#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xx5 s ARG 11 N 0.00 4.16 0.65 5.56 1.70 -1.26 -4.97 118.95 124.80 1xx5 s ARG 11 Ca 0.00 0.71 0.43 0.00 -0.47 0.00 0.00 55.73 56.39 1xx5 s ARG 11 Cb 0.00 -3.12 2.26 0.00 -0.57 0.00 0.00 34.95 33.52 1xx5 s ARG 11 CO 0.00 0.57 2.31 0.87 -1.08 0.00 0.00 175.30 177.97 1xx5 h LYS 12 N 4.15 0.00 -0.21 3.89 6.56 -2.05 -2.25 116.57 126.67 1xx5 h LYS 12 Ca -0.49 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 58.90 1xx5 h LYS 12 Cb 1.21 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 1xx5 h LYS 12 CO 0.64 0.00 -0.65 -0.22 -2.06 0.00 0.00 179.45 177.16 1xx5 h LYS 13 N 0.00 0.76 -0.00 3.15 3.64 -1.98 0.14 116.57 122.28 1xx5 h LYS 13 Ca -0.00 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1xx5 h LYS 13 Cb 0.08 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1xx5 h LYS 13 CO 0.00 1.16 -0.12 1.63 -2.27 0.00 0.00 179.45 179.86 1xx5 n LYS 14 N -3.96 0.01 -0.01 1.90 5.02 -0.87 -2.04 118.16 118.21 1xx5 n LYS 14 Ca -0.05 -0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.02 1xx5 n LYS 14 Cb 0.68 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 34.05 1xx5 n LYS 14 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1xx5 n GLN 15 N -1.49 0.74 0.03 1.97 6.02 -1.04 -3.46 117.38 120.15 1xx5 n GLN 15 Ca 0.07 0.27 -0.05 0.00 -0.01 0.00 0.00 57.00 57.28 1xx5 n GLN 15 Cb 0.34 -1.69 0.17 0.00 1.02 0.00 0.00 30.24 30.07 1xx5 n GLN 15 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1xx5 h LYS 16 N -0.01 0.43 -0.02 -1.09 1.63 -0.72 -1.82 116.57 114.97 1xx5 h LYS 16 Ca -0.44 -0.20 -0.00 0.00 -0.85 0.00 0.00 60.65 59.16 1xx5 h LYS 16 Cb 1.98 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 33.60 1xx5 h LYS 16 CO 0.05 0.74 0.01 1.49 -3.45 0.00 0.00 179.45 178.29 1xx5 h GLU 17 N 0.37 0.03 -0.08 1.90 4.81 -1.57 0.12 114.58 120.16 1xx5 h GLU 17 Ca 0.04 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1xx5 h GLU 17 Cb 0.82 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 1xx5 h GLU 17 CO 0.07 0.19 -0.05 0.82 -0.73 0.00 0.00 179.01 179.31 1xx5 h ILE 18 N -0.14 0.85 -0.10 2.32 2.04 -1.56 -1.91 117.51 119.01 1xx5 h ILE 18 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1xx5 h ILE 18 Cb 0.18 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1xx5 h ILE 18 CO -0.00 0.00 0.03 0.58 0.00 0.00 0.00 178.15 178.76 1xx5 h VAL 19 N -0.05 1.17 -0.02 1.67 2.07 -1.27 -2.26 116.25 117.57 1xx5 h VAL 19 Ca 0.05 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.06 1xx5 h VAL 19 Cb 0.12 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1xx5 h VAL 19 CO -0.11 0.15 -0.10 0.44 0.02 0.00 0.00 177.57 177.98 1xx5 h ASP 20 N -0.03 -0.28 -0.73 0.57 3.32 -0.70 -1.94 116.42 116.63 1xx5 h ASP 20 Ca 0.03 0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.16 1xx5 h ASP 20 Cb 0.22 0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 1xx5 h ASP 20 CO -0.00 -0.14 0.45 0.25 -1.72 0.00 0.00 179.24 178.08 1xx5 h LEU 21 N -0.16 0.73 -0.89 1.55 5.85 -1.37 0.31 115.31 121.33 1xx5 h LEU 21 Ca 0.04 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.82 1xx5 h LEU 21 Cb 0.21 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 1xx5 h LEU 21 CO -0.11 0.50 0.56 0.45 -0.34 0.00 0.00 178.44 179.50 1xx5 h HIS 22 N 0.87 1.04 0.00 1.25 3.86 -1.03 0.55 115.15 121.68 1xx5 h HIS 22 Ca 0.30 0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.40 1xx5 h HIS 22 Cb 0.06 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.17 