 0.05 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.61 3fey h GLN 756 CO -0.14 0.73 -0.05 0.82 -0.67 0.00 0.00 178.83 179.52 3fey h ILE 757 N 1.05 1.08 -0.28 2.54 2.04 -1.79 -3.26 117.51 118.90 3fey h ILE 757 Ca 0.28 -0.78 0.08 0.00 1.00 0.00 0.00 64.86 65.44 3fey h ILE 757 Cb -0.04 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3fey h ILE 757 CO -0.05 0.19 0.22 0.40 0.00 0.00 0.00 178.15 178.90 3fey h ILE 758 N -0.51 0.74 0.00 -0.67 2.04 -0.84 -0.30 117.51 117.98 3fey h ILE 758 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3fey h ILE 758 Cb 0.42 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3fey h ILE 758 CO 0.02 0.00 0.00 1.56 0.00 0.00 0.00 178.15 179.73 3fey h GLN 759 N 0.00 0.00 0.00 2.37 4.20 -1.21 0.19 115.11 120.67 3fey h GLN 759 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3fey h GLN 759 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 3fey h GLN 759 CO -0.00 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.20 3fey n GLN 760 N -2.89 0.19 -0.31 1.46 6.02 -0.12 -3.56 117.38 118.18 3fey n GLN 760 Ca -0.02 0.43 0.08 0.00 -0.01 0.00 0.00 57.00 57.49 3fey n GLN 760 Cb 0.13 -1.88 0.21 0.00 1.02 0.00 0.00 30.24 29.72 3fey n GLN 760 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3fey n TYR 761 N -2.24 0.63 -0.12 1.08 0.53 0.67 -4.78 117.16 112.93 3fey n TYR 761 Ca 0.02 -0.86 -0.09 0.00 -1.02 0.00 0.00 57.90 55.95 3fey n TYR 761 Cb 0.22 -0.24 -0.03 0.00 -1.03 0.00 0.00 39.34 38.26 3fey n TYR 761 CO 0.00 0.00 0.00 0.52 -1.02 0.00 0.00 176.86 176.36 3fey h MET 762 N 1.30 -0.29 -0.67 -0.72 2.86 -1.66 -0.07 114.93 115.69 3fey h MET 762 Ca 0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3fey h MET 762 Cb 1.24 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.93 3fey h MET 762 CO 0.14 -0.19 0.43 0.28 1.06 0.00 0.00 176.91 178.63 3fey h VAL 763 N -0.30 1.18 -0.19 -2.22 2.07 -1.91 -0.12 116.25 114.76 3fey h VAL 763 Ca 0.15 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 3fey h VAL 763 Cb 0.57 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3fey h VAL 763 CO -0.56 0.17 0.01 0.74 0.02 0.00 0.00 177.57 177.96 3fey h THR 764 N 0.91 1.25 -0.08 2.57 2.02 -1.83 -1.77 112.91 115.97 3fey h THR 764 Ca 0.24 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3fey h THR 764 Cb -0.09 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3fey h THR 764 CO -0.05 0.25 0.05 -0.07 0.37 0.00 0.00 175.52 176.07 3fey h LEU 765 N 0.10 0.09 -1.00 2.58 3.38 -0.68 0.79 115.31 120.56 3fey h LEU 765 Ca 0.06 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3fey h LEU 765 Cb 0.37 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3fey h LEU 765 CO 0.01 0.07 0.01 -0.33 0.09 0.00 0.00 178.44 178.29 3fey h GLU 766 N 0.10 0.73 0.16 1.13 5.08 -1.04 0.37 114.58 121.10 3fey h GLU 766 Ca 0.03 -0.18 -0.30 0.00 -1.00 0.00 0.00 59.36 57.91 3fey h GLU 766 Cb -0.01 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.16 3fey h GLU 766 CO -0.01 0.74 -1.37 -0.91 -1.00 0.00 0.00 179.01 176.46 3fey h ASN 767 N 0.69 0.52 0.00 1.42 4.21 -1.12 -3.36 115.58 117.94 3fey h ASN 767 Ca 0.14 -0.59 -0.08 0.00 1.21 0.00 0.00 56.30 56.98 3fey h ASN 767 Cb 0.41 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.43 3fey h ASN 767 CO 0.02 1.47 -1.32 0.18 -1.29 0.00 0.00 177.43 176.48 3fey n LEU 768 N -3.56 0.13 -0.02 1.61 4.77 0.25 -4.87 117.00 115.31 3fey n LEU 768 Ca -0.12 -0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.82 3fey n LEU 768 Cb 1.05 0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 42.23 3fey n LEU 768 CO 0.55 0.13 -0.23 0.18 -1.33 0.00 0.00 177.39 176.69 3fey n LEU 769 N -2.19 0.97 -4.04 2.23 7.99 -0.73 -4.85 117.00 116.38 3fey n LEU 769 Ca -0.08 0.15 -0.43 0.00 -0.01 0.00 0.00 56.01 55.64 3fey n LEU 769 Cb 0.65 -0.45 0.01 0.00 -0.11 0.00 0.00 43.42 43.52 3fey n LEU 769 CO 0.10 -0.50 1.16 0.49 -1.51 0.00 0.00 177.39 177.13 3fey n PHE 770 N -3.45 2.74 -2.63 -1.77 3.01 0.12 -4.92 117.46 110.56 3fey n PHE 770 Ca -0.05 -2.78 -0.22 0.00 1.01 0.00 0.00 57.45 55.41 3fey n PHE 770 Cb 0.17 -1.38 0.07 0.00 -0.01 0.00 0.00 39.48 38.33 3fey n PHE 770 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3fey s THR 771 N -2.29 2.38 0.34 4.37 -4.23 -1.26 -4.42 115.64 110.52 3fey s THR 771 Ca 0.32 -0.64 0.23 0.00 -1.18 0.00 0.00 61.69 60.42 3fey s THR 771 Cb 0.03 -2.73 0.23 0.00 1.34 0.00 0.00 72.50 71.37 3fey s THR 771 CO 0.07 0.00 1.96 0.00 -0.54 0.00 0.00 174.62 176.11 3fey h ALA 772 N -0.22 1.24 0.00 3.99 0.00 -1.95 -2.54 119.26 119.79 3fey h ALA 772 Ca -0.39 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3fey h ALA 772 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3fey h ALA 772 CO 0.46 0.26 -0.21 1.05 0.00 0.00 0.00 179.25 180.80 3fey h GLU 773 N 0.00 0.00 -6.47 0.00 9.09 -1.98 -3.47 114.58 111.75 3fey h GLU 773 Ca -0.00 0.00 -0.61 0.00 0.05 0.00 0.00 59.36 58.80 3fey h GLU 773 Cb 0.51 0.00 0.10 0.00 -1.65 0.00 0.00 28.75 27.71 3fey h GLU 773 CO 0.03 0.00 0.22 -0.11 0.05 0.00 0.00 179.01 179.20 3fey n LEU 774 N -2.48 1.96 -4.61 3.06 7.94 -0.96 -4.81 117.00 117.10 3fey n LEU 774 Ca 0.04 1.17 -0.53 0.00 -1.11 0.00 0.00 56.01 55.58 3fey n LEU 774 Cb 0.47 -1.30 -0.06 0.00 0.53 0.00 0.00 43.42 43.06 3fey n LEU 774 CO 0.33 -1.25 0.98 -0.67 -1.11 0.00 0.00 177.39 175.68 3fey n ASP 775 N 1.43 1.80 -0.28 1.96 -0.08 -1.26 -4.62 116.55 115.50 3fey n ASP 775 Ca 0.11 1.11 0.21 0.00 -1.51 0.00 0.00 54.79 54.71 3fey n ASP 775 Cb 0.31 -1.19 0.51 0.00 2.34 0.00 0.00 41.12 43.09 3fey n ASP 775 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3fey h PRO 776 N 5.05 0.38 -0.83 -0.67 0.11 -1.94 0.22 132.00 134.32 3fey h PRO 776 Ca -0.47 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.73 3fey h PRO 776 Cb 1.33 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 3fey h PRO 776 CO 0.81 0.25 0.54 0.45 -0.21 0.00 0.00 178.00 179.84 3fey h HIS 777 N 0.40 0.78 0.07 0.65 3.86 -2.00 0.18 115.15 119.08 3fey h HIS 777 Ca 0.53 0.02 -0.23 0.00 -1.16 0.00 0.00 60.37 59.53 3fey h HIS 777 Cb 1.35 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.56 3fey h HIS 777 CO -0.00 0.33 -1.18 0.82 0.86 0.00 0.00 177.93 178.76 3fey h ILE 778 N 0.70 1.11 -0.97 2.45 2.04 -1.33 -3.34 117.51 118.17 3fey