#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e s SER 2 N 0.00 4.70 0.14 8.00 1.04 -1.26 -4.99 113.70 121.33 3g6e s SER 2 Ca 0.00 0.59 -0.15 0.00 0.48 0.00 0.00 55.95 56.87 3g6e s SER 2 Cb 0.00 -1.18 0.01 0.00 0.10 0.00 0.00 66.02 64.95 3g6e s SER 2 CO 0.00 -1.71 1.67 0.50 0.98 0.00 0.00 173.24 174.68 3g6e h LYS 3 N -0.78 0.69 -0.98 4.02 3.64 -2.07 -2.81 116.57 118.28 3g6e h LYS 3 Ca -0.45 -0.14 0.07 0.00 -1.27 0.00 0.00 60.65 58.86 3g6e h LYS 3 Cb 1.32 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.97 3g6e h LYS 3 CO 0.63 0.66 0.63 -0.22 -2.27 0.00 0.00 179.45 178.88 3g6e h LYS 4 N 0.58 1.08 0.00 1.90 3.64 -2.02 -1.43 116.57 120.32 3g6e h LYS 4 Ca 0.15 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3g6e h LYS 4 Cb 0.25 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3g6e h LYS 4 CO -0.01 0.72 -0.16 -0.22 -2.27 0.00 0.00 179.45 177.51 3g6e h LYS 5 N 1.11 0.00 -0.11 1.90 1.63 -1.88 -3.02 116.57 116.20 3g6e h LYS 5 Ca 0.43 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.23 3g6e h LYS 5 Cb 0.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 3g6e h LYS 5 CO -0.18 0.16 0.00 0.54 -3.45 0.00 0.00 179.45 176.52 3g6e n ARG 6 N -3.32 1.82 0.20 1.90 1.74 -0.54 -4.44 116.66 114.01 3g6e n ARG 6 Ca 0.00 -1.22 0.08 0.00 -0.77 0.00 0.00 57.85 55.94 3g6e n ARG 6 Cb 0.40 -1.45 0.32 0.00 -1.02 0.00 0.00 32.46 30.71 3g6e n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3g6e h GLN 7 N 2.70 0.00 -6.24 5.56 1.08 -1.52 -3.45 115.11 113.24 3g6e h GLN 7 Ca 0.00 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.64 3g6e h GLN 7 Cb 0.58 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.01 3g6e h GLN 7 CO 0.00 0.29 1.24 1.03 -0.95 0.00 0.00 178.83 180.44 3g6e s ARG 8 N -3.45 3.82 0.00 1.46 1.81 -1.26 -1.68 118.95 119.65 3g6e s ARG 8 Ca 0.02 2.14 0.00 0.00 -1.72 0.00 0.00 55.73 56.17 3g6e s ARG 8 Cb 0.09 -4.15 0.00 0.00 -0.45 0.00 0.00 34.95 30.45 3g6e s ARG 8 CO 0.67 -1.30 0.00 0.41 -0.68 0.00 0.00 175.30 174.40 3g6e n GLY 9 N 4.79 2.23 0.14 -3.53 0.00 -1.26 -4.96 105.19 102.60 3g6e n GLY 9 Ca 0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.36 3g6e n GLY 9 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3g6e h SER 10 N 0.00 0.00 0.00 1.61 4.64 -1.62 -3.48 113.55 114.70 3g6e h SER 10 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g6e h SER 10 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3g6e h SER 10 CO 0.00 0.00 0.00 -1.14 -0.87 0.00 0.00 176.83 174.82 3g6e n ARG 11 N -2.44 0.00 0.00 4.77 0.63 -1.26 -4.24 116.66 114.12 3g6e n ARG 11 Ca 0.04 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.11 3g6e n ARG 11 Cb 0.39 0.00 0.45 0.00 0.45 0.00 0.00 32.46 33.75 3g6e n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3g6e n THR 12 N 0.00 0.00 -3.81 5.15 -2.24 -1.26 -4.96 114.28 107.16 3g6e n THR 12 Ca 0.00 -0.19 -0.30 0.00 -2.27 0.00 0.00 64.05 61.30 3g6e n THR 12 Cb 0.00 0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 3g6e n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3g6e n HIS 13 N -0.24 -1.83 -0.68 4.78 8.25 -1.26 -1.18 115.22 123.05 3g6e n HIS 13 Ca 0.16 0.66 0.00 0.00 -0.26 0.00 0.00 57.72 58.28 3g6e n HIS 13 Cb 0.35 -3.02 0.00 0.00 1.12 0.00 0.00 29.99 28.44 3g6e n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g6e n GLY 14 N -1.32 1.17 0.12 -1.41 0.00 -1.26 -4.93 105.19 97.56 3g6e n GLY 14 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 3g6e n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g6e n GLY 15 N -2.00 -0.72 5.57 -0.02 0.00 -0.33 -5.02 105.19 102.67 3g6e n GLY 15 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3g6e n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g6e n GLY 16 N 0.85 0.47 3.76 -0.02 0.00 -1.26 -4.71 105.19 104.27 3g6e n GLY 16 Ca 0.14 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 3g6e n GLY 16 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g6e s SER 17 N -4.00 5.56 0.00 1.61 0.15 -1.26 -4.79 113.70 110.97 3g6e s SER 17 Ca 0.00 2.85 0.12 0.00 0.70 0.00 0.00 55.95 59.62 3g6e s SER 17 Cb 0.00 -2.65 0.71 0.00 -1.71 0.00 0.00 66.02 62.37 3g6e s SER 17 CO 0.00 -1.38 1.20 0.00 1.20 0.00 0.00 173.24 174.25 3g6e n HIS 18 N -0.62 0.00 1.35 3.44 -0.00 -1.26 -1.51 115.22 116.62 3g6e n HIS 18 Ca 0.08 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.93 3g6e n HIS 18 Cb 0.43 -0.07 0.43 0.00 -0.00 0.00 0.00 29.99 30.79 3g6e n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3g6e n LYS 19 N -1.07 1.79 -0.02 -1.40 5.02 -1.26 -4.57 118.16 116.65 3g6e n LYS 19 Ca 0.08 -1.15 -0.01 0.00 -2.02 0.00 0.00 58.31 55.22 3g6e n LYS 19 Cb 0.05 -1.46 -0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3g6e n LYS 19 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3g6e h ASN 20 N 2.69 0.00 -0.17 4.39 2.35 -1.56 -3.43 115.58 119.85 3g6e h ASN 20 Ca 