#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s13 h GLN 11 N 0.00 0.25 -6.75 -0.52 4.15 -2.01 -3.35 115.11 106.88 1s13 h GLN 11 Ca 0.00 -0.32 -0.51 0.00 0.77 0.00 0.00 58.65 58.58 1s13 h GLN 11 Cb 0.00 0.10 0.02 0.00 0.21 0.00 0.00 27.48 27.81 1s13 h GLN 11 CO 0.00 1.07 0.51 -0.51 -1.93 0.00 0.00 178.83 177.97 1s13 s ASP 12 N -7.01 7.18 0.25 -0.69 1.01 -1.26 -4.89 116.67 111.26 1s13 s ASP 12 Ca -0.04 2.26 -0.04 0.00 0.71 0.00 0.00 52.55 55.45 1s13 s ASP 12 Cb 0.09 -2.62 0.46 0.00 1.01 0.00 0.00 42.92 41.86 1s13 s ASP 12 CO 0.85 -0.25 1.74 0.25 0.21 0.00 0.00 175.17 177.98 1s13 h LEU 13 N 4.39 0.37 -1.42 1.23 5.85 -1.90 0.64 115.31 124.47 1s13 h LEU 13 Ca -0.46 0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.48 1s13 h LEU 13 Cb 1.21 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.24 1s13 h LEU 13 CO 0.70 0.16 0.52 0.77 -0.34 0.00 0.00 178.44 180.25 1s13 h SER 14 N 0.51 0.56 0.44 1.25 4.64 -1.90 0.90 113.55 119.95 1s13 h SER 14 Ca 0.42 0.02 -0.31 0.00 -0.47 0.00 0.00 61.79 61.46 1s13 h SER 14 Cb 0.60 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1s13 h SER 14 CO -0.37 0.31 -1.65 -0.33 -0.87 0.00 0.00 176.83 173.92 1s13 h GLU 15 N 0.60 0.15 -0.67 4.77 5.08 -1.47 -3.10 114.58 119.95 1s13 h GLU 15 Ca 0.38 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1s13 h GLU 15 Cb 0.65 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 1s13 h GLU 15 CO -0.15 0.93 0.30 0.00 -1.00 0.00 0.00 179.01 179.08 1s13 h ALA 16 N 0.60 0.86 -0.71 3.43 0.00 -0.24 -1.81 119.26 121.40 1s13 h ALA 16 Ca -0.28 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1s13 h ALA 16 Cb 2.00 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 1s13 h ALA 16 CO 0.12 0.45 0.27 -0.07 0.00 0.00 0.00 179.25 180.02 1s13 h LEU 17 N 0.93 0.99 -0.61 0.00 3.38 -0.96 -0.88 115.31 118.15 1s13 h LEU 17 Ca 0.23 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1s13 h LEU 17 Cb 0.16 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1s13 h LEU 17 CO -0.02 0.90 0.20 0.50 0.09 0.00 0.00 178.44 180.11 1s13 h LYS 18 N 1.02 0.94 -0.03 1.13 3.64 -1.40 -2.69 116.57 119.18 1s13 h LYS 18 Ca 0.23 -0.20 -0.26 0.00 -1.27 0.00 0.00 60.65 59.16 1s13 h LYS 18 Cb 0.23 -0.14 0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1s13 h LYS 18 CO -0.02 0.83 -0.99 1.49 -2.27 0.00 0.00 179.45 178.50 1s13 h GLU 19 N 0.87 0.73 0.00 1.90 4.81 -1.18 -3.00 114.58 118.71 1s13 h GLU 19 Ca 0.20 -0.74 -0.04 0.00 -0.13 0.00 0.00 59.36 58.65 1s13 h GLU 19 Cb 0.27 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1s13 h GLU 19 CO -0.01 1.32 -0.20 0.00 -0.73 0.00 0.00 179.01 179.39 1s13 h ALA 20 N 0.43 1.10 -0.12 2.92 0.00 -1.17 -2.89 119.26 119.53 1s13 h ALA 20 Ca -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1s13 h ALA 20 Cb 1.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1s13 h ALA 20 CO 0.20 0.25 0.00 0.25 0.00 0.00 0.00 179.25 179.95 1s13 n THR 21 N -3.47 0.13 -0.23 0.00 -2.24 -1.02 -4.39 114.28 103.07 1s13 n THR 21 Ca -0.01 -0.55 0.02 0.00 -2.27 0.00 0.00 64.05 61.24 1s13 n THR 21 Cb 0.37 1.32 0.14 0.00 -2.10 0.00 0.00 70.33 70.05 1s13 n THR 21 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1s13 h LYS 22 N 4.54 0.43 0.53 -0.78 3.64 -1.36 -0.42 116.57 123.16 1s13 h LYS 22 Ca 0.00 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1s13 h LYS 22 Cb 0.97 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1s13 h LYS 22 CO 0.00 0.28 -0.26 1.49 -2.27 0.00 0.00 179.45 178.70 1s13 h GLU 23 N 0.44 -0.69 0.00 1.90 4.81 -1.79 -2.81 114.58 116.44 1s13 h GLU 23 Ca 0.35 0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.59 1s13 h GLU 23 Cb 0.45 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 1s13 h GLU 23 CO -0.33 -0.41 -0.14 -0.39 -0.73 0.00 0.00 179.01 177.01 1s13 h VAL 24 N -0.86 0.74 -0.44 0.32 -1.51 -1.78 -2.42 116.25 110.31 1s13 h VAL 24 Ca -0.07 -0.54 -0.13 0.00 -1.23 0.00 0.00 66.70 64.73 1s13 h VAL 24 Cb 0.60 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.08 1s13 h VAL 24 CO 0.12 0.13 -0.24 -0.74 -1.23 0.00 0.00 177.57 175.61 1s13 h HIS 25 N 0.00 1.04 0.00 5.19 -0.00 -0.99 -1.11 115.15 119.29 1s13 h HIS 25 Ca -0.00 -0.25 -0.06 0.00 -0.00 0.00 0.00 60.37 60.06 1s13 h HIS 25 Cb 0.31 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.47 1s13 h HIS 25 CO 0.00 1.04 -0.28 1.15 -0.00 0.00 0.00 177.93 179.84 1s13 h THR 26 N 0.78 1.19 -0.15 6.26 2.02 -1.18 -1.15 112.91 120.68 1s13 h THR 26 Ca 0.10 -0.97 -0.15 0.00 0.77 0.00 0.00 66.41 66.16 1s13 h THR 26 Cb 0.79 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.72 1s13 h THR 26 CO 0.07 0.28 -0.55 1.56 0.37 0.00 0.00 175.52 177.25 1s13 h GLN 27 N 0.00 0.46 0.31 6.66 4.20 -1.16 -1.48 115.11 124.10 1s13 h GLN 27 Ca -0.00 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.41 1s13 h GLN 27 Cb 0.50 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1s13 h GLN 27 CO 0.04 0.88 -0.15 0.00 -0.67 0.00 0.00 178.83 178.93 1s13 h ALA 28 N 1.06 -0.42 -0.62 3.87 0.00 -0.05 -1.85 119.26 121.25 1s13 h ALA 28 Ca 0.01 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.90 1s13 h ALA 28 Cb 1.07 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1s13 h ALA 28 CO 0.10 -0.69 0.41 0.93 0.00 0.00 0.00 179.25 180.00 1s13 h GLU 29 N -0.51 0.38 -0.00 0.00 5.08 -1.22 -0.53 114.58 117.77 1s13 h GLU 29 Ca -0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1s13 h GLU 29 Cb 0.38 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1s13 h GLU 29 CO 0.07 0.25 -0.02 0.09 -1.00 0.00 0.00 179.01 178.40 1s13 n ASN 30 N -4.47 0.32 -4.68 1.42 4.13 -0.57 -3.80 115.26 107.62 1s13 n ASN 30 Ca 0.10 -0.85 -0.42 0.00 1.68 0.00 0.00 54.58 55.09 1s13 n ASN 30 Cb 0.40 -0.06 -0.03 0.00 -1.54 0.00 0.00 39.78 38.55 1s13 n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1s13 s ALA 31 N -2.19 3.64 0.21 5.41 0.00 -0.21 -4.76 121.76 123.86 1s13 s ALA 31 Ca 0.40 1.04 -0.21 0.00 0.00 0.00 0.00 51.96 53.18 1s13 s ALA 31 Cb 0.21 -3.69 0.16 0.00 0.00 0.00 0.00 23.12 19.80 1s13 s ALA 31 CO 0.40 -1.15 1.55 1.49 0.00 0.00 0.00 175.76 178.05 1s13 h GLU 32 N 8.60 -0.02 -0.60 0.00 4.81 -1.88 1.82 114.58 127.30 1s13 h GLU 32 Ca -0.40 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.92 1s13 h GLU 32 Cb 1.19 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.50 1s13 h GLU 32 CO 0.93 -0.02 0.22 0.35 -0.73 0.00 0.00 179.01 179.76 1s13 h PHE 33 N -0.02 0.38 0.00 0.92 3.57 -1.90 0.58 116.94 120.47 1s13 h PHE 33 Ca 0.29 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.70 1s13 h PHE 33 Cb 0.56 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1s13 h PHE 33 CO -0.88 0.09 -0.57 1.98 -2.23 0.00 0.00 178.31 176.70 1s13 h MET 34 N 0.40 0.00 -0.20 1.11 4.05 -0.66 -2.25 114.93 117.38 1s13 h MET 34 Ca 0.30 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.58 1s13 h MET 34 Cb 0.37 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 1s13 h MET 34 CO -0.31 0.57 -0.42 -0.09 0.23 0.00 0.00 176.91 176.89 1s13 h ARG 35 N 0.00 0.64 0.00 0.39 2.43 0.40 -2.08 114.38 116.15 1s13 h ARG 35 Ca -0.01 -0.42 -0.06 0.00 -0.81 0.00 0.00 59.98 58.69 1s13 h ARG 35 Cb 1.20 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1s13 h ARG 35 CO 0.07 1.04 -0.27 -0.91 -1.51 0.00 0.00 179.97 178.39 1s13 h ASN 36 N 0.33 0.00 -0.04 -3.80 -0.26 0.17 -2.83 115.58 109.15 1s13 h ASN 36 Ca 0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.72 1s13 h ASN 36 Cb 1.