h ILE 778 Ca 0.40 -2.34 0.14 0.00 1.00 0.00 0.00 64.86 64.06 3fey h ILE 778 Cb 0.57 2.70 -0.09 0.00 -0.74 0.00 0.00 36.82 39.26 3fey h ILE 778 CO -0.16 0.60 0.59 0.25 0.00 0.00 0.00 178.15 179.43 3fey h LEU 779 N -0.56 0.81 -1.24 1.44 6.46 -1.03 -2.00 115.31 119.19 3fey h LEU 779 Ca -0.27 0.07 0.11 0.00 -0.12 0.00 0.00 57.88 57.67 3fey h LEU 779 Cb 1.55 -0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 41.33 3fey h LEU 779 CO -0.01 0.38 0.57 0.00 -0.62 0.00 0.00 178.44 178.76 3fey h ALA 780 N 1.57 1.71 -0.55 1.25 0.00 -0.77 -0.51 119.26 121.96 3fey h ALA 780 Ca 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.39 3fey h ALA 780 Cb 0.63 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3fey h ALA 780 CO -0.32 0.09 0.19 0.28 0.00 0.00 0.00 179.25 179.49 3fey h VAL 781 N 0.81 1.23 -0.39 0.00 2.07 -1.52 0.13 116.25 118.57 3fey h VAL 781 Ca 0.42 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3fey h VAL 781 Cb 0.52 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3fey h VAL 781 CO -0.19 0.29 0.19 0.15 0.02 0.00 0.00 177.57 178.03 3fey h PHE 782 N 0.76 0.53 -0.05 1.57 3.57 -1.15 -1.77 116.94 120.40 3fey h PHE 782 Ca 0.18 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.55 3fey h PHE 782 Cb 0.25 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 38.83 3fey h PHE 782 CO 0.01 0.40 -0.45 1.96 -2.23 0.00 0.00 178.31 178.00 3fey h GLN 783 N 0.55 0.40 -0.78 1.11 4.20 -0.41 -1.35 115.11 118.83 3fey h GLN 783 Ca 0.14 -0.36 0.13 0.00 0.06 0.00 0.00 58.65 58.62 3fey h GLN 783 Cb 0.06 0.08 -0.09 0.00 0.30 0.00 0.00 27.48 27.84 3fey h GLN 783 CO -0.02 1.01 0.36 1.96 -0.67 0.00 0.00 178.83 181.47 3fey h GLN 784 N -0.09 0.53 -0.21 1.46 4.20 -0.74 0.47 115.11 120.73 3fey h GLN 784 Ca -0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3fey h GLN 784 Cb 1.13 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 3fey h GLN 784 CO 0.09 0.35 0.11 0.35 -0.67 0.00 0.00 178.83 179.06 3fey h PHE 785 N 0.54 0.30 -0.89 2.96 3.57 -1.12 -2.63 116.94 119.68 3fey h PHE 785 Ca 0.42 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.96 3fey h PHE 785 Cb 0.58 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.17 3fey h PHE 785 CO -0.13 0.29 0.58 0.00 -2.23 0.00 0.00 178.31 176.82 3fey n ALA 787 N -2.40 1.26 0.07 0.00 0.00 0.11 -2.62 120.51 116.93 3fey n ALA 787 Ca 0.13 0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.60 3fey n ALA 787 Cb 0.18 -1.23 0.15 0.00 0.00 0.00 0.00 19.45 18.55 3fey n ALA 787 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3fey h LEU 788 N 0.00 0.35 -2.86 0.00 3.38 -1.38 -3.30 115.31 111.50 3fey h LEU 788 Ca 0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3fey h LEU 788 Cb 0.12 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3fey h LEU 788 CO 0.00 0.78 -0.22 0.00 0.09 0.00 0.00 178.44 179.09 3fey n GLN 789 N -3.97 1.10 0.00 1.13 10.64 -1.08 -4.35 117.38 120.86 3fey n GLN 789 Ca -0.02 -2.47 0.06 0.00 -1.83 0.00 0.00 57.00 52.73 3fey n GLN 789 Cb 0.54 -1.31 0.05 0.00 -0.86 0.00 0.00 30.24 28.66 3fey n GLN 789 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23