0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 3g6e h ASN 20 Cb 0.58 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.96 3g6e h ASN 20 CO 0.00 0.17 2.06 0.54 -1.65 0.00 0.00 177.43 178.56 3g6e n ARG 21 N -2.86 1.75 0.00 0.81 1.74 -1.26 -4.74 116.66 112.10 3g6e n ARG 21 Ca -0.01 -2.16 0.00 0.00 -0.77 0.00 0.00 57.85 54.92 3g6e n ARG 21 Cb 0.03 -3.19 0.00 0.00 -1.02 0.00 0.00 32.46 28.28 3g6e n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3g6e n ARG 22 N 7.32 0.00 0.00 5.56 1.74 -1.26 -5.15 116.66 124.87 3g6e n ARG 22 Ca 0.49 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 3g6e n ARG 22 Cb 0.42 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.86 3g6e n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g6e n GLY 23 N 5.00 1.31 0.02 -0.13 0.00 -1.26 -4.93 105.19 105.20 3g6e n GLY 23 Ca 0.00 -1.77 0.05 0.00 0.00 0.00 0.00 46.02 44.30 3g6e n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6e n ALA 24 N -3.00 1.40 0.15 4.61 0.00 -1.26 -2.52 120.51 119.89 3g6e n ALA 24 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.44 3g6e n ALA 24 Cb 0.00 -1.17 0.31 0.00 0.00 0.00 0.00 19.45 18.58 3g6e n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3g6e h GLY 25 N 1.49 0.10 2.00 0.00 0.00 -1.92 0.27 103.07 105.01 3g6e h GLY 25 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3g6e h GLY 25 CO 0.00 0.08 0.00 0.84 0.00 0.00 0.00 176.54 177.46 3g6e h HIS 26 N 0.08 0.00 -0.00 5.60 6.17 -1.78 -2.11 115.15 123.11 3g6e h HIS 26 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.09 3g6e h HIS 26 Cb 0.71 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.64 3g6e h HIS 26 CO 0.00 0.00 -0.86 0.54 0.71 0.00 0.00 177.93 178.33 3g6e n ARG 27 N -3.06 0.79 -1.83 5.26 1.74 -0.83 -4.98 116.66 113.76 3g6e n ARG 27 Ca 0.01 -0.07 -0.02 0.00 -0.77 0.00 0.00 57.85 57.00 3g6e n ARG 27 Cb 0.31 -1.39 -0.00 0.00 -1.02 0.00 0.00 32.46 30.35 3g6e n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g6e n GLY 28 N 1.44 0.34 0.00 -0.13 0.00 -0.39 -4.87 105.19 101.59 3g6e n GLY 28 Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3g6e n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g6e n GLY 29 N -1.38 2.96 3.72 -0.02 0.00 0.80 -4.68 105.19 106.59 3g6e n GLY 29 Ca -0.02 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 3g6e n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3g6e s ARG 30 N -2.71 4.63 7.88 1.61 6.06 -1.26 -4.72 118.95 130.43 3g6e s ARG 30 Ca 0.00 1.41 0.00 0.00 -2.50 0.00 0.00 55.73 54.64 3g6e s ARG 30 Cb 0.00 -3.41 0.00 0.00 0.06 0.00 0.00 34.95 31.60 3g6e s ARG 30 CO 0.00 0.12 0.00 0.41 -2.50 0.00 0.00 175.30 173.33 3g6e n GLY 31 N 2.52 3.51 1.18 8.12 0.00 -1.26 -2.56 105.19 116.70 3g6e n GLY 31 Ca 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 3g6e n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g6e n ASP 32 N 5.74 2.92 -4.74 1.61 8.00 -1.26 -4.96 116.55 123.86 3g6e n ASP 32 Ca 0.00 -2.43 -0.42 0.00 0.71 0.00 0.00 54.79 52.66 3g6e n ASP 32 Cb 0.00 -0.59 -0.02 0.00 -0.02 0.00 0.00 41.12 40.49 3g6e n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g6e s ALA 33 N -1.39 3.78 -0.42 2.24 0.00 -1.06 -2.86 121.76 122.04 3g6e s ALA 33 Ca 0.19 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.67 3g6e s ALA 33 Cb 0.15 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3g6e s ALA 33 CO 0.05 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.30 3g6e n GLY 34 N 2.73 0.36 0.00 0.00 0.00 -1.26 -4.80 105.19 102.23 3g6e n GLY 34 Ca 0.10 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.40 3g6e n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3g6e n ARG 35 N -1.91 0.06 0.00 1.61 -4.01 -1.14 -1.54 116.66 109.73 3g6e n ARG 35 Ca -0.05 0.29 0.00 0.00 -1.04 0.00 0.00 57.85 57.04 3g6e n ARG 35 Cb 0.41 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.33 3g6e n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 3g6e n ASP 36 N -1.36 0.34 0.00 2.89 5.75 -1.26 -3.99 116.55 118.92 3g6e n ASP 36 Ca 0.02 -0.67 0.00 0.00 -0.01 0.00 0.00 54.79 54.13 3g6e n ASP 36 Cb 0.05 0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 3g6e n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3g6e n LYS 37 N -0.34 0.00 0.20 0.11 4.76 -0.59 -4.75 118.16 117.56 3g6e n LYS 37 Ca 0.00 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.53 3g6e n LYS 37 Cb 0.04 0.00 0.34 0.00 -1.84 0.00 0.00 35.03 33.57 3g6e n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 3g6e h HIS 38 N 0.00 0.00 -0.30 2.13 2.07 -1.94 -3.30 115.15 113.82 3g6e h HIS 38 Ca 0.00 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.32 3g6e h HIS 38 Cb 0.00 0.00 -0.15 0.00 2.57 0.00 0.00 27.41 29.83 3g6e h HIS 38 CO 0.00 0.26 -0.48 0.39 -3.07 0.00 0.00 177.93 175.04 3g6e n GLU 39 N -3.32 2.22 0.28 5.12 1.02 -0.67 -4.81 120.64 120.48 3g6e n GLU 39 Ca 0.01 -3.53 0.11 0.00 -0.02 0.00 0.00 