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.28 1s13 h ASN 36 CO 0.09 0.27 -0.07 0.15 -1.06 0.00 0.00 177.43 176.81 1s13 h PHE 37 N 0.00 0.16 0.00 1.19 3.04 -1.20 -2.89 116.94 117.23 1s13 h PHE 37 Ca -0.00 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.89 1s13 h PHE 37 Cb 0.54 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.02 1s13 h PHE 37 CO 0.00 0.65 0.00 1.96 -2.02 0.00 0.00 178.31 178.90 1s13 h GLN 38 N -0.39 0.00 -0.64 1.11 4.20 -1.17 -1.61 115.11 116.62 1s13 h GLN 38 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1s13 h GLN 38 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1s13 h GLN 38 CO 0.02 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.81 1s13 n LYS 39 N -2.82 3.91 0.00 1.46 4.76 -1.09 -4.95 118.16 119.43 1s13 n LYS 39 Ca -0.02 -2.70 0.00 0.00 -2.87 0.00 0.00 58.31 52.72 1s13 n LYS 39 Cb 0.09 -1.99 0.00 0.00 -1.84 0.00 0.00 35.03 31.29 1s13 n LYS 39 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s13 n GLY 40 N 0.87 2.08 3.55 0.72 0.00 -0.61 -4.97 105.19 106.83 1s13 n GLY 40 Ca 0.24 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 1s13 n GLY 40 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1s13 s GLN 41 N 0.00 2.25 -0.18 1.61 -2.07 -1.10 -4.83 119.66 115.33 1s13 s GLN 41 Ca 0.00 1.23 -0.08 0.00 -1.82 0.00 0.00 55.36 54.69 1s13 s GLN 41 Cb 0.00 -4.53 0.08 0.00 -1.09 0.00 0.00 33.01 27.46 1s13 s GLN 41 CO 0.00 -3.12 0.40 0.54 -1.32 0.00 0.00 175.29 171.79 1s13 s VAL 42 N 11.37 -0.39 0.68 3.63 0.11 -1.26 -3.81 120.40 130.72 1s13 s VAL 42 Ca 0.90 0.15 -0.11 0.00 -2.93 0.00 0.00 61.98 59.99 1s13 s VAL 42 Cb -0.16 -0.62 -0.00 0.00 -1.53 0.00 0.00 36.38 34.06 1s13 s VAL 42 CO 0.25 0.06 1.07 0.42 -3.33 0.00 0.00 175.10 173.57 1s13 s THR 43 N 2.14 3.97 0.21 5.04 -4.23 -1.26 -4.77 115.64 116.73 1s13 s THR 43 Ca -0.04 0.64 -0.04 0.00 -1.18 0.00 0.00 61.69 61.06 1s13 s THR 43 Cb -0.11 -3.58 0.01 0.00 1.34 0.00 0.00 72.50 70.15 1s13 s THR 43 CO -0.12 -0.84 1.59 -0.09 -0.54 0.00 0.00 174.62 174.62 1s13 h ARG 44 N -0.57 0.71 0.00 3.99 2.43 -1.95 -1.81 114.38 117.18 1s13 h ARG 44 Ca -0.45 -0.33 -0.07 0.00 -0.81 0.00 0.00 59.98 58.32 1s13 h ARG 44 Cb 1.23 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1s13 h ARG 44 CO 0.62 0.94 -0.35 -0.44 -1.51 0.00 0.00 179.97 179.23 1s13 h ASP 45 N 0.60 0.00 0.41 -3.80 3.32 -1.99 -0.77 116.42 114.18 1s13 h ASP 45 Ca 0.06 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.87 1s13 h ASP 45 Cb 0.85 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.41 1s13 h ASP 45 CO 0.07 0.35 -1.06 1.23 -1.72 0.00 0.00 179.24 178.12 1s13 h GLY 46 N 1.18 0.43 1.93 2.75 0.00 -1.85 -2.55 103.07 104.97 1s13 h GLY 46 Ca -0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 47.33 46.34 1s13 h GLY 46 CO 0.05 0.75 -0.58 -2.75 0.00 0.00 0.00 176.54 174.01 1s13 h PHE 47 N 0.19 0.09 -0.45 5.60 3.57 -1.02 -2.61 116.94 122.32 1s13 h PHE 47 Ca -0.11 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.24 1s13 h PHE 47 Cb 1.72 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.43 1s13 h PHE 47 CO 0.07 0.63 -0.20 0.87 -2.23 0.00 0.00 178.31 177.44 1s13 h LYS 48 N 0.06 0.91 -0.29 1.11 1.57 -1.10 -1.89 116.57 116.93 1s13 h LYS 48 Ca -0.00 -0.37 -0.05 0.00 -1.87 0.00 0.00 60.65 58.36 1s13 h LYS 48 Cb 1.03 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1s13 h LYS 48 CO 0.08 1.02 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.88 1s13 h LEU 49 N 0.79 0.41 -0.00 2.94 3.38 -1.18 0.25 115.31 121.90 1s13 h LEU 49 Ca 0.11 -0.08 -0.25 0.00 0.09 0.00 0.00 57.88 57.76 1s13 h LEU 49 Cb 0.75 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1s13 h LEU 49 CO 0.06 0.50 -1.10 -0.37 0.09 0.00 0.00 178.44 177.62 1s13 h VAL 50 N 0.43 1.52 -0.26 1.22 -1.51 -1.29 -1.33 116.25 115.02 1s13 h VAL 50 Ca 0.09 -2.96 -0.11 0.00 -1.23 0.00 0.00 66.70 62.49 1s13 h VAL 50 Cb 0.33 2.78 -0.01 0.00 -2.13 0.00 0.00 31.29 32.26 1s13 h VAL 50 CO 0.01 0.86 -0.30 0.24 -1.23 0.00 0.00 177.57 177.15 1s13 h MET 51 N 0.09 0.53 -0.23 5.19 2.86 -0.94 0.64 114.93 123.06 1s13 h MET 51 Ca -0.09 -0.23 -0.08 0.00 -2.06 0.00 0.00 59.70 57.24 1s13 h MET 51 Cb 1.81 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.45 1s13 h MET 51 CO 0.18 0.78 -0.17 0.00 1.06 0.00 0.00 176.91 178.76 1s13 h ALA 52 N 1.22 0.33 -0.14 6.32 0.00 -0.95 -1.94 119.26 124.10 1s13 h ALA 52 Ca 0.06 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.67 1s13 h ALA 52 Cb 0.76 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1s13 h ALA 52 CO 0.06 0.24 -0.08 0.77 0.00 0.00 0.00 179.25 180.24 1s13 h SER 53 N 0.23 -0.26 -0.96 0.00 0.02 -0.96 -2.42 113.55 109.19 1s13 h SER 53 Ca 0.05 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1s13 h SER 53 Cb 0.69 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.31 1s13 h SER 53 CO 0.04 -0.11 0.62 -0.07 -1.14 0.00 0.00 176.83 176.17 1s13 h LEU 54 N -0.07 1.00 0.09 5.07 3.38 -0.78 -1.78 115.31 122.21 1s13 h LEU 54 Ca 0.08 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1s13 h LEU 54 Cb 0.19 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1s13 h LEU 54 CO -0.19 0.65 -0.18 0.22 0.09 0.00 0.00 178.44 179.03 1s13 h TYR 55 N 1.14 -0.47 -0.38 1.13 3.20 -0.87 -0.23 116.97 120.49 1s13 h TYR 55 Ca 0.41 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.26 1s13 h TYR 55 Cb 0.12 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1s13 h TYR 55 CO -0.01 -0.26 0.12 0.45 -1.64 0.00 0.00 178.16 176.81 1s13 h HIS 56 N -0.34 0.61 -0.06 -3.82 3.86 -1.21 -0.83 115.15 113.36 1s13 h HIS 56 Ca 0.03 -0.06 0.03 0.00 -1.16 0.00 0.00 60.37 59.21 1s13 h HIS 56 Cb 0.36 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.62 1s13 h HIS 56 CO -0.19 0.58 -0.15 0.82 0.86 0.00 0.00 177.93 179.86 1s13 h ILE 57 N 0.47 0.62 0.00 2.45 2.04 -1.20 -2.08 117.51 119.81 1s13 h ILE 57 Ca 0.12 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.89 1s13 h ILE 57 Cb 0.26 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1s13 h ILE 57 CO -0.00 0.00 -0.43 1.88 0.00 0.00 0.00 178.15 179.59 1s13 h TYR 58 N -0.22 0.00 -0.11 1.37 0.05 -0.96 0.01 116.97 117.12 1s13 h TYR 58 Ca 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 1s13 h TYR 58 Cb 0.31 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.05 1s13 h TYR 58 CO -0.23 0.43 0.02 0.28 -1.05 0.00 0.00 178.16 177.61 1s13 h VAL 59 N 0.00 1.20 -0.07 -2.88 2.07 -0.90 -0.24 116.25 115.44 1s13 h VAL 59 Ca -0.00 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1s13 h VAL 59 Cb 0.78 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1s13 h VAL 59 CO 0.06 0.18 0.05 0.00 0.02 0.00 0.00 177.57 177.88 1s13 h ALA 60 N 0.81 0.09 -0.45 1.67 0.00 -1.17 -1.84 119.26 118.36 1s13 h ALA 60 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1s13 h ALA 60 Cb 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1s13 h ALA 60 CO 0.00 -0.41 0.17 1.25 0.00 0.00 0.00 179.25 180.27 1s13 h LEU 61 N 0.09 0.63 -1.14 0.00 5.85 -0.92 -2.53 115.31 117.28 1s13 h LEU 61 Ca 0.03 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1s13 h LEU 61 Cb 0.00 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1s13 h LEU 61 CO -0.01 0.63 -0.14 -0.33 -0.34 0.00 0.00 178.44 178.26 1s13 h GLU 62 N 0.59 0.00 -0.06 1.25 5.08 -0.96 -1.20 114.58 119.27 1s13 h GLU 62 Ca 0.15 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1s13 h GLU 62 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1s13 h GLU 62 CO -0.01 0.14 -0.07 0.93 -1.00 0.00 0.00 179.01 178.99 1s13 h GLU 63 N 0.00 0.16 -0.23 2.33 5.08 -1.10 -2.30 114.58 118.52 1s13 h GLU 63 Ca -0.00 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1s13 h GLU 63 Cb 0.69 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1s13 h GLU 63 CO 0.02 0.62 -0.19 0.93 -1.00 0.00 0.00 179.01 179.39 1s13 h GLU 64 N -0.29 0.40 -0.44 2.33 4.39 -1.20 -1.84 114.58 117.93 1s13 h GLU 64 Ca 0.01 -0.13 -0.10 0.00 0.34 0.00 0.00 59.36 59.48 1s13 h GLU 64 Cb 0.60 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1s13 h GLU 64 CO 0.02 0.58 -0.14 0.82 -1.16 0.00 0.00 179.01 179.13 1s13 h ILE 65 N 0.37 1.26 -0.62 3.13 2.04 -1.21 -1.99 117.51 120.49 1s13 h ILE 65 Ca 0.06 -1.24 -0.05 0.00 1.00 0.00 0.00 64.86 64.63 1s13 h ILE 65 Cb 0.54 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1s13 h ILE 65 CO 0.04 0.42 0.19 -0.33 0.00 0.00 0.00 178.15 178.47 1s13 h GLU 66 N 0.74 0.97 -0.50 2.37 4.39 -0.90 0.15 114.58 121.80 1s13 h GLU 66 Ca 0.12 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 1s13 h GLU 66 Cb 0.65 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1s13 h GLU 66 CO 0.05 0.86 0.23 -0.09 -1.16 0.00 0.00 179.01 178.90 1s13 h ARG 67 N 0.89 0.70 -0.45 2.33 2.43 -1.02 -3.07 114.38 116.18 1s13 h ARG 67 Ca 0.20 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1s13 h ARG 67 Cb 0.30 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1s13 h ARG 67 CO -0.01 0.55 0.00 0.09 -1.51 0.00 0.00 179.97 179.09 1s13 n ASN 68 N -4.38 3.49 -0.38 -3.80 4.13 -0.78 -4.69 115.26 108.86 1s13 n ASN 68 Ca 0.04 -2.19 0.35 0.00 1.68 0.00 0.00 54.58 54.46 1s13 n ASN 68 Cb 0.13 -0.37 0.69 0.00 -1.54 0.00 0.00 39.78 38.69 1s13 n ASN 68 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1s13 h LYS 69 N 2.71 0.10 -0.01 3.52 2.10 -0.61 0.63 116.57 125.01 1s13 h LYS 69 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1s13 h LYS 69 Cb 0.97 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1s13 h LYS 69 CO 0.06 0.07 -0.57 0.39 -2.00 0.00 0.00 179.45 177.40 1s13 n GLU 70 N -4.33 1.07 -2.10 0.07 1.02 -1.26 -3.86 120.64 111.25 1s13 n GLU 70 Ca 0.29 -0.76 -0.41 0.00 -0.02 0.00 0.00 57.16 56.26 1s13 n GLU 70 Cb 1.28 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 31.22 1s13 n GLU 70 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1s13 s SER 71 N -2.51 6.75 0.65 1.62 0.15 0.21 -4.73 113.70 115.86 1s13 s SER 71 Ca 0.15 2.56 0.42 0.00 0.70 0.00 0.00 55.95 59.79 1s13 s SER 71 Cb 0.17 -2.62 2.33 0.00 -1.71 0.00 0.00 66.02 64.19 1s13 s SER 71 CO 0.61 -0.63 2.36 1.55 1.20 0.00 0.00 173.24 178.33 1s13 h PRO 72 N 5.11 0.00 0.00 5.44 0.13 -1.93 0.53 132.00 141.28 1s13 h PRO 72 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1s13 h PRO 72 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1s13 h PRO 72 CO 0.77 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 179.87 1s13 n VAL 73 N -3.22 0.18 0.00 1.56 0.24 -1.26 -4.32 118.33 111.51 1s13 n VAL 73 Ca -0.03 0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1s13 n VAL 73 Cb 0.07 -0.61 0.00 0.00 -1.47 0.00 0.00 33.84 31.83 1s13 n VAL 73 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1s13 n PHE 74 N -1.34 0.00 -0.33 6.34 7.35 0.13 -4.76 117.46 124.86 1s13 n PHE 74 Ca 0.11 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.93 1s13 n PHE 74 Cb 0.23 0.00 0.26 0.00 0.35 0.00 0.00 39.48 40.32 1s13 n PHE 74 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1s13 n ALA 75 N -0.44 0.46 -0.16 3.13 0.00 0.16 -0.85 120.51 122.81 1s13 n ALA 75 Ca 0.00 1.02 0.18 0.00 0.00 0.00 0.00 53.44 54.64 1s13 n ALA 75 Cb 0.00 -0.73 0.56 0.00 0.00 0.00 0.00 19.45 19.28 1s13 n ALA 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1s13 h PRO 76 N 0.00 0.29 -0.53 0.00 0.11 -1.84 -1.41 132.00 128.62 1s13 h PRO 76 Ca 0.56 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.65 1s13 h PRO 76 Cb 1.13 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1s13 h PRO 76 CO -0.90 0.19 0.00 1.33 -0.21 0.00 0.00 178.00 178.42 1s13 n VAL 77 N -4.45 2.59 -2.70 3.15 0.24 -0.03 -4.83 118.33 112.30 1s13 n VAL 77 Ca 0.15 -1.47 -0.42 0.00 -2.04 0.00 0.00 64.34 60.56 1s13 n VAL 77 Cb 0.63 -0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 32.74 1s13 n VAL 77 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1s13 s TYR 78 N -2.67 2.62 -0.54 6.34 5.04 -0.53 -4.91 117.35 122.69 1s13 s TYR 78 Ca 0.52 0.06 0.07 0.00 -2.44 0.00 0.00 57.07 55.27 1s13 s TYR 78 Cb 0.39 -4.35 0.24 0.00 0.35 0.00 0.00 41.96 38.59 1s13 s TYR 78 CO 0.16 -1.61 0.62 1.19 -1.34 0.00 0.00 175.55 174.57 1s13 n PHE 79 N 8.19 1.88 -0.02 4.97 3.72 -1.26 -4.99 117.46 129.95 1s13 n PHE 79 Ca 0.04 -3.90 -0.09 0.00 -0.05 0.00 0.00 57.45 53.45 1s13 n PHE 79 Cb 0.48 -0.44 -0.02 0.00 -0.94 0.00 0.00 39.48 38.56 1s13 n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1s13 h PRO 80 N 4.28 -0.25 -0.24 -1.08 0.13 -1.97 -1.75 132.00 131.12 1s13 h PRO 80 Ca 0.15 0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 65.25 1s13 h PRO 80 Cb 0.76 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 1s13 h PRO 80 CO 0.66 -0.16 -0.05 0.93 -0.23 0.00 0.00 178.00 179.15 1s13 h GLU 81 N -0.25 0.45 -0.08 0.86 4.39 -1.97 -0.76 114.58 117.21 1s13 h GLU 81 Ca 0.11 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 1s13 h GLU 81 Cb 0.43 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1s13 h GLU 81 CO -0.32 0.67 -0.35 0.93 -1.16 0.00 0.00 179.01 178.78 1s13 h GLU 82 N 0.20 0.16 0.00 2.33 3.07 -1.80 -3.39 114.58 115.15 1s13 h GLU 82 Ca 0.06 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1s13 h GLU 82 Cb 0.50 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1s13 h GLU 82 CO 0.02 0.50 -1.30 1.28 -1.40 0.00 0.00 179.01 178.11 1s13 n LEU 83 N -4.09 0.00 -4.48 1.33 4.77 -0.66 -4.57 117.00 109.29 1s13 n LEU 83 Ca -0.01 0.00 -0.48 0.00 -0.03 0.00 0.00 56.01 55.49 1s13 n LEU 83 Cb 0.42 0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 1s13 n LEU 83 CO 0.40 0.02 0.28 0.00 -1.33 0.00 0.00 177.39 176.76 1s13 n HIS 84 N -1.78 0.30 -0.06 -1.77 1.44 -0.30 -4.90 115.22 108.16 1s13 n HIS 84 Ca -0.02 0.87 0.00 0.00 -2.01 0.00 0.00 57.72 56.56 1s13 n HIS 84 Cb 0.23 -2.09 0.00 0.00 0.12 0.00 0.00 29.99 28.25 1s13 n HIS 84 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 1s13 n ARG 85 N 1.05 3.62 -0.02 -1.40 3.00 -1.26 -4.83 116.66 116.82 1s13 n ARG 85 Ca 0.15 -0.05 -0.09 0.00 -0.00 0.00 0.00 57.85 57.86 1s13 n ARG 85 Cb 0.26 -0.40 -0.04 0.00 0.00 0.00 0.00 32.46 32.28 1s13 n ARG 85 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1s13 h LYS 86 N 0.00 0.04 -0.11 -0.14 3.64 -1.90 -1.43 116.57 116.67 1s13 h LYS 86 Ca 0.00 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1s13 h LYS 86 Cb 0.03 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1s13 h LYS 86 CO 0.00 0.03 -0.14 0.00 -2.27 0.00 0.00 179.45 177.07 1s13 h ALA 87 N 1.13 -0.07 -0.77 5.00 0.00 -1.99 0.90 119.26 123.46 1s13 h ALA 87 Ca 0.07 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1s13 h ALA 87 Cb 0.09 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1s13 h ALA 87 CO -0.12 -0.60 0.47 0.00 0.00 0.00 0.00 179.25 179.00 1s13 h ALA 88 N 0.87 1.03 -0.16 0.00 0.00 -1.83 -1.15 119.26 118.03 1s13 h ALA 88 Ca 0.09 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1s13 h ALA 88 Cb 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1s13 h ALA 88 CO -0.22 0.21 -0.23 -0.07 0.00 0.00 0.00 179.25 178.94 1s13 h LEU 89 N 0.87 0.28 -0.42 0.00 3.38 -0.69 -1.79 115.31 116.94 1s13 h LEU 89 Ca 0.33 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 1s13 h LEU 89 Cb 0.12 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1s13 h LEU 89 CO -0.15 0.52 0.05 -0.33 0.09 0.00 0.00 178.44 178.62 1s13 h GLU 90 N 0.26 0.70 -0.48 1.13 5.08 0.35 -0.67 114.58 120.95 1s13 h GLU 90 Ca 0.04 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1s13 h