57.16 53.73 3g6e n GLU 39 Cb 0.51 -1.86 0.77 0.00 -0.02 0.00 0.00 31.44 30.84 3g6e n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3g6e h PHE 40 N 1.35 0.00 -2.09 -0.32 -5.15 -1.64 -3.42 116.94 105.68 3g6e h PHE 40 Ca 0.16 0.00 -0.62 0.00 -0.20 0.00 0.00 57.97 57.31 3g6e h PHE 40 Cb 1.26 0.00 0.06 0.00 0.22 0.00 0.00 35.95 37.49 3g6e h PHE 40 CO 0.86 0.01 0.60 0.72 -2.00 0.00 0.00 178.31 178.49 3g6e n HIS 41 N -4.19 1.89 -1.63 6.09 -0.00 -1.26 -2.76 115.22 113.36 3g6e n HIS 41 Ca -0.03 0.46 -0.20 0.00 -0.00 0.00 0.00 57.72 57.95 3g6e n HIS 41 Cb 0.09 -2.43 -0.08 0.00 -0.00 0.00 0.00 29.99 27.57 3g6e n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3g6e n ASN 42 N 2.78 -5.47 -4.92 0.41 5.03 -1.26 -4.99 115.26 106.84 3g6e n ASN 42 Ca 0.16 0.48 -0.31 0.00 0.87 0.00 0.00 54.58 55.78 3g6e n ASN 42 Cb 0.25 -4.75 -0.04 0.00 -1.02 0.00 0.00 39.78 34.23 3g6e n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 3g6e s HIS 43 N -2.77 3.52 0.25 3.10 3.76 -1.11 -5.07 115.29 116.97 3g6e s HIS 43 Ca 0.00 0.26 -0.30 0.00 -0.15 0.00 0.00 55.06 54.87 3g6e s HIS 43 Cb 0.00 -1.77 -0.09 0.00 1.11 0.00 0.00 32.58 31.83 3g6e s HIS 43 CO 0.00 0.59 1.25 -1.21 -0.85 0.00 0.00 174.74 174.52 3g6e s GLU 44 N -2.48 4.45 0.70 1.40 0.41 -1.26 -4.97 118.70 116.94 3g6e s GLU 44 Ca 0.35 2.02 -0.16 0.00 -0.41 0.00 0.00 54.97 56.76 3g6e s GLU 44 Cb -0.13 -3.16 0.02 0.00 -1.78 0.00 0.00 34.13 29.08 3g6e s GLU 44 CO 0.27 -0.10 1.25 -1.25 -0.49 0.00 0.00 175.26 174.94 3g6e s PRO 45 N -0.92 2.30 0.49 0.39 0.04 -1.26 -4.98 135.00 131.05 3g6e s PRO 45 Ca 0.51 1.90 -0.23 0.00 0.04 0.00 0.00 61.00 63.23 3g6e s PRO 45 Cb -0.36 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 3g6e s PRO 45 CO 0.43 -1.75 1.24 -0.51 0.04 0.00 0.00 177.00 176.45 3g6e s LEU 46 N -4.82 3.96 0.00 -3.56 1.43 -1.26 -4.97 118.68 109.46 3g6e s LEU 46 Ca 0.78 2.49 0.00 0.00 -1.03 0.00 0.00 54.13 56.37 3g6e s LEU 46 Cb -0.33 -4.24 0.00 0.00 0.03 0.00 0.00 46.19 41.65 3g6e s LEU 46 CO 0.43 -1.16 0.00 0.61 0.23 0.00 0.00 176.35 176.46 3g6e n GLY 47 N 0.56 3.06 3.88 -3.19 0.00 -1.26 -5.09 105.19 103.14 3g6e n GLY 47 Ca 0.08 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.87 3g6e n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g6e s LYS 48 N -2.19 3.37 -0.12 1.61 1.02 -1.26 -5.11 119.74 117.06 3g6e s LYS 48 Ca 0.00 -0.36 -0.04 0.00 0.02 0.00 0.00 55.97 55.59 3g6e s LYS 48 Cb 0.00 -3.05 0.06 0.00 -0.52 0.00 0.00 37.83 34.32 3g6e s LYS 48 CO 0.00 0.67 0.23 0.45 -0.92 0.00 0.00 175.35 175.78 3g6e s SER 49 N -1.94 0.55 0.34 2.83 0.15 -1.26 -5.13 113.70 109.24 3g6e s SER 49 Ca 0.27 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.37 3g6e s SER 49 Cb -0.13 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 3g6e s SER 49 CO 0.18 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.99 3g6e n GLY 50 N 5.34 -1.16 3.26 9.45 0.00 -1.26 -5.00 105.19 115.81 3g6e n GLY 50 Ca -0.06 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 3g6e n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3g6e s PHE 51 N 0.00 0.72 -0.02 1.61 -0.12 -1.26 -5.17 117.98 113.74 3g6e s PHE 51 Ca 0.00 -1.06 0.06 0.00 -0.05 0.00 0.00 56.93 55.89 3g6e s PHE 51 Cb 0.00 -0.30 -0.02 0.00 -0.63 0.00 0.00 43.02 42.08 3g6e s PHE 51 CO 0.00 -0.65 -0.22 0.15 -0.05 0.00 0.00 175.22 174.46 3g6e s LYS 52 N -4.04 1.82 0.19 1.99 1.02 -1.26 -5.13 119.74 114.33 3g6e s LYS 52 Ca 0.24 -0.77 -0.17 0.00 0.02 0.00 0.00 55.97 55.29 3g6e s LYS 52 Cb 0.05 -1.73 -0.08 0.00 -0.52 0.00 0.00 37.83 35.56 3g6e s LYS 52 CO 0.04 0.45 0.65 1.03 -0.92 0.00 0.00 175.35 176.59 3g6e s ARG 53 N -0.45 4.12 0.20 1.68 0.52 -1.26 -5.02 118.95 118.75 3g6e s ARG 53 Ca 0.07 0.70 -0.33 0.00 -0.52 0.00 0.00 55.73 55.65 3g6e s ARG 53 Cb -0.09 -2.88 -0.14 0.00 0.52 0.00 0.00 34.95 32.36 3g6e s ARG 53 CO -0.00 0.42 1.47 -0.35 0.02 0.00 0.00 175.30 176.86 3g6e n PRO 54 N 0.71 2.04 -0.01 3.54 -0.04 -1.26 -4.89 135.00 135.08 3g6e n PRO 54 Ca -0.03 0.73 0.23 0.00 -0.04 0.00 0.00 63.50 64.39 3g6e n PRO 54 Cb 0.51 -2.43 0.69 0.00 -0.04 0.00 0.00 33.50 32.23 3g6e n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3g6e h GLN 55 N 4.91 0.00 -0.00 0.54 4.20 -1.96 -1.34 115.11 121.46 3g6e h GLN 55 Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 3g6e h GLN 55 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 3g6e h GLN 55 CO 0.81 0.00 -0.27 0.36 -0.67 0.00 0.00 178.83 179.06 3g6e n LYS 56 N -3.68 0.52 -0.13 1.46 2.85 -1.26 -3.28 118.16 114.63 3g6e n LYS 56 Ca 0.12 -0.26 0.09 0.00 -1.05 0.00 0.00 58.31 57.21 3g6e n LYS 56 Cb 0.85 -1.49 0.16 0.00 -0.65 0.00 0.00 35.03 33.90 3g6e n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3g6e n VAL 57 N -1.01 0.47 -3.50 0.58 0.31 -0.51 -4.93 118.33 109.74 3g6e n VAL 57 Ca 0.11 -0.74 -0.37 0.00 -0.01 0.00 0.00 64.34 63.33 3g6e n VAL 57 Cb 0.33 0.96 -0.08 0.00 -0.91 0.00 0.00 33.84 34.14 3g6e n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3g6e s GLN 58 N -1.26 4.15 -0.12 5.55 -0.21 -1.20 -5.00 119.66 121.57 3g6e s GLN 58 Ca 0.29 0.03 -0.08 0.00 0.02 0.00 0.00 55.36 55.62 3g6e s GLN 58 Cb 0.17 -3.52 -0.04 0.00 1.00 0.00 0.00 33.01 30.62 3g6e s GLN 58 CO 0.24 0.03 0.17 -1.21 -2.12 0.00 0.00 175.29 172.40 3g6e s GLU 59 N 1.11 3.58 -0.24 2.91 2.02 -1.26 -5.04 118.70 121.78 3g6e s GLU 59 Ca 0.15 -0.08 0.02 0.00 0.02 0.00 0.00 54.97 55.08 3g6e s GLU 59 Cb -0.14 -3.22 0.06 0.00 0.10 0.00 0.00 34.13 30.93 3g6e s GLU 59 CO 0.06 0.71 -0.08 -2.00 0.02 0.00 0.00 175.26 173.97 3g6e s GLU 60 N -0.87 1.94 0.19 1.61 2.12 -1.26 -5.03 118.70 117.40 3g6e s GLU 60 Ca 0.15 -1.12 -0.15 0.00 0.36 0.00 0.00 54.97 54.21 3g6e s GLU 60 Cb -0.12 -2.69 -0.07 0.00 0.26 0.00 0.00 34.13 31.50 3g6e s GLU 60 CO 0.04 -0.56 0.61 0.00 -0.54 0.00 0.00 175.26 174.81 3g6e s ALA 61 N 1.27 3.51 -0.38 6.30 0.00 -1.26 -1.20 121.76 130.00 3g6e s ALA 61 Ca -0.06 -0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.66 3g6e s ALA 61 Cb -0.19 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.33 3g6e s ALA 61 CO -0.06 0.42 0.48 0.00 0.00 0.00 0.00 175.76 176.59 3g6e s ALA 62 N -1.57 3.45 0.02 0.00 0.00 0.00 -4.97 121.76 118.69 3g6e s ALA 62 Ca 0.42 -1.24 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 3g6e s ALA 62 Cb -0.14 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 3g6e s ALA 62 CO 0.20 -1.38 0.21 0.95 0.00 0.00 0.00 175.76 175.74 3g6e s THR 63 N 2.29 5.39 -0.16 0.00 -4.23 -1.26 -1.07 115.64 116.60 3g6e s THR 63 Ca 0.16 -0.18 -0.11 0.00 -1.18 0.00 0.00 61.69 60.37 3g6e s THR 63 Cb -0.16 -3.58 0.05 0.00 1.34 0.00 0.00 72.50 70.15 3g6e s THR 63 CO 0.14 0.25 0.40 -0.51 -0.54 0.00 0.00 174.62 174.36 3g6e s ILE 64 N -1.40 -0.02 0.34 2.99 2.07 -0.92 -4.99 121.20 119.27 3g6e s ILE 64 Ca 0.31 0.06 -0.11 0.00 -1.41 0.00 0.00 60.65 59.49 3g6e s ILE 64 Cb -0.13 -0.58 -0.07 0.00 0.13 0.00 0.00 42.46 41.82 3g6e s ILE 64 CO 0.22 0.02 0.70 -1.81 -1.91 0.00 0.00 174.94 172.16 3g6e s ASP 65 N 0.90 6.60 0.53 4.50 1.01 -1.26 0.01 116.67 128.95 3g6e s ASP 65 Ca -0.06 1.09 0.18 0.00 0.71 0.00 0.00 52.55 54.47 3g6e s ASP 65 Cb -0.06 -2.30 1.33 0.00 1.01 0.00 0.00 42.92 42.90 3g6e s ASP 65 CO -0.07 -0.27 2.15 -0.37 0.21 0.00 0.00 175.17 176.81 3g6e h VAL 66 N 1.49 0.93 -0.72 -1.27 -1.51 -1.40 -2.19 116.25 111.59 3g6e h VAL 66 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 3g6e h VAL 66 Cb 1.18 0.98 -0.04 0.00 -2.13 0.00 0.00 31.29 31.29 3g6e h VAL 66 CO 0.65 0.00 0.46 -0.09 -1.23 0.00 0.00 177.57 177.36 3g6e h ARG 67 N 0.00 0.96 -0.15 5.19 2.43 -1.71 0.16 114.38 121.26 3g6e h ARG 67 Ca 0.02 -0.07 -0.20 0.00 -0.81 0.00 0.00 59.98 58.92 3g6e h ARG 67 Cb 0.08 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3g6e h ARG 67 CO -0.00 0.65 -0.72 1.49 -1.51 0.00 0.00 179.97 179.88 3g6e h GLU 68 N 0.99 0.68 -0.11 0.20 4.81 -1.70 -1.98 114.58 117.47 3g6e h GLU 68 Ca 0.26 -0.53 -0.04 0.00 -0.13 0.00 0.00 59.36 58.92 3g6e h GLU 68 Cb -0.08 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3g6e h GLU 68 CO -0.05 1.15 -0.10 0.82 -0.73 0.00 0.00 179.01 180.09 3g6e h ILE 69 N 0.47 1.35 -0.29 2.32 2.04 -1.46 -3.18 117.51 118.76 3g6e h ILE 69 Ca -0.03 -1.24 -0.08 0.00 1.00 0.00 0.00 64.86 64.50 3g6e h ILE 69 Cb 1.33 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 39.33 3g6e h ILE 69 CO 0.14 0.35 -0.17 -0.78 0.00 0.00 0.00 178.15 177.69 3g6e h ASP 70 N -0.14 0.51 1.06 1.72 3.58 -1.01 -2.94 116.42 119.21 3g6e h ASP 70 Ca 0.02 -0.15 -0.07 0.00 0.42 0.00 0.00 57.03 57.25 3g6e h ASP 70 Cb 0.61 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 3g6e h ASP 70 CO 0.03 0.70 -0.32 -0.33 -2.88 0.00 0.00 179.24 176.44 3g6e h GLU 71 N 0.47 0.00 -0.34 0.28 5.08 -1.43 -3.30 114.58 115.35 3g6e h GLU 71 Ca 0.08 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 3g6e h GLU 71 Cb 0.57 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.75 3g6e h GLU 71 CO 0.04 0.32 -0.01 0.09 -1.00 0.00 0.00 179.01 178.45 3g6e n ASN 72 N -3.38 3.05 -0.13 1.42 3.02 -1.12 -4.76 115.26 113.36 3g6e n ASN 72 Ca 0.01 -3.47 -0.13 0.00 -0.03 0.00 0.00 54.58 50.96 3g6e n ASN 72 Cb 0.52 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 3g6e n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3g6e h VAL 73 N 1.27 1.27 0.00 2.41 -1.51 -1.61 -2.00 116.25 116.08 3g6e h VAL 73 Ca 0.15 -1.51 -0.11 0.00 -1.23 0.00 0.00 66.70 64.01 3g6e h VAL 73 Cb 1.62 1.31 -0.02 0.00 -2.13 0.00 0.00 31.29 32.08 3g6e h VAL 73 CO 0.35 0.51 -0.51 0.71 -1.23 0.00 0.00 177.57 177.40 3g6e h THR 74 N 0.79 1.18 0.00 7.19 1.35 -1.88 -2.97 112.91 118.57 3g6e h THR 74 Ca 0.07 -1.88 -0.08 0.00 -0.55 0.00 0.00 66.41 63.98 3g6e h THR 74 Cb 0.93 2.07 -0.01 0.00 -1.73 0.00 0.00 68.15 69.41 3g6e h THR 74 CO 0.09 0.50 -0.42 -0.07 -0.25 0.00 