GLU 90 Cb 0.56 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1s13 h GLU 90 CO 0.04 0.75 0.32 1.96 -1.00 0.00 0.00 179.01 181.07 1s13 h GLN 91 N 0.55 0.63 -0.23 2.33 1.08 -0.98 -1.77 115.11 116.72 1s13 h GLN 91 Ca 0.13 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.26 1s13 h GLN 91 Cb 0.40 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1s13 h GLN 91 CO 0.01 0.41 0.02 -0.44 -0.95 0.00 0.00 178.83 177.88 1s13 h ASP 92 N 0.64 0.38 0.09 1.46 3.45 -1.19 -2.91 116.42 118.35 1s13 h ASP 92 Ca 0.18 -0.29 -0.02 0.00 0.43 0.00 0.00 57.03 57.33 1s13 h ASP 92 Cb -0.07 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 38.60 1s13 h ASP 92 CO -0.04 0.58 -0.09 -0.07 -1.57 0.00 0.00 179.24 178.04 1s13 h LEU 93 N 0.17 0.00 -0.87 1.55 4.07 -1.01 0.10 115.31 119.32 1s13 h LEU 93 Ca 0.07 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.94 1s13 h LEU 93 Cb 0.37 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 1s13 h LEU 93 CO 0.01 0.09 -0.11 0.00 -1.08 0.00 0.00 178.44 177.35 1s13 h ALA 94 N 1.91 1.05 0.01 1.53 0.00 -1.13 0.34 119.26 122.97 1s13 h ALA 94 Ca -0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1s13 h ALA 94 Cb 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1s13 h ALA 94 CO 0.01 0.58 -0.01 0.35 0.00 0.00 0.00 179.25 180.18 1s13 h PHE 95 N 0.65 -0.02 0.00 0.00 3.57 -0.88 -0.37 116.94 119.89 1s13 h PHE 95 Ca 0.11 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 1s13 h PHE 95 Cb 0.57 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1s13 h PHE 95 CO 0.03 0.67 -0.38 -1.49 -2.23 0.00 0.00 178.31 174.91 1s13 h TRP 96 N -0.74 0.00 0.00 0.41 4.06 -0.86 -3.31 115.95 115.51 1s13 h TRP 96 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1s13 h TRP 96 Cb 0.70 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.86 1s13 h TRP 96 CO 0.17 0.38 0.00 0.66 -3.56 0.00 0.00 178.44 176.09 1s13 n TYR 97 N -3.66 0.00 0.00 0.49 4.01 0.10 -5.07 117.16 113.02 1s13 n TYR 97 Ca -0.01 -0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1s13 n TYR 97 Cb 0.48 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 1s13 n TYR 97 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s13 n GLY 98 N -0.20 -1.25 0.34 2.72 0.00 -0.15 -3.96 105.19 102.69 1s13 n GLY 98 Ca 0.00 -1.60 0.18 0.00 0.00 0.00 0.00 46.02 44.60 1s13 n GLY 98 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s13 h PRO 99 N 0.00 0.00 -0.85 1.61 0.13 -1.91 -1.72 132.00 129.26 1s13 h PRO 99 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 1s13 h PRO 99 Cb 0.00 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 30.87 1s13 h PRO 99 CO 0.00 0.00 0.48 0.54 -0.23 0.00 0.00 178.00 178.79 1s13 n ARG 100 N -3.52 2.20 -0.21 0.86 1.74 -1.26 -4.71 116.66 111.76 1s13 n ARG 100 Ca 0.01 -3.09 0.00 0.00 -0.77 0.00 0.00 57.85 54.00 1s13 n ARG 100 Cb 0.33 -2.11 0.08 0.00 -1.02 0.00 0.00 32.46 29.75 1s13 n ARG 100 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 1s13 h TRP 101 N 1.09 -0.20 -0.65 -1.55 5.08 -1.43 -1.40 115.95 116.89 1s13 h TRP 101 Ca 0.54 0.05 0.19 0.00 1.08 0.00 0.00 58.89 60.75 1s13 h TRP 101 Cb 2.43 0.19 -0.03 0.00 -3.00 0.00 0.00 29.16 28.75 1s13 h TRP 101 CO 1.45 -0.23 0.59 1.96 -1.28 0.00 0.00 178.44 180.93 1s13 h GLN 102 N 0.05 0.00 0.00 0.12 4.20 -1.87 0.22 115.11 117.82 1s13 h GLN 102 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1s13 h GLN 102 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1s13 h GLN 102 CO -0.60 0.00 -0.74 0.39 -0.67 0.00 0.00 178.83 177.21 1s13 n GLU 103 N -3.88 0.08 -0.00 1.46 1.02 -0.53 -4.46 120.64 114.33 1s13 n GLU 103 Ca 0.13 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.28 1s13 n GLU 103 Cb 0.83 -1.53 -0.01 0.00 -0.02 0.00 0.00 31.44 30.70 1s13 n GLU 103 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1s13 n VAL 104 N -1.63 0.00 -2.19 2.62 3.14 0.59 -5.05 118.33 115.81 1s13 n VAL 104 Ca 0.04 -0.38 -0.38 0.00 -2.96 0.00 0.00 64.34 60.66 1s13 n VAL 104 Cb 0.36 0.91 -0.01 0.00 -1.06 0.00 0.00 33.84 34.04 1s13 n VAL 104 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 1s13 s ILE 105 N -1.36 2.93 0.52 1.55 -4.36 -0.16 -5.00 121.20 115.33 1s13 s ILE 105 Ca 0.01 0.78 -0.18 0.00 -0.26 0.00 0.00 60.65 60.99 1s13 s ILE 105 Cb 0.02 -3.43 -0.07 0.00 1.25 0.00 0.00 42.46 40.22 1s13 s ILE 105 CO 0.08 0.07 1.03 -2.16 0.24 0.00 0.00 174.94 174.20 1s13 s PRO 106 N -2.38 3.70 -0.41 0.37 0.04 -1.26 -5.02 135.00 130.03 1s13 s PRO 106 Ca 0.59 1.22 0.05 0.00 0.04 0.00 0.00 61.00 62.89 1s13 s PRO 106 Cb -0.33 -2.09 0.18 0.00 0.04 0.00 0.00 34.50 32.30 1s13 s PRO 106 CO 0.41 -0.50 0.37 0.98 0.04 0.00 0.00 177.00 178.30 1s13 n TYR 107 N -1.40 -0.81 -1.72 0.56 9.36 -1.26 -4.81 117.16 117.07 1s13 n TYR 107 Ca 0.08 -3.35 -0.29 0.00 3.32 0.00 0.00 57.90 57.66 1s13 n TYR 107 Cb 0.53 0.18 0.10 0.00 -0.63 0.00 0.00 39.34 39.52 1s13 n TYR 107 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 1s13 s THR 108 N -0.12 2.32 0.27 2.97 -4.23 -1.26 -4.81 115.64 110.78 1s13 s THR 108 Ca 0.33 0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.94 1s13 s THR 108 Cb 0.06 -2.98 0.27 0.00 1.34 0.00 0.00 72.50 71.19 1s13 s THR 108 CO -0.19 -0.14 1.85 -0.65 -0.54 0.00 0.00 174.62 174.95 1s13 h PRO 109 N -1.18 0.99 -0.19 3.99 0.11 -2.01 0.15 132.00 133.86 1s13 h PRO 109 Ca -0.48 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 1s13 h PRO 109 Cb 1.31 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1s13 h PRO 109 CO 0.63 0.66 -0.31 0.00 -0.21 0.00 0.00 178.00 178.77 1s13 h ALA 110 N 1.50 1.11 -0.18 -0.75 0.00 -1.94 -0.16 119.26 118.84 1s13 h ALA 110 Ca 0.46 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1s13 h ALA 110 Cb 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1s13 h ALA 110 CO -0.23 0.56 -0.43 0.52 0.00 0.00 0.00 179.25 179.67 1s13 h MET 111 N 0.34 0.62 -0.28 0.00 2.86 -1.65 -2.82 114.93 113.99 1s13 h MET 111 Ca 0.04 -0.42 -0.03 0.00 -2.06 0.00 0.00 59.70 57.24 1s13 h MET 111 Cb 0.72 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 1s13 h MET 111 CO 0.05 1.04 0.05 1.96 1.06 0.00 0.00 176.91 181.07 1s13 h GLN 112 N 0.29 0.41 -0.03 1.72 4.20 -0.39 -2.01 115.11 119.30 1s13 h GLN 112 Ca -0.00 -0.06 -0.19 0.00 0.06 0.00 0.00 58.65 58.46 1s13 h GLN 112 Cb 1.04 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 1s13 h GLN 112 CO 0.09 0.40 -0.80 0.00 -0.67 0.00 0.00 178.83 177.85 1s13 h ARG 113 N 0.40 0.28 -0.42 1.46 3.08 -0.99 -0.62 114.38 117.58 1s13 h ARG 113 Ca 0.09 -0.27 -0.14 0.00 0.07 0.00 0.00 59.98 59.74 1s13 h ARG 113 Cb 0.20 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1s13 h ARG 113 CO -0.00 0.94 -0.28 -0.92 -1.07 0.00 0.00 179.97 178.64 1s13 h TYR 114 N 0.18 1.09 -0.47 3.04 5.03 -1.21 -2.37 116.97 122.25 1s13 h TYR 114 Ca -0.04 -0.29 -0.10 0.00 2.58 0.00 0.00 58.73 60.87 1s13 h TYR 114 Cb 1.40 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 39.42 1s13 h TYR 114 CO 0.04 1.11 -0.10 0.28 -1.32 0.00 0.00 178.16 178.16 1s13 h VAL 115 N 0.76 1.27 -0.00 1.81 2.07 -1.32 -2.34 116.25 118.50 1s13 h VAL 115 Ca 0.08 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.39 1s13 h VAL 115 Cb 0.87 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1s13 h VAL 115 CO 0.08 0.42 -0.09 0.50 0.02 0.00 0.00 177.57 178.50 1s13 h LYS 116 N 0.75 -0.16 -0.73 1.57 3.64 -0.98 -1.53 116.57 119.15 1s13 h LYS 116 Ca 0.12 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1s13 h LYS 116 Cb 0.65 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.47 1s13 h LYS 116 CO 0.04 -0.10 0.44 -0.09 -2.27 0.00 0.00 179.45 177.47 1s13 h ARG 117 N -0.16 0.98 -0.66 