0.00 175.52 175.37 3g6e h LEU 75 N 0.00 0.00 -5.91 3.87 3.38 -1.88 -3.34 115.31 111.43 3g6e h LEU 75 Ca -0.01 0.00 -0.77 0.00 0.09 0.00 0.00 57.88 57.20 3g6e h LEU 75 Cb 1.03 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.59 3g6e h LEU 75 CO 0.07 0.38 1.86 0.18 0.09 0.00 0.00 178.44 181.02 3g6e n LEU 76 N -3.18 7.75 0.02 1.67 4.77 -0.76 -4.65 117.00 122.61 3g6e n LEU 76 Ca 0.02 -5.08 0.13 0.00 -0.03 0.00 0.00 56.01 51.05 3g6e n LEU 76 Cb 0.69 -1.29 0.56 0.00 -2.33 0.00 0.00 43.42 41.05 3g6e n LEU 76 CO 0.39 2.04 0.92 0.00 -1.33 0.00 0.00 177.39 179.41 3g6e n ALA 77 N 1.07 2.24 1.56 -1.18 0.00 -1.26 -3.26 120.51 119.67 3g6e n ALA 77 Ca 0.56 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 54.06 3g6e n ALA 77 Cb 0.25 -1.44 0.78 0.00 0.00 0.00 0.00 19.45 19.04 3g6e n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g6e n ALA 78 N -1.54 2.48 -2.38 0.00 0.00 -1.26 -4.82 120.51 112.99 3g6e n ALA 78 Ca 0.06 -0.16 -0.25 0.00 0.00 0.00 0.00 53.44 53.10 3g6e n ALA 78 Cb 0.33 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 3g6e n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3g6e s ASP 79 N -2.30 4.65 0.23 0.00 1.01 -1.20 -5.10 116.67 113.96 3g6e s ASP 79 Ca 0.35 -1.14 -0.30 0.00 0.71 0.00 0.00 52.55 52.17 3g6e s ASP 79 Cb 0.19 0.08 -0.10 0.00 1.01 0.00 0.00 42.92 44.10 3g6e s ASP 79 CO 0.38 -0.91 1.49 -1.81 0.21 0.00 0.00 175.17 174.53 3g6e s ASP 80 N -4.17 6.60 -0.39 0.27 1.11 -1.20 -5.02 116.67 113.87 3g6e s ASP 80 Ca 0.37 2.69 -0.04 0.00 0.18 0.00 0.00 52.55 55.75 3g6e s ASP 80 Cb -0.01 -2.62 0.09 0.00 1.07 0.00 0.00 42.92 41.46 3g6e s ASP 80 CO 0.22 -0.75 0.19 -0.69 1.18 0.00 0.00 175.17 175.31 3g6e s VAL 81 N 0.25 3.45 0.00 -1.27 1.01 -1.26 -2.28 120.40 120.29 3g6e s VAL 81 Ca 0.62 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.79 3g6e s VAL 81 Cb -0.43 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3g6e s VAL 81 CO 0.41 -0.56 0.00 0.00 0.00 0.00 0.00 175.10 174.95 3g6e n ALA 82 N 4.67 0.00 0.63 5.51 0.00 -1.26 -4.92 120.51 125.14 3g6e n ALA 82 Ca -0.06 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.43 3g6e n ALA 82 Cb 0.42 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.17 3g6e n ALA 82 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3g6e n GLU 83 N 0.00 0.30 -3.76 0.00 0.28 -1.26 -4.93 120.64 111.27 3g6e n GLU 83 Ca 0.00 0.03 -0.36 0.00 -0.16 0.00 0.00 57.16 56.67 3g6e n GLU 83 Cb 0.00 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.31 3g6e n GLU 83 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3g6e s PHE 89 N -2.07 3.61 -0.14 -1.84 0.40 -0.56 -5.09 117.98 112.28 3g6e s PHE 89 Ca 0.15 0.62 0.00 0.00 -0.60 0.00 0.00 56.93 57.10 3g6e s PHE 89 Cb 0.07 -2.02 0.02 0.00 0.51 0.00 0.00 43.02 41.61 3g6e s PHE 89 CO 0.12 0.66 -0.13 0.50 0.70 0.00 0.00 175.22 177.08 3g6e s ARG 90 N -1.43 2.12 -0.03 0.44 3.52 -0.97 -1.09 118.95 121.52 3g6e s ARG 90 Ca 0.23 -0.50 0.00 0.00 -0.13 0.00 0.00 55.73 55.33 3g6e s ARG 90 Cb -0.13 -2.01 0.03 0.00 -1.56 0.00 0.00 34.95 31.28 3g6e s ARG 90 CO 0.12 -0.25 0.01 0.54 -0.81 0.00 0.00 175.30 174.91 3g6e s VAL 91 N 1.53 0.13 -0.42 7.11 0.11 -0.75 -3.26 120.40 124.85 3g6e s VAL 91 Ca 0.05 0.13 -0.25 0.00 -2.93 0.00 0.00 61.98 58.98 3g6e s VAL 91 Cb -0.13 -0.25 0.02 0.00 -1.53 0.00 0.00 36.38 34.50 3g6e s VAL 91 CO -0.10 0.14 0.91 -0.62 -3.33 0.00 0.00 175.10 172.10 3g6e s ASP 92 N 1.15 6.57 0.54 3.54 2.15 -1.26 -2.56 116.67 126.79 3g6e s ASP 92 Ca -0.08 0.30 0.21 0.00 0.43 0.00 0.00 52.55 53.41 3g6e s ASP 92 Cb -0.13 -2.45 1.45 0.00 -0.30 0.00 0.00 42.92 41.49 3g6e s ASP 92 CO -0.02 -0.95 2.17 0.58 -0.17 0.00 0.00 175.17 176.78 3g6e h VAL 93 N 5.95 0.83 0.00 1.11 2.07 -1.63 -2.66 116.25 121.92 3g6e h VAL 93 Ca -0.24 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3g6e h VAL 93 Cb 1.08 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3g6e h VAL 93 CO 1.00 0.02 0.00 0.03 0.02 0.00 0.00 177.57 178.64 3g6e h ARG 94 N 0.00 0.00 -0.00 1.57 3.08 -1.92 -1.19 114.38 115.92 3g6e h ARG 94 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3g6e h ARG 94 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3g6e h ARG 94 CO 0.00 0.00 -0.90 -0.25 -1.07 0.00 0.00 179.97 177.75 3g6e n ASP 95 N -3.07 0.96 -0.09 7.04 8.00 -1.00 -4.50 116.55 123.88 3g6e n ASP 95 Ca -0.02 -0.90 -0.23 0.00 0.71 0.00 0.00 54.79 54.34 3g6e n ASP 95 Cb 0.11 0.86 -0.12 0.00 -0.02 0.00 0.00 41.12 41.95 3g6e n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3g6e n VAL 96 N -1.44 1.58 -2.27 2.53 0.31 -0.47 -4.95 118.33 113.61 3g6e n VAL 96 Ca 0.04 -0.27 -0.41 0.00 -0.01 0.00 0.00 64.34 63.70 3g6e n VAL 96 Cb 0.34 -1.90 -0.03 0.00 -0.91 0.00 0.00 33.84 31.33 3g6e n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3g6e s VAL 97 N -2.44 3.28 0.42 2.52 1.01 -1.09 -5.03 120.40 119.06 3g6e s VAL 97 Ca -0.30 1.