1.90 9.65 -1.38 -0.90 114.38 123.81 1s13 h ARG 117 Ca 0.04 -0.09 0.10 0.00 -1.10 0.00 0.00 59.98 58.93 1s13 h ARG 117 Cb 0.21 -0.21 -0.07 0.00 -1.39 0.00 0.00 29.97 28.51 1s13 h ARG 117 CO -0.10 0.69 0.28 -0.07 2.80 0.00 0.00 179.97 183.58 1s13 h LEU 118 N 0.99 0.32 -0.48 3.80 4.07 -1.09 0.11 115.31 123.03 1s13 h LEU 118 Ca 0.26 0.08 -0.17 0.00 0.08 0.00 0.00 57.88 58.13 1s13 h LEU 118 Cb -0.04 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1s13 h LEU 118 CO -0.05 0.18 -0.65 0.45 -1.08 0.00 0.00 178.44 177.29 1s13 h HIS 119 N 0.48 0.56 -0.32 1.13 3.86 -0.81 -1.74 115.15 118.32 1s13 h HIS 119 Ca 0.34 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1s13 h HIS 119 Cb 0.41 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 1s13 h HIS 119 CO -0.14 0.96 0.21 0.93 0.86 0.00 0.00 177.93 180.75 1s13 h GLU 120 N 0.31 0.42 0.21 2.45 5.08 0.02 -1.27 114.58 121.80 1s13 h GLU 120 Ca -0.01 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1s13 h GLU 120 Cb 1.20 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1s13 h GLU 120 CO 0.11 0.29 -0.10 0.28 -1.00 0.00 0.00 179.01 178.59 1s13 h VAL 121 N 0.43 0.82 -0.69 3.13 2.07 -0.71 0.11 116.25 121.40 1s13 h VAL 121 Ca 0.12 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.59 1s13 h VAL 121 Cb -0.04 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1s13 h VAL 121 CO -0.02 0.02 0.46 1.23 0.02 0.00 0.00 177.57 179.27 1s13 h GLY 122 N -0.32 0.92 0.64 2.17 0.00 -1.20 -0.58 103.07 104.70 1s13 h GLY 122 Ca -0.03 -0.30 -0.33 0.00 0.00 0.00 0.00 47.33 46.67 1s13 h GLY 122 CO 0.05 0.24 -1.96 0.54 0.00 0.00 0.00 176.54 175.41 1s13 n ARG 123 N -4.47 0.68 0.00 4.80 1.74 -0.49 -4.53 116.66 114.39 1s13 n ARG 123 Ca 0.10 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 1s13 n ARG 123 Cb 0.19 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.92 1s13 n ARG 123 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1s13 n THR 124 N -3.12 0.00 -2.93 0.55 -2.24 0.36 -4.83 114.28 102.07 1s13 n THR 124 Ca -0.26 -0.35 -0.17 0.00 -2.27 0.00 0.00 64.05 61.00 1s13 n THR 124 Cb 1.06 0.91 -0.01 0.00 -2.10 0.00 0.00 70.33 70.20 1s13 n THR 124 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s13 n GLU 125 N -0.89 1.51 -0.25 -0.78 1.02 -0.32 -4.97 120.64 115.96 1s13 n GLU 125 Ca 0.00 -3.62 0.06 0.00 -0.02 0.00 0.00 57.16 53.58 1s13 n GLU 125 Cb 0.00 -1.67 0.18 0.00 -0.02 0.00 0.00 31.44 29.93 1s13 n GLU 125 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1s13 h PRO 126 N 2.96 0.22 0.00 3.49 0.11 -1.54 -1.43 132.00 135.81 1s13 h PRO 126 Ca 0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1s13 h PRO 126 Cb 0.97 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1s13 h PRO 126 CO 0.57 0.15 0.46 0.93 -0.21 0.00 0.00 178.00 179.90 1s13 h GLU 127 N 0.23 0.00 -0.00 1.05 3.07 -1.86 0.12 114.58 117.19 1s13 h GLU 127 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 1s13 h GLU 127 Cb 0.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1s13 h GLU 127 CO -0.55 0.00 -0.73 1.28 -1.40 0.00 0.00 179.01 177.61 1s13 n LEU 128 N -2.28 1.20 -0.16 1.33 4.77 -0.54 -4.52 117.00 116.80 1s13 n LEU 128 Ca -0.01 -0.59 0.16 0.00 -0.03 0.00 0.00 56.01 55.54 1s13 n LEU 128 Cb 0.49 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 42.08 1s13 n LEU 128 CO 0.06 0.26 1.21 0.25 -1.33 0.00 0.00 177.39 177.84 1s13 h LEU 129 N 0.72 0.38 -1.88 2.23 5.85 -0.85 0.79 115.31 122.55 1s13 h LEU 129 Ca 0.00 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1s13 h LEU 129 Cb 0.52 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1s13 h LEU 129 CO 0.00 0.20 0.17 -0.37 -0.34 0.00 0.00 178.44 178.09 1s13 h VAL 130 N 0.41 0.96 -0.77 1.05 -1.51 -1.79 -0.92 116.25 113.67 1s13 h VAL 130 Ca 0.37 -0.05 -0.01 0.00 -1.23 0.00 0.00 66.70 65.78 1s13 h VAL 130 Cb 0.86 0.79 -0.04 0.00 -2.13 0.00 0.00 31.29 30.78 1s13 h VAL 130 CO -0.12 0.03 0.46 0.00 -1.23 0.00 0.00 177.57 176.71 1s13 h ALA 131 N 1.87 0.99 0.04 5.19 0.00 -1.13 0.30 119.26 126.51 1s13 h ALA 131 Ca 0.11 -0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 1s13 h ALA 131 Cb 0.23 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1s13 h ALA 131 CO -0.02 0.46 -1.02 0.45 0.00 0.00 0.00 179.25 179.12 1s13 h HIS 132 N 1.06 0.47 -0.46 0.00 -0.00 -1.35 -2.15 115.15 112.71 1s13 h HIS 132 Ca 0.28 -0.28 -0.04 0.00 -0.00 0.00 0.00 60.37 60.32 1s13 h HIS 132 Cb -0.03 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 1s13 h HIS 132 CO -0.01 1.14 0.12 0.00 -0.00 0.00 0.00 177.93 179.19 1s13 h ALA 133 N 0.76 0.60 0.58 2.45 0.00 -0.91 -1.80 119.26 120.94 1s13 h ALA 133 Ca -0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1s13 h ALA 133 Cb 1.69 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 19.31 1s13 h ALA 133 CO 0.17 0.28 -0.28 -0.92 0.00 0.00 0.00 179.25 178.50 1s13 h TYR 134 N 0.61 -0.72 -0.50 0.00 3.20 -0.44 -0.47 116.97 118.64 1s13 h TYR 134 Ca 0.15 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.10 1s13 h TYR 134 Cb 0.30 0.24 -0.08 0.00 1.54 0.00 0.00 36.73 38.73 1s13 h TYR 134 CO 0.02 -0.43 0.00 1.15 -1.64 0.00 0.00 178.16 177.26 1s13 h THR 135 N -0.81 0.61 0.07 1.81 2.02 -1.33 -2.29 112.91 112.99 1s13 h THR 135 Ca -0.08 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1s13 h THR 135 Cb 0.61 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1s13 h THR 135 CO 0.13 0.02 -0.03 0.03 0.37 0.00 0.00 175.52 176.04 1s13 h ARG 136 N 0.12 -0.09 0.44 6.66 2.47 -1.30 -3.05 114.38 119.63 1s13 h ARG 136 Ca 0.25 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.97 1s13 h ARG 136 Cb 0.38 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.70 1s13 h ARG 136 CO -0.42 -0.06 -0.39 1.88 0.56 0.00 0.00 179.97 181.55 1s13 h TYR 137 N -0.27 -1.05 0.00 3.04 0.05 -1.16 0.54 116.97 118.13 1s13 h TYR 137 Ca -0.01 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 1s13 h TYR 137 Cb 0.07 0.40 -0.00 0.00 1.01 0.00 0.00 36.73 38.21 1s13 h TYR 137 CO 0.05 -0.55 -0.14 -0.07 -1.05 0.00 0.00 178.16 176.40 1s13 h LEU 138 N -0.83 0.00 0.03 3.88 3.38 -1.55 -0.06 115.31 120.15 1s13 h LEU 138 Ca -0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1s13 h LEU 138 Cb 0.73 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.49 1s13 h LEU 138 CO -0.03 0.14 -0.48 1.23 0.09 0.00 0.00 178.44 179.39 1s13 h GLY 139 N 1.25 0.31 2.00 0.83 0.00 -1.32 -3.14 103.07 103.00 1s13 h GLY 139 Ca -0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 1s13 h GLY 139 CO 0.02 0.52 -0.26 -0.55 0.00 0.00 0.00 176.54 176.27 1s13 h ASP 140 N -0.36 0.00 -0.43 0.19 3.32 0.31 0.98 116.42 120.44 1s13 h ASP 140 Ca -0.07 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.86 1s13 h ASP 140 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1s13 h ASP 140 CO 0.09 0.26 -0.22 -0.07 -1.72 0.00 0.00 179.24 177.59 1s13 h LEU 141 N 0.00 0.96 0.00 1.55 3.38 -1.09 -0.41 115.31 119.70 1s13 h LEU 141 Ca -0.00 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 1s13 h LEU 141 Cb 0.85 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1s13 h LEU 141 CO 0.03 1.13 -0.14 0.28 0.09 0.00 0.00 178.44 179.84 1s13 h SER 142 N 0.81 0.00 -0.28 -0.43 0.02 -1.46 -3.39 113.55 108.81 1s13 h SER 142 Ca 0.11 -0.43 -0.10 0.00 -0.84 0.00 0.00 61.79 60.52 1s13 h SER 142 Cb 0.78 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 1s13 h SER 142 CO 0.06 0.79 -0.18 1.23 -1.14 0.00 0.00 176.83 177.60 1s13 h GLY 143 N -1.00 0.80 0.00 -3.77 0.00 -0.91 -3.37 103.07 94.82 1s13 h GLY 143 Ca -0.03 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1s13 h GLY 143 CO -0.02 0.59 0.00 0.61 