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.64 3g6e s VAL 97 Cb 0.08 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 3g6e s VAL 97 CO 0.61 0.19 0.85 -1.61 0.00 0.00 0.00 175.10 175.14 3g6e s GLU 98 N -0.49 3.93 -1.40 2.72 2.02 -1.26 -4.01 118.70 120.21 3g6e s GLU 98 Ca 0.53 0.73 -0.03 0.00 0.02 0.00 0.00 54.97 56.23 3g6e s GLU 98 Cb -0.35 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.58 3g6e s GLU 98 CO 0.40 -0.07 0.40 0.39 0.02 0.00 0.00 175.26 176.40 3g6e n GLU 99 N -1.12 -3.57 -0.02 1.61 1.02 -1.26 -4.90 120.64 112.41 3g6e n GLU 99 Ca 0.04 0.81 0.13 0.00 -0.02 0.00 0.00 57.16 58.13 3g6e n GLU 99 Cb 0.54 -5.40 0.62 0.00 -0.02 0.00 0.00 31.44 27.18 3g6e n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g6e n ALA 100 N -2.97 2.60 -0.08 0.62 0.00 -1.26 -3.52 120.51 115.91 3g6e n ALA 100 Ca -0.13 -0.33 -0.11 0.00 0.00 0.00 0.00 53.44 52.87 3g6e n ALA 100 Cb 0.62 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 18.72 3g6e n ALA 100 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3g6e h ASP 101 N 1.21 0.00 0.52 0.00 3.32 -1.92 -3.37 116.42 116.18 3g6e h ASP 101 Ca 0.00 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3g6e h ASP 101 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3g6e h ASP 101 CO 0.00 0.99 0.00 -0.90 -1.72 0.00 0.00 179.24 177.61 3g6e n ASP 102 N -4.59 0.00 -4.87 6.45 5.75 -1.25 -4.85 116.55 113.18 3g6e n ASP 102 Ca -0.14 -0.20 -0.31 0.00 -0.01 0.00 0.00 54.79 54.13 3g6e n ASP 102 Cb 0.39 -0.26 -0.05 0.00 -1.03 0.00 0.00 41.12 40.17 3g6e n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3g6e s ALA 103 N -2.53 3.45 0.06 2.12 0.00 -1.23 -4.98 121.76 118.64 3g6e s ALA 103 Ca 0.30 -0.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.90 3g6e s ALA 103 Cb 0.20 -2.58 -0.17 0.00 0.00 0.00 0.00 23.12 20.57 3g6e s ALA 103 CO 0.45 0.32 1.25 -0.44 0.00 0.00 0.00 175.76 177.34 3g6e h ASP 104 N 2.10 0.69 -5.10 0.00 3.32 -1.48 -3.48 116.42 112.46 3g6e h ASP 104 Ca -0.47 -0.63 -0.01 0.00 0.02 0.00 0.00 57.03 55.93 3g6e h ASP 104 Cb 1.18 -0.20 -0.09 0.00 0.22 0.00 0.00 39.33 40.43 3g6e h ASP 104 CO 0.66 1.21 0.04 -0.72 -1.72 0.00 0.00 179.24 178.71 3g6e s TYR 105 N -3.72 -0.07 -0.16 4.55 -0.85 -1.26 -5.05 117.35 110.79 3g6e s TYR 105 Ca -0.12 -0.29 -0.04 0.00 -0.52 0.00 0.00 57.07 56.09 3g6e s TYR 105 Cb 0.06 0.41 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 3g6e s TYR 105 CO 0.84 -0.97 -0.02 0.08 -1.52 0.00 0.00 175.55 173.96 3g6e s VAL 106 N -3.90 3.96 -0.05 -3.49 1.01 -1.26 -0.82 120.40 115.85 3g6e s VAL 106 Ca 0.11 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.81 3g6e s VAL 106 Cb -0.02 -2.75 -0.00 0.00 0.00 0.00 0.00 36.38 33.61 3g6e s VAL 106 CO -0.00 0.48 -0.20 -0.75 0.00 0.00 0.00 175.10 174.63 3g6e s LYS 107 N 0.47 2.15 -0.27 2.72 2.20 -0.24 -1.61 119.74 125.17 3g6e s LYS 107 Ca -0.03 -0.72 -0.10 0.00 -0.36 0.00 0.00 55.97 54.77 3g6e s LYS 107 Cb -0.14 -1.81 -0.04 0.00 -1.51 0.00 0.00 37.83 34.32 3g6e s LYS 107 CO 0.03 0.27 0.15 0.08 -0.36 0.00 0.00 175.35 175.51 3g6e s VAL 108 N 0.04 4.98 0.26 4.02 1.01 -0.49 -2.17 120.40 128.06 3g6e s VAL 108 Ca -0.06 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.01 3g6e s VAL 108 Cb -0.13 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 3g6e s VAL 108 CO 0.03 0.29 0.41 -0.76 0.00 0.00 0.00 175.10 175.07 3g6e s LEU 109 N 1.65 4.23 -0.82 3.92 1.43 0.10 -2.71 118.68 126.48 3g6e s LEU 109 Ca 0.07 0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 3g6e s LEU 109 Cb -0.16 -3.02 0.35 0.00 0.03 0.00 0.00 46.19 43.40 3g6e s LEU 109 CO 0.08 -0.12 1.83 0.61 0.23 0.00 0.00 176.35 178.98 3g6e n GLY 110 N -1.39 5.70 3.68 -3.19 0.00 -1.26 -1.58 105.19 107.15 3g6e n GLY 110 Ca -0.07 -2.55 -0.35 0.00 0.00 0.00 0.00 46.02 43.05 3g6e n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6e s ALA 111 N -4.03 3.59 0.00 4.61 0.00 -1.26 -4.74 121.76 119.92 3g6e s ALA 111 Ca 0.49 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.70 3g6e s ALA 111 Cb 0.38 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 21.37 3g6e s ALA 111 CO -0.33 0.08 0.00 0.41 0.00 0.00 0.00 175.76 175.92 3g6e n GLY 112 N 3.71 -1.76 3.81 0.00 0.00 -1.26 -2.74 105.19 106.94 3g6e n GLY 112 Ca -0.16 -2.10 -0.24 0.00 0.00 0.00 0.00 46.02 43.52 3g6e n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g6e s GLN 113 N -0.14 2.90 -0.34 1.61 -0.21 -1.26 -4.83 119.66 117.40 3g6e s GLN 113 Ca 0.00 -0.98 0.04 0.00 0.02 0.00 0.00 55.36 54.43 3g6e s GLN 113 Cb 0.00 -2.59 0.10 0.00 1.00 0.00 0.00 33.01 31.52 3g6e s GLN 113 CO 0.00 0.44 0.05 0.08 -2.12 0.00 0.00 175.29 173.73 3g6e s VAL 114 N -1.97 2.21 -1.25 1.09 1.01 -1.26 -4.37 120.40 115.86 3g6e s VAL 114 Ca 0.32 -2.28 0.26 0.00 0.00 0.00 0.00 61.98 60.28 3g6e s VAL 114 Cb -0.09 -2.63 0.13 0.00 0.00 0.00 0.00 36.38 33.79 3g6e s VAL 114 CO 0.24 -0.59 1.53 0.54 0.00 