0.00 0.00 0.00 176.54 177.72 1s13 n GLY 144 N -0.35 -2.52 0.25 4.60 0.00 -0.16 0.39 105.19 107.40 1s13 n GLY 144 Ca 0.01 0.48 0.06 0.00 0.00 0.00 0.00 46.02 46.57 1s13 n GLY 144 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1s13 h GLN 145 N 0.00 0.00 0.00 1.61 3.07 -1.80 -0.43 115.11 117.55 1s13 h GLN 145 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 1s13 h GLN 145 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.56 1s13 h GLN 145 CO 0.00 0.00 -0.02 0.28 0.09 0.00 0.00 178.83 179.18 1s13 h VAL 146 N 0.00 0.51 -0.21 1.86 2.07 -0.27 -3.26 116.25 116.95 1s13 h VAL 146 Ca 0.00 -1.39 -0.08 0.00 0.82 0.00 0.00 66.70 66.05 1s13 h VAL 146 Cb 1.11 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1s13 h VAL 146 CO 0.00 0.17 -0.23 -0.07 0.02 0.00 0.00 177.57 177.46 1s13 h LEU 147 N -1.00 0.38 0.31 2.57 -0.00 -0.89 -2.75 115.31 113.93 1s13 h LEU 147 Ca -0.00 -0.12 -0.00 0.00 -0.00 0.00 0.00 57.88 57.76 1s13 h LEU 147 Cb 0.30 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 40.84 1s13 h LEU 147 CO -0.00 0.62 -0.30 0.50 -0.00 0.00 0.00 178.44 179.26 1s13 h LYS 148 N 0.34 -0.61 0.43 1.13 3.64 -1.30 0.12 116.57 120.32 1s13 h LYS 148 Ca 0.05 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1s13 h LYS 148 Cb 0.60 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 1s13 h LYS 148 CO 0.04 -0.41 -0.50 -0.22 -2.27 0.00 0.00 179.45 176.09 1s13 h LYS 149 N -0.63 -0.92 -0.73 1.90 1.63 -1.58 0.24 116.57 116.48 1s13 h LYS 149 Ca -0.02 0.06 0.13 0.00 -0.85 0.00 0.00 60.65 59.98 1s13 h LYS 149 Cb 0.57 0.21 -0.13 0.00 -0.60 0.00 0.00 32.23 32.28 1s13 h LYS 149 CO -0.05 -0.61 -0.28 0.82 -3.45 0.00 0.00 179.45 175.87 1s13 h ILE 150 N -0.95 0.17 0.59 2.00 2.04 -1.35 -2.07 117.51 117.93 1s13 h ILE 150 Ca -0.05 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1s13 h ILE 150 Cb 0.84 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1s13 h ILE 150 CO -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 178.15 177.77 1s13 h ALA 151 N 1.38 -0.79 -0.37 1.87 0.00 -0.75 -2.40 119.26 118.19 1s13 h ALA 151 Ca 0.31 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1s13 h ALA 151 Cb 0.57 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 1s13 h ALA 151 CO -0.78 -0.85 -0.02 0.94 0.00 0.00 0.00 179.25 178.55 1s13 n GLN 152 N -5.36 -0.03 -0.10 0.00 7.27 0.81 -0.90 117.38 119.08 1s13 n GLN 152 Ca -0.12 0.56 -0.17 0.00 0.07 0.00 0.00 57.00 57.34 1s13 n GLN 152 Cb 0.34 -0.88 -0.08 0.00 2.41 0.00 0.00 30.24 32.03 1s13 n GLN 152 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 1s13 n LYS 153 N -4.41 0.53 0.02 3.69 2.85 -1.14 -3.60 118.16 116.11 1s13 n LYS 153 Ca 0.08 0.53 0.01 0.00 -1.05 0.00 0.00 58.31 57.88 1s13 n LYS 153 Cb 0.26 -1.70 0.05 0.00 -0.65 0.00 0.00 35.03 32.99 1s13 n LYS 153 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1s13 n ALA 154 N -3.58 0.85 -0.08 0.58 0.00 -0.50 -1.89 120.51 115.89 1s13 n ALA 154 Ca -0.26 0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.10 1s13 n ALA 154 Cb 0.57 -0.88 -0.11 0.00 0.00 0.00 0.00 19.45 19.04 1s13 n ALA 154 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s13 n LEU 155 N -1.50 1.08 -1.52 0.00 4.77 -0.07 -4.84 117.00 114.92 1s13 n LEU 155 Ca -0.00 -0.04 -0.14 0.00 -0.03 0.00 0.00 56.01 55.81 1s13 n LEU 155 Cb 0.08 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1s13 n LEU 155 CO 0.01 0.53 -0.17 0.47 -1.33 0.00 0.00 177.39 176.90 1s13 n ASP 156 N -2.74 -4.23 -4.39 -1.43 9.92 -0.79 -4.98 116.55 107.92 1s13 n ASP 156 Ca -0.28 0.01 -0.33 0.00 -0.53 0.00 0.00 54.79 53.66 1s13 n ASP 156 Cb 0.94 -3.37 0.12 0.00 -0.64 0.00 0.00 41.12 38.17 1s13 n ASP 156 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1s13 n LEU 157 N -1.92 -0.64 -4.79 0.64 -0.00 -1.26 -4.97 117.00 104.05 1s13 n LEU 157 Ca -0.16 0.29 -0.29 0.00 -0.00 0.00 0.00 56.01 55.85 1s13 n LEU 157 Cb 0.61 -1.17 0.11 0.00 -0.00 0.00 0.00 43.42 42.97 1s13 n LEU 157 CO 0.19 -3.72 0.71 -2.84 -0.00 0.00 0.00 177.39 171.72 1s13 s PRO 158 N -3.54 1.65 -0.02 1.47 0.02 -1.26 -4.92 135.00 128.39 1s13 s PRO 158 Ca 0.56 0.52 0.00 0.00 0.02 0.00 0.00 61.00 62.10 1s13 s PRO 158 Cb -0.20 -1.88 0.02 0.00 0.02 0.00 0.00 34.50 32.46 1s13 s PRO 158 CO 0.68 -1.90 1.44 0.43 -0.33 0.00 0.00 177.00 177.33 1s13 n SER 159 N -3.60 4.05 0.00 2.53 7.64 -1.26 -4.18 113.62 118.79 1s13 n SER 159 Ca 0.07 -2.24 0.08 0.00 1.01 0.00 0.00 58.87 57.79 1s13 n SER 159 Cb 0.57 -0.77 0.35 0.00 -1.01 0.00 0.00 64.21 63.36 1s13 n SER 159 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1s13 n SER 160 N 0.83 0.00 -2.97 6.43 3.41 -1.26 -4.89 113.62 115.17 1s13 n SER 160 Ca 0.03 0.43 -0.20 0.00 -0.26 0.00 0.00 58.87 58.87 1s13 n SER 160 Cb 0.53 -0.47 0.06 0.00 -0.26 0.00 0.00 64.21 64.08 1s13 n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s13 n GLY 161 N 0.15 -0.31 3.59 5.00 0.00 -1.26 -5.00 105.19 107.37 1s13 n GLY 161 Ca 0.04 0.08 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 1s13 n GLY 161 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1s13 s GLU 162 N -5.97 1.18 0.00 1.61 -1.05 -1.26 -4.99 118.70 108.23 1s13 s GLU 162 Ca 0.44 -0.54 0.00 0.00 -0.15 0.00 0.00 54.97 54.72 1s13 s GLU 162 Cb -0.19 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 1s13 s GLU 162 CO 0.54 -0.53 0.00 0.41 0.95 0.00 0.00 175.26 176.63 1s13 n GLY 163 N -0.37 1.14 0.29 -3.83 0.00 -1.26 -4.93 105.19 96.23 1s13 n GLY 163 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.99 1s13 n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s13 n LEU 164 N 0.00 1.54 0.09 0.99 4.77 -1.26 -4.80 117.00 118.33 1s13 n LEU 164 Ca 0.00 -2.40 0.05 0.00 -0.03 0.00 0.00 56.01 53.63 1s13 n LEU 164 Cb 0.00 -0.28 0.49 0.00 -2.33 0.00 0.00 43.42 41.30 1s13 n LEU 164 CO 0.00 0.59 1.11 0.00 -1.33 0.00 0.00 177.39 177.76 1s13 h ALA 165 N 0.09 1.78 -0.96 -1.18 0.00 -1.92 -2.57 119.26 114.50 1s13 h ALA 165 Ca -0.01 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.08 1s13 h ALA 165 Cb 1.16 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 1s13 h ALA 165 CO 0.00 0.20 0.62 0.35 0.00 0.00 0.00 179.25 180.42 1s13 h PHE 166 N 0.36 0.67 0.00 0.00 3.57 -1.87 -1.51 116.94 118.16 1s13 h PHE 166 Ca 0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1s13 h PHE 166 Cb -0.01 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.53 1s13 h PHE 166 CO 0.00 0.15 0.00 1.19 -2.23 0.00 0.00 178.31 177.42 1s13 n PHE 167 N -4.58 0.00 -4.26 0.41 3.72 -0.97 -4.71 117.46 107.08 1s13 n PHE 167 Ca 0.21 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.35 1s13 n PHE 167 Cb 0.72 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 39.09 1s13 n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1s13 s THR 168 N -2.00 1.16 -0.75 4.37 2.01 -0.57 -4.57 115.64 115.28 1s13 s THR 168 Ca 0.27 -0.43 -0.13 0.00 0.31 0.00 0.00 61.69 61.71 1s13 s THR 168 Cb 0.12 -1.10 0.20 0.00 0.01 0.00 0.00 72.50 71.73 1s13 s THR 168 CO 0.21 0.38 0.68 -0.36 -0.69 0.00 0.00 174.62 174.84 1s13 s PHE 169 N 1.18 3.64 0.57 4.92 0.40 -1.26 -4.93 117.98 122.50 1s13 s PHE 169 Ca -0.04 -1.92 0.35 0.00 -0.60 0.00 0.00 56.93 54.72 1s13 s PHE 169 Cb -0.14 -3.76 1.97 0.00 0.51 0.00 0.00 43.02 41.60 1s13 s PHE 169 CO -0.03 -0.99 2.26 -1.00 0.70 0.00 0.00 175.22 176.17 1s13 h PRO 170 N 7.94 0.00 -0.70 0.24 0.13 -1.94 -2.65 132.00 135.03 1s13 h PRO 170 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1s13 h PRO 170 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1s13 h PRO 170 CO 0.80 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 178.68 1s13 n ASN 171 N -3.53 3.89 -3.81 