0.00 0.00 175.10 176.83 3g6e n ARG 115 N 4.28 0.27 -4.58 2.72 1.74 -1.26 -4.86 116.66 114.98 3g6e n ARG 115 Ca 0.03 -0.15 -0.27 0.00 -0.77 0.00 0.00 57.85 56.70 3g6e n ARG 115 Cb 0.42 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.26 3g6e n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3g6e s HIS 116 N -2.83 2.45 -0.50 -1.55 3.76 -1.26 -5.10 115.29 110.27 3g6e s HIS 116 Ca 0.16 -0.59 -0.20 0.00 -0.15 0.00 0.00 55.06 54.28 3g6e s HIS 116 Cb 0.18 -1.57 0.05 0.00 1.11 0.00 0.00 32.58 32.35 3g6e s HIS 116 CO 0.62 0.51 0.67 -1.83 -0.85 0.00 0.00 174.74 173.87 3g6e s GLU 117 N -3.66 3.18 0.01 1.40 -1.05 -1.26 -4.91 118.70 112.40 3g6e s GLU 117 Ca 0.34 -0.70 0.02 0.00 -0.15 0.00 0.00 54.97 54.48 3g6e s GLU 117 Cb 0.06 -4.06 -0.04 0.00 -0.44 0.00 0.00 34.13 29.65 3g6e s GLU 117 CO 0.17 -1.22 -0.03 -0.51 0.95 0.00 0.00 175.26 174.62 3g6e s LEU 118 N 2.86 3.35 -0.40 1.83 1.43 -1.26 -1.50 118.68 124.99 3g6e s LEU 118 Ca 0.19 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 3g6e s LEU 118 Cb -0.17 -1.93 0.11 0.00 0.03 0.00 0.00 46.19 44.23 3g6e s LEU 118 CO 0.14 0.28 0.13 -0.89 0.23 0.00 0.00 176.35 176.24 3g6e s THR 119 N -1.05 2.23 -0.14 5.49 2.01 -0.25 -3.17 115.64 120.75 3g6e s THR 119 Ca 0.19 -2.59 -0.13 0.00 0.31 0.00 0.00 61.69 59.47 3g6e s THR 119 Cb -0.11 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.74 3g6e s THR 119 CO 0.09 -0.68 0.27 -0.76 -0.69 0.00 0.00 174.62 172.85 3g6e s LEU 120 N 0.56 4.29 -0.26 4.42 1.43 -1.18 -1.81 118.68 126.13 3g6e s LEU 120 Ca 0.13 0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 53.75 3g6e s LEU 120 Cb -0.21 -2.32 0.04 0.00 0.03 0.00 0.00 46.19 43.72 3g6e s LEU 120 CO -0.06 0.18 -0.06 -0.63 0.23 0.00 0.00 176.35 176.00 3g6e s ILE 121 N 0.07 2.73 0.23 -0.59 1.01 -1.06 -0.87 121.20 122.73 3g6e s ILE 121 Ca 0.16 -1.22 -0.10 0.00 0.00 0.00 0.00 60.65 59.50 3g6e s ILE 121 Cb -0.13 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 3g6e s ILE 121 CO 0.04 0.10 0.39 0.00 0.00 0.00 0.00 174.94 175.47 3g6e s ALA 122 N 1.26 0.12 0.17 9.38 0.00 -1.15 -1.41 121.76 130.14 3g6e s ALA 122 Ca -0.03 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.89 3g6e s ALA 122 Cb -0.18 1.15 0.00 0.00 0.00 0.00 0.00 23.12 24.09 3g6e s ALA 122 CO -0.04 -0.78 1.39 -0.44 0.00 0.00 0.00 175.76 175.88 3g6e h ASP 123 N 2.35 0.18 -4.74 0.00 3.32 -1.83 -2.96 116.42 112.75 3g6e h ASP 123 Ca -0.29 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.48 3g6e h ASP 123 Cb 1.25 -0.06 -0.21 0.00 0.22 0.00 0.00 39.33 40.53 3g6e h ASP 123 CO 0.40 0.96 -0.36 -0.62 -1.72 0.00 0.00 179.24 177.90 3g6e s ASP 124 N -6.89 -0.15 0.05 6.45 2.15 -0.63 -4.30 116.67 113.35 3g6e s ASP 124 Ca -0.02 0.11 0.02 0.00 0.43 0.00 0.00 52.55 53.09 3g6e s ASP 124 Cb 0.10 0.34 -0.03 0.00 -0.30 0.00 0.00 42.92 43.04 3g6e s ASP 124 CO 0.82 -0.35 -0.08 -0.36 -0.17 0.00 0.00 175.17 175.03 3g6e s PHE 125 N -1.03 0.71 0.43 -5.34 0.40 -1.26 -1.40 117.98 110.49 3g6e s PHE 125 Ca -0.11 -0.54 0.01 0.00 -0.60 0.00 0.00 56.93 55.69 3g6e s PHE 125 Cb -0.05 -0.43 -0.01 0.00 0.51 0.00 0.00 43.02 43.04 3g6e s PHE 125 CO 0.03 -0.08 0.64 -1.54 0.70 0.00 0.00 175.22 174.97 3g6e s SER 126 N -1.73 5.91 0.33 1.36 1.04 -1.10 -4.96 113.70 114.54 3g6e s SER 126 Ca -0.07 0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.66 3g6e s SER 126 Cb -0.08 -1.59 0.58 0.00 0.10 0.00 0.00 66.02 65.02 3g6e s SER 126 CO -0.00 -0.63 1.98 -0.08 0.98 0.00 0.00 173.24 175.49 3g6e h GLU 127 N 0.47 0.92 0.00 4.02 4.81 -2.00 -1.84 114.58 120.96 3g6e h GLU 127 Ca -0.47 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3g6e h GLU 127 Cb 1.25 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.42 3g6e h GLU 127 CO 0.58 0.61 -0.03 0.78 -0.73 0.00 0.00 179.01 180.22 3g6e h GLY 128 N 0.95 0.00 1.76 1.92 0.00 -1.94 -2.62 103.07 103.14 3g6e h GLY 128 Ca 0.29 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.40 3g6e h GLY 128 CO -0.08 0.00 -1.00 0.00 0.00 0.00 0.00 176.54 175.47 3g6e h ALA 129 N 2.13 0.37 0.09 3.60 0.00 -1.64 -3.07 119.26 120.75 3g6e h ALA 129 Ca 0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 54.91 54.11 3g6e h ALA 129 Cb 0.93 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3g6e h ALA 129 CO 0.00 0.98 -0.04 0.00 0.00 0.00 0.00 179.25 180.18 3g6e h ARG 130 N 0.09 -0.12 -0.95 0.00 3.08 -1.42 -3.14 114.38 111.92 3g6e h ARG 130 Ca -0.06 0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.20 3g6e h ARG 130 Cb 1.68 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 31.67 3g6e h ARG 130 CO 0.15 0.40 0.61 0.93 -1.07 0.00 0.00 179.97 181.00 3g6e h GLU 131 N -0.80 0.51 0.00 0.04 5.08 -1.57 0.84 114.58 118.68 3g6e h GLU 131 Ca -0.01 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 3g6e h GLU 131 Cb 0.58 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3g6e h GLU 131 CO 0.02 0.34 -0.67 0.87 -1.00 0.00 0.00 179.01 178.57 3g6e h LYS 132 N 0.53 0.00 0.11 2.33 1.57 -1.64 -1.45 116.57 118.02 3g6e h LYS 132 Ca 0.51 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.95 3g6e h LYS 132 Cb 1.10 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 3g6e h LYS 132 CO -0.25 0.62 -1.82 0.28 -0.57 0.00 0.00 179.45 177.72 3g6e h VAL 133 N 0.00 0.81 -0.05 0.50 2.07 -1.20 -3.21 116.25 115.17 3g6e h VAL 133 Ca -0.01 -2.52 -0.22 0.00 0.82 0.00 0.00 66.70 64.76 3g6e h VAL 133 Cb 1.49 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.85 3g6e h VAL 133 CO 0.08 0.80 -0.87 -0.33 0.02 0.00 0.00 177.57 177.27 3g6e h GLU 134 N 0.06 0.52 0.00 1.57 5.08 -0.99 -2.51 114.58 118.31 3g6e h GLU 134 Ca -0.35 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.51 3g6e h GLU 134 Cb 2.04 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.42 3g6e h GLU 134 CO 0.12 1.13 0.00 0.78 -1.00 0.00 0.00 179.01 180.04 3g6e h GLY 135 N 1.00 0.00 -2.36 -3.84 0.00 -1.42 -2.85 103.07 93.60 3g6e h GLY 135 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.06 3g6e h GLY 135 CO 0.16 0.00 0.07 0.00 0.00 0.00 0.00 176.54 176.77 3g6e n ALA 136 N -1.90 4.25 -2.25 3.60 0.00 -1.21 -5.00 120.51 117.99 3g6e n ALA 136 Ca 0.03 -2.87 -0.03 0.00 0.00 0.00 0.00 53.44 50.57 3g6e n ALA 136 Cb 0.36 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.93 3g6e n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g6e n GLY 137 N -0.93 -2.14 0.00 0.00 0.00 -1.08 -4.46 105.19 96.58 3g6e n GLY 137 Ca 0.35 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.85 3g6e n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g6e n GLY 138 N -0.06 -0.41 3.62 -0.02 0.00 -0.95 -4.40 105.19 102.98 3g6e n GLY 138 Ca 0.04 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 3g6e n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g6e s SER 139 N 0.00 4.22 -0.16 1.61 1.04 -1.19 -3.98 113.70 115.24 3g6e s SER 139 Ca 0.00 -0.91 -0.01 0.00 0.48 0.00 0.00 55.95 55.51 3g6e s SER 139 Cb 0.00 -0.58 0.04 0.00 0.10 0.00 0.00 66.02 65.58 3g6e s SER 139 CO 0.00 -0.16 -0.04 -0.69 0.98 0.00 0.00 173.24 173.33 3g6e s VAL 140 N -2.47 0.95 -0.23 5.02 1.01 -1.26 -3.10 120.40 120.32 3g6e s VAL 140 Ca 0.34 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 3g6e s VAL 140 Cb -0.02 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 3g6e s VAL 140 CO 0.19 0.11 0.06 -1.61 0.00 0.00 0.00 175.10 173.86 3g6e s GLU 141 N 1.70 3.71 0.01 2.72 2.02 -0.04 -4.99 118.70 123.83 3g6e s GLU 141 Ca 0.01 -0.46 -0.22 0.00 0.02 0.00 0.00 54.97 54.33 3g6e s GLU 141 Cb -0.15 -3.28 -0.05 0.00 0.10 0.00 0.00 34.13 30.74 3g6e s GLU 141 CO -0.07 -0.08 0.65 -1.17 0.02 0.00 0.00 175.26 174.60 3g6e s LEU 142 N 1.32 4.42 0.93 1.80 2.96 -1.26 -2.94 118.68 125.92 3g6e s LEU 142 Ca 0.05 1.24 -0.12 0.00 -0.22 0.00 0.00 54.13 55.08 3g6e s LEU 142 Cb -0.15 -3.01 0.15 0.00 0.50 0.00 0.00 46.19 43.68 3g6e s LEU 142 CO 0.03 0.07 1.11 -0.89 -1.32 0.00 0.00 176.35 175.35 3g6e s THR 143 N -0.13 2.27 0.27 3.68 2.01 -1.12 -4.90 115.64 117.73 3g6e s THR 143 Ca 0.33 0.09 0.27 0.00 0.31 0.00 0.00 61.69 62.69 3g6e s THR 143 Cb -0.19 -2.70 0.28 0.00 0.01 0.00 0.00 72.50 69.90 3g6e s THR 143 CO 0.19 -0.11 1.97 0.44 -0.69 0.00 0.00 174.62 176.41 3g6e h ASP 144 N -1.61 0.00 0.98 3.53 3.32 -1.98 -1.62 116.42 119.05 3g6e h ASP 144 Ca -0.51 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.33 3g6e h ASP 144 Cb 1.32 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.83 3g6e h ASP 144 CO 0.59 0.15 -1.05 0.25 -1.72 0.00 0.00 179.24 177.46 3g6e h LEU 145 N 0.00 0.00 0.00 1.55 6.46 -1.95 -3.26 115.31 118.11 3g6e h LEU 145 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3g6e h LEU 145 Cb 0.52 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 3g6e h LEU 145 CO 0.02 0.95 0.00 0.61 -0.62 0.00 0.00 178.44 179.40 3g6e n GLY 146 N 1.36 -0.83 2.27 3.75 0.00 -0.61 -4.25 105.19 106.88 3g6e n GLY 146 Ca -0.02 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 3g6e n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3g6e n GLU 147 N -0.86 2.94 -0.00 1.61 1.02 -1.19 -4.01 120.64 120.13 3g6e n GLU 147 Ca 0.15 -2.02 0.05 0.00 -0.02 0.00 0.00 57.16 55.31 3g6e n GLU 147 Cb 0.07 -2.33 -0.08 0.00 -0.02 0.00 0.00 31.44 29.08 3g6e n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3g6e n GLU 148 N 2.22 0.92 -1.74 3.49 1.02 -1.26 -4.89 120.64 120.40 3g6e n GLU 148 Ca 0.56 -0.08 -0.40 0.00 -0.02 0.00 0.00 57.16 57.22 3g6e n GLU 148 Cb 0.56 -1.21 -0.03 0.00 -0.02 0.00 0.00 31.44 30.74 3g6e n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3g6e n ARG 149 N -1.76 2.20 0.00 3.49 1.74 -1.26 -5.28 116.66 115.80 3g6e n ARG 149 Ca -0.01 -2.43 0.00 0.00 -0.77 0.00 0.00 57.85 54.64 3g6e n ARG 149 Cb 0.26 -3.28 0.00 0.00 -1.02 0.00 0.00 32.46 28.42 3g6e n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05