1.44 5.03 -1.26 -4.67 115.26 112.34 1s13 n ASN 171 Ca -0.03 -2.53 -0.30 0.00 0.87 0.00 0.00 54.58 52.60 1s13 n ASN 171 Cb 0.11 -0.58 -0.15 0.00 -1.02 0.00 0.00 39.78 38.13 1s13 n ASN 171 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1s13 s ILE 172 N -2.04 1.11 0.10 2.41 1.01 -1.00 -4.60 121.20 118.18 1s13 s ILE 172 Ca 0.35 -1.31 -0.18 0.00 0.00 0.00 0.00 60.65 59.51 1s13 s ILE 172 Cb 0.26 -1.69 -0.06 0.00 0.01 0.00 0.00 42.46 40.97 1s13 s ILE 172 CO 0.12 -0.46 1.57 0.00 0.00 0.00 0.00 174.94 176.17 1s13 h ALA 173 N 8.03 0.38 -3.38 9.38 0.00 -1.85 -3.42 119.26 128.40 1s13 h ALA 173 Ca -0.14 -0.19 -0.57 0.00 0.00 0.00 0.00 54.91 54.01 1s13 h ALA 173 Cb 1.05 -0.11 -0.38 0.00 0.00 0.00 0.00 17.79 18.35 1s13 h ALA 173 CO 0.44 0.07 -0.80 0.45 0.00 0.00 0.00 179.25 179.41 1s13 s SER 174 N -5.89 3.09 0.31 0.00 0.15 -1.26 -5.00 113.70 105.09 1s13 s SER 174 Ca -0.13 -0.78 0.01 0.00 0.70 0.00 0.00 55.95 55.74 1s13 s SER 174 Cb 0.08 -1.01 0.53 0.00 -1.71 0.00 0.00 66.02 63.91 1s13 s SER 174 CO 0.75 -0.18 1.93 0.00 1.20 0.00 0.00 173.24 176.93 1s13 h ALA 175 N 8.07 1.51 -0.46 5.45 0.00 -1.99 -1.00 119.26 130.83 1s13 h ALA 175 Ca -0.24 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1s13 h ALA 175 Cb 1.10 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1s13 h ALA 175 CO 0.42 0.38 0.02 1.15 0.00 0.00 0.00 179.25 181.22 1s13 h THR 176 N 1.02 1.26 -0.27 0.00 2.02 -1.99 -0.80 112.91 114.15 1s13 h THR 176 Ca 0.37 -1.01 -0.07 0.00 0.77 0.00 0.00 66.41 66.46 1s13 h THR 176 Cb 0.14 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1s13 h THR 176 CO -0.13 0.35 -0.11 0.11 0.37 0.00 0.00 175.52 176.12 1s13 h LYS 177 N 0.66 0.55 -0.73 6.66 6.56 -1.87 -2.20 116.57 126.21 1s13 h LYS 177 Ca 0.13 -0.23 -0.03 0.00 -1.06 0.00 0.00 60.65 59.46 1s13 h LYS 177 Cb 0.47 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 32.07 1s13 h LYS 177 CO 0.02 0.79 0.32 0.35 -2.06 0.00 0.00 179.45 178.87 1s13 h PHE 178 N 0.29 1.08 -0.19 -1.35 3.57 -1.13 -0.77 116.94 118.44 1s13 h PHE 178 Ca 0.06 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1s13 h PHE 178 Cb 0.61 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1s13 h PHE 178 CO 0.06 0.81 0.10 0.87 -2.23 0.00 0.00 178.31 177.92 1s13 h LYS 179 N 1.03 0.21 -0.66 1.11 1.57 -1.10 0.51 116.57 119.23 1s13 h LYS 179 Ca 0.25 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.11 1s13 h LYS 179 Cb 0.16 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.35 1s13 h LYS 179 CO -0.03 0.14 0.29 0.37 -0.57 0.00 0.00 179.45 179.65 1s13 h GLN 180 N 0.22 0.49 -0.43 3.15 4.15 -0.99 0.32 115.11 122.01 1s13 h GLN 180 Ca 0.08 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 1s13 h GLN 180 Cb 0.00 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 1s13 h GLN 180 CO -0.04 0.32 -0.09 1.25 -1.93 0.00 0.00 178.83 178.34 1s13 h LEU 181 N 0.50 0.83 -0.65 -2.39 5.85 -0.46 -1.58 115.31 117.42 1s13 h LEU 181 Ca 0.33 -0.36 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 1s13 h LEU 181 Cb 0.38 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1s13 h LEU 181 CO -0.29 0.99 0.14 0.22 -0.34 0.00 0.00 178.44 179.16 1s13 h TYR 182 N 0.65 1.11 -0.58 1.25 5.03 0.11 -0.25 116.97 124.29 1s13 h TYR 182 Ca 0.11 -0.14 -0.09 0.00 2.58 0.00 0.00 58.73 61.19 1s13 h TYR 182 Cb 0.62 -0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.57 1s13 h TYR 182 CO 0.05 0.93 0.01 0.00 -1.32 0.00 0.00 178.16 177.83 1s13 h ARG 183 N 0.97 1.00 -0.23 1.82 3.08 -0.37 -0.15 114.38 120.50 1s13 h ARG 183 Ca 0.20 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 59.96 1s13 h ARG 183 Cb 0.39 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1s13 h ARG 183 CO 0.01 0.97 0.13 1.03 -1.07 0.00 0.00 179.97 181.04 1s13 h SER 184 N 0.92 0.22 -0.69 7.04 0.87 -0.76 0.12 113.55 121.27 1s13 h SER 184 Ca 0.17 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 1s13 h SER 184 Cb 0.52 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 1s13 h SER 184 CO 0.03 0.16 0.30 0.03 -0.53 0.00 0.00 176.83 176.82 1s13 h ARG 185 N 0.28 1.01 -0.45 2.24 2.47 -0.81 -1.58 114.38 117.55 1s13 h ARG 185 Ca 0.09 -0.17 0.03 0.00 -1.26 0.00 0.00 59.98 58.67 1s13 h ARG 185 Cb -0.01 -0.17 -0.04 0.00 -1.65 0.00 0.00 29.97 28.10 1s13 h ARG 185 CO -0.04 0.82 0.24 0.52 0.56 0.00 0.00 179.97 182.07 1s13 h MET 186 N 0.97 0.47 0.00 0.04 2.86 -0.47 -1.85 114.93 116.95 1s13 h MET 186 Ca 0.23 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1s13 h MET 186 Cb 0.16 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1s13 h MET 186 CO -0.02 0.31 0.00 -0.91 1.06 0.00 0.00 176.91 177.34 1s13 h ASN 187 N 0.48 0.00 0.54 1.22 2.35 -0.37 -2.26 115.58 117.54 1s13 h ASN 187 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1s13 h ASN 187 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1s13 h ASN 187 CO -0.12 0.00 -0.29 -1.54 -1.65 0.00 0.00 177.43 173.83 1s13 n SER 188 N -2.40 0.47 -4.72 5.81 3.41 -0.63 -4.88 113.62 110.68 1s13 n SER 188 Ca 0.02 -0.25 -0.42 0.00 -0.26 0.00 0.00 58.87 57.96 1s13 n SER 188 Cb 0.24 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.19 1s13 n SER 188 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1s13 s LEU 189 N -2.83 4.37 -0.37 1.04 1.02 -0.85 -4.97 118.68 116.09 1s13 s LEU 189 Ca 0.17 2.64 -0.20 0.00 0.02 0.00 0.00 54.13 56.75 1s13 s LEU 189 Cb 0.19 -3.60 0.01 0.00 0.02 0.00 0.00 46.19 42.80 1s13 s LEU 189 CO 0.60 -0.80 0.62 -0.70 0.02 0.00 0.00 176.35 176.09 1s13 s GLU 190 N 0.75 3.59 -0.08 1.70 2.56 -1.26 -5.04 118.70 120.93 1s13 s GLU 190 Ca 0.67 -0.06 -0.11 0.00 0.00 0.00 0.00 54.97 55.47 1s13 s GLU 190 Cb -0.43 -3.84 0.02 0.00 2.00 0.00 0.00 34.13 31.88 1s13 s GLU 190 CO 0.34 -0.78 0.28 0.00 -0.56 0.00 0.00 175.26 174.55 1s13 s MET 191 N 2.69 0.43 0.98 4.30 0.23 -1.26 -4.96 119.30 121.70 1s13 s MET 191 Ca 0.23 0.19 -0.12 0.00 -1.03 0.00 0.00 55.69 54.96 1s13 s MET 191 Cb -0.15 0.20 0.18 0.00 -1.53 0.00 0.00 34.83 33.53 1s13 s MET 191 CO 0.15 -0.08 1.09 0.95 -2.03 0.00 0.00 175.02 175.11 1s13 s THR 192 N -0.33 2.20 0.19 3.16 -4.23 -1.26 -4.74 115.64 110.63 1s13 s THR 192 Ca -0.05 0.06 -0.13 0.00 -1.18 0.00 0.00 61.69 60.40 1s13 s THR 192 Cb -0.03 -2.55 0.10 0.00 1.34 0.00 0.00 72.50 71.35 1s13 s THR 192 CO 0.01 -0.08 1.85 -0.65 -0.54 0.00 0.00 174.62 175.21 1s13 h PRO 193 N -1.83 0.77 -0.36 3.99 0.11 -2.02 0.52 132.00 133.18 1s13 h PRO 193 Ca -0.53 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.55 1s13 h PRO 193 Cb 1.32 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1s13 h PRO 193 CO 0.57 0.51 0.18 0.00 -0.21 0.00 0.00 178.00 179.04 1s13 h ALA 194 N 1.23 0.44 -0.52 -0.75 0.00 -2.00 -0.56 119.26 117.10 1s13 h ALA 194 Ca 0.23 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 1s13 h ALA 194 Cb -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1s13 h ALA 194 CO -0.06 -0.19 0.17 0.28 0.00 0.00 0.00 179.25 179.45 1s13 h VAL 195 N 0.37 1.23 -0.89 0.00 2.07 -1.84 -1.91 116.25 115.27 1s13 h VAL 195 Ca 0.15 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1s13 h VAL 195 Cb 0.05 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1s13 h VAL 195 CO -0.10 0.28 0.55 -0.09 0.02 0.00 0.00 177.57 178.23 1s13 h ARG 196 N 0.71 1.21 -0.31 1.57 2.43 -0.44 -0.08 114.38 119.48 1s13 h ARG 196 Ca 0.17 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1s13 h ARG 196 Cb 0.26 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1s13 h ARG 196 CO -0.01 0.84 0.08 1.96 -1.51 0.00 0.00 179.97 181.33 1s13 h GLN 197 N 1.23 0.49 -0.41 0.20 4.20 -0.88 -2.02 115.11 117.93 1s13 h GLN 197 Ca 0.32 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 1s13 h GLN 197 Cb -0.07 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1s13 h GLN 197 CO -0.06 0.55 0.12 0.00 -0.67 0.00 0.00 178.83 178.77 1s13 h ARG 198 N 0.34 0.59 -0.53 1.46 3.08 -0.84 0.54 114.38 119.01 1s13 h ARG 198 Ca 0.10 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1s13 h ARG 198 Cb 0.28 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1s13 h ARG 198 CO -0.00 0.53 0.26 0.28 -1.07 0.00 0.00 179.97 179.97 1s13 h VAL 199 N 0.58 1.19 -0.44 2.04 2.07 -0.72 0.31 116.25 121.29 1s13 h VAL 199 Ca 0.14 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 1s13 h VAL 199 Cb 0.19 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1s13 h VAL 199 CO -0.01 0.22 0.06 0.40 0.02 0.00 0.00 177.57 178.26 1s13 h ILE 200 N 0.71 1.25 -0.76 4.57 2.04 -0.63 -1.90 117.51 122.79 1s13 h ILE 200 Ca 0.18 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 65.09 1s13 h ILE 200 Cb 0.10 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1s13 h ILE 200 CO -0.02 0.32 0.35 -0.33 0.00 0.00 0.00 178.15 178.46 1s13 h GLU 201 N 0.60 1.11 -0.04 2.37 4.39 -0.57 -2.38 114.58 120.05 1s13 h GLU 201 Ca 0.13 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1s13 h GLU 201 Cb 0.40 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1s13 h GLU 201 CO 0.01 0.88 -0.11 1.49 -1.16 0.00 0.00 179.01 180.12 1s13 h GLU 202 N 1.08 0.07 -0.24 2.33 4.57 -0.09 0.47 114.58 122.76 1s13 h GLU 202 Ca 0.26 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.30 1s13 h GLU 202 Cb 0.15 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1s13 h GLU 202 CO -0.03 0.18 -0.37 0.00 -1.18 0.00 0.00 179.01 177.61 1s13 h ALA 203 N 1.83 0.90 -0.39 2.92 0.00 -0.85 0.26 119.26 123.94 1s13 h ALA 203 Ca 0.01 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1s13 h ALA 203 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1s13 h ALA 203 CO 0.02 0.63 -0.08 0.87 0.00 0.00 0.00 179.25 180.69 1s13 h LYS 204 N 0.46 0.73 -0.65 0.00 1.57 -0.67 -2.19 116.57 115.82 1s13 h LYS 204 Ca 0.05 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 1s13 h LYS 204 Cb 0.86 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.09 1s13 h LYS 204 CO 0.07 0.87 0.38 1.15 -0.57 0.00 0.00 179.45 181.35 1s13 h THR 205 N 0.54 1.19 -0.65 -0.16 2.02 -0.70 -0.78 112.91 114.36 1s13 h THR 205 Ca 0.10 -0.45 0.05 0.00 0.77 0.00 0.00 66.41 66.88 1s13 h THR 205 Cb 0.59 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.26 1s13 h THR 205 CO 0.03 0.20 0.37 0.00 0.37 0.00 0.00 175.52 176.50 1s13 h ALA 206 N 1.19 0.87 -0.23 6.16 0.00 -0.71 0.35 119.26 126.90 1s13 h ALA 206 Ca 0.23 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1s13 h ALA 206 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1s13 h ALA 206 CO -0.04 0.07 0.15 0.74 0.00 0.00 0.00 179.25 180.17 1s13 h PHE 207 N 0.70 0.29 -0.90 0.00 -1.00 -0.77 -2.26 116.94 113.00 1s13 h PHE 207 Ca 0.29 0.01 0.05 0.00 2.81 0.00 0.00 57.97 61.13 1s13 h PHE 207 Cb 0.14 -0.10 -0.06 0.00 3.61 0.00 0.00 35.95 39.55 1s13 h PHE 207 CO -0.07 0.18 0.59 -0.07 -1.61 0.00 0.00 178.31 177.33 1s13 h LEU 208 N 0.31 0.93 -1.22 1.54 3.38 -0.05 0.87 115.31 121.06 1s13 h LEU 208 Ca 0.08 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1s13 h LEU 208 Cb -0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1s13 h LEU 208 CO -0.02 0.61 0.18 -0.07 0.09 0.00 0.00 178.44 179.24 1s13 h LEU 209 N 1.06 0.66 -0.19 1.67 3.38 -0.53 -0.98 115.31 120.39 1s13 h LEU 209 Ca 0.38 -0.08 -0.22 0.00 0.09 0.00 0.00 57.88 58.04 1s13 h LEU 209 Cb 0.13 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.72 1s13 h LEU 209 CO -0.13 0.61 -0.84 0.78 0.09 0.00 0.00 178.44 178.95 1s13 h ASN 210 N 0.71 0.78 -0.11 -0.43 2.35 -0.61 -2.34 115.58 115.94 1s13 h ASN 210 Ca 0.17 -0.54 -0.01 0.00 -0.55 0.00 0.00 56.30 55.37 1s13 h ASN 210 Cb 0.17 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1s13 h ASN 210 CO -0.01 1.33 0.04 0.40 -1.65 0.00 0.00 177.43 177.54 1s13 h ILE 211 N 0.41 1.15 0.00 2.81 2.04 -0.28 -1.33 117.51 122.31 1s13 h ILE 211 Ca -0.06 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 1s13 h ILE 211 Cb 1.46 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 1s13 h ILE 211 CO 0.16 0.13 -0.20 0.06 0.00 0.00 0.00 178.15 178.31 1s13 h GLN 212 N 0.01 0.00 -0.31 2.37 3.07 -1.26 -0.90 115.11 118.09 1s13 h GLN 212 Ca 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.71 1s13 h GLN 212 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 1s13 h GLN 212 CO -0.00 0.20 -0.08 1.25 0.09 0.00 0.00 178.83 180.29 1s13 h LEU 213 N 0.00 0.60 -0.86 0.06 5.85 -1.09 -1.16 115.31 118.72 1s13 h LEU 213 Ca -0.00 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.30 1s13 h LEU 213 Cb 0.65 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1s13 h LEU 213 CO 0.03 0.83 0.24 -0.26 -0.34 0.00 0.00 178.44 178.94 1s13 h PHE 214 N 0.37 1.12 -0.30 1.25 0.04 -0.73 -0.41 116.94 118.28 1s13 h PHE 214 Ca 0.08 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 1s13 h PHE 214 Cb 0.57 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 1s13 h PHE 214 CO 0.05 0.87 0.15 0.93 -0.60 0.00 0.00 178.31 179.72 1s13 h GLU 215 N 1.05 0.43 -0.61 1.51 5.08 -1.01 -1.59 114.58 119.44 1s13 h GLU 215 Ca 0.24 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1s13 h GLU 215 Cb 0.26 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1s13 h GLU 215 CO -0.01 0.39 0.20 1.49 -1.00 0.00 0.00 179.01 180.08 1s13 h GLU 216 N 0.36 0.92 0.00 2.33 4.81 -0.85 -1.76 114.58 120.39 1s13 h GLU 216 Ca 0.10 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1s13 h GLU 216 Cb 0.10 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 1s13 h GLU 216 CO -0.01 0.78 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.88 1s13 h LEU 217 N 0.89 0.00 0.13 1.64 3.38 -0.77 -2.38 115.31 118.21 1s13 h LEU 217 Ca 0.20 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.89 1s13 h LEU 217 Cb 0.24 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.02 1s13 h LEU 217 CO -0.01 0.10 -1.17 -0.61 0.09 0.00 0.00 178.44 176.84 1s13 h GLN 218 N 0.00 0.56 0.00 1.13 5.75 -0.43 -2.38 115.11 119.74 1s13 h GLN 218 Ca -0.00 -0.78 -0.08 0.00 -0.15 0.00 0.00 58.65 57.64 1s13 h GLN 218 Cb 0.56 0.26 -0.01 0.00 1.07 0.00 0.00 27.48 29.36 1s13 h GLN 218 CO 0.01 1.35 -0.39 0.93 -2.65 0.00 0.00 178.83 178.09 1s13 h GLU 219 N 0.14 0.00 0.25 1.69 5.08 -1.28 -2.94 114.58 117.52 1s13 h GLU 219 Ca -0.18 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1s13 h GLU 219 Cb 1.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.12 1s13 h GLU 219 CO 0.22 0.39 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.43 1s13 h LEU 220 N 0.00 -0.29 -2.01 1.33 3.38 -1.45 -3.16 115.31 113.12 1s13 h LEU 220 Ca -0.00 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.75 1s13 h LEU 220 Cb 0.83 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1s13 h LEU 220 CO 0.05 0.20 0.34 -0.07 0.09 0.00 0.00 178.44 179.06 1s13 h LEU 221 N -0.91 0.00 -7.95 1.67 3.38 -1.41 -3.35 115.31 106.75 1s13 h LEU 221 Ca -0.03 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.25 1s13 h LEU 221 Cb 0.50 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.91 1s13 h LEU 221 CO 0.06 0.00 -0.68 0.42 0.09 0.00 0.00 178.44 178.33 1s13 s THR 222 N -4.19 2.93 0.00 0.22 -4.23 -1.11 -5.11 115.64 104.15 1s13 s THR 222 Ca -0.04 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 1s13 s THR 222 Cb 0.10 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1s13 s THR 222 CO 0.32 -0.27 0.00 1.41 -0.54 0.00 0.00 174.62 175.54