1xx5 h HIS 22 CO -0.04 0.54 -0.64 -0.91 0.86 0.00 0.00 177.93 177.74 1xx5 h ASN 23 N 1.03 0.00 -0.39 2.45 -0.26 -0.58 -1.01 115.58 116.83 1xx5 h ASN 23 Ca 0.38 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 56.09 1xx5 h ASN 23 Cb 0.14 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.38 1xx5 h ASN 23 CO -0.16 0.64 0.11 -1.28 -1.06 0.00 0.00 177.43 175.67 1xx5 h SER 24 N 0.00 0.57 -0.11 5.81 0.87 0.10 -2.03 113.55 118.77 1xx5 h SER 24 Ca -0.01 -0.21 -0.16 0.00 -1.23 0.00 0.00 61.79 60.18 1xx5 h SER 24 Cb 1.26 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1xx5 h SER 24 CO 0.08 0.63 -0.52 -0.07 -0.53 0.00 0.00 176.83 176.43 1xx5 h LEU 25 N 0.48 0.75 -0.10 2.23 3.38 -0.86 -3.28 115.31 117.91 1xx5 h LEU 25 Ca 0.12 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1xx5 h LEU 25 Cb 0.27 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1xx5 h LEU 25 CO -0.00 1.13 0.06 0.03 0.09 0.00 0.00 178.44 179.75 1xx5 h ARG 26 N 0.53 0.14 -0.01 1.13 3.08 -0.93 -2.93 114.38 115.39 1xx5 h ARG 26 Ca 0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1xx5 h ARG 26 Cb 1.08 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1xx5 h ARG 26 CO 0.11 0.11 0.00 2.89 -1.07 0.00 0.00 179.97 182.00 1xx5 n ARG 27 N -5.01 1.02 -0.36 0.04 1.85 -0.79 -3.19 116.66 110.23 1xx5 n ARG 27 Ca -0.05 -0.03 0.07 0.00 -1.00 0.00 0.00 57.85 56.84 1xx5 n ARG 27 Cb 0.04 -1.15 0.15 0.00 -1.05 0.00 0.00 32.46 30.44 1xx5 n ARG 27 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1xx5 n ARG 28 N -0.62 1.21 -1.85 2.89 1.74 -1.11 -5.03 116.66 113.90 1xx5 n ARG 28 Ca 0.07 -2.67 -0.33 0.00 -0.77 0.00 0.00 57.85 54.15 1xx5 n ARG 28 Cb 0.04 -1.38 0.03 0.00 -1.02 0.00 0.00 32.46 30.13 1xx5 n ARG 28 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1xx5 s VAL 29 N -2.61 3.48 -0.04 1.55 -7.23 -1.19 -5.05 120.40 109.30 1xx5 s VAL 29 Ca 0.32 0.68 -0.02 0.00 -1.81 0.00 0.00 61.98 61.15 1xx5 s VAL 29 Cb 0.29 -3.21 0.03 0.00 0.56 0.00 0.00 36.38 34.05 1xx5 s VAL 29 CO -0.02 -0.43 0.07 -0.55 -0.31 0.00 0.00 175.10 173.87 1xx5 s SER 30 N -2.70 1.04 1.07 4.85 0.15 -1.26 -3.62 113.70 113.22 1xx5 s SER 30 Ca 0.65 0.11 -0.12 0.00 0.70 0.00 0.00 55.95 57.30 1xx5 s SER 30 Cb -0.19 -0.08 0.23 0.00 -1.71 0.00 0.00 66.02 64.27 1xx5 s SER 30 CO 0.40 -0.24 1.07 -2.16 1.20 0.00 0.00 173.24 173.51 1xx5 s PRO 31 N 2.14 -0.19 0.39 5.44 0.04 -1.26 -4.88 135.00 136.67 1xx5 s PRO 31 Ca 0.04 1.02 -0.25 0.00 0.04 0.00 0.00 61.00 61.85 1xx5 s PRO 31 Cb -0.12 -1.63 -0.09 0.00 0.04 0.00 0.00 34.50 32.71 1xx5 s PRO 31 CO -0.03 -3.28 1.09 0.95 0.04 0.00 0.00 177.00 175.77 1xx5 s THR 32 N -2.57 3.51 -0.02 1.26 -4.23 -1.24 -4.99 115.64 107.36 1xx5 s THR 32 Ca 0.67 1.23 -0.03 0.00 -1.18 0.00 0.00 61.69 62.39 1xx5 s THR 32 Cb -0.24 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 1xx5 s THR 32 CO 0.62 0.08 0.16 0.00 -0.54 0.00 0.00 174.62 174.94 1xx5 s ALA 33 N -1.52 3.89 -1.58 3.99 0.00 -1.25 -1.91 121.76 123.39 1xx5 s ALA 33 Ca 0.56 -0.77 0.13 0.00 0.00 0.00 0.00 51.96 51.88 1xx5 s ALA 33 Cb -0.26 -1.85 0.10 0.00 0.00 0.00 0.00 23.12 21.11 1xx5 s ALA 33 CO 0.33 0.72 0.90 -1.13 0.00 0.00 0.00 175.76 176.58 1xx5 n SER 34 N 1.11 2.04 -1.48 0.00 3.41 0.18 -3.50 113.62 115.37 1xx5 n SER 34 Ca -0.12 -1.52 0.03 0.00 -0.26 0.00 0.00 58.87 57.00 1xx5 n SER 34 Cb 0.53 0.02 0.02 0.00 -0.26 0.00 0.00 64.21 64.51 1xx5 n SER 34 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1xx5 n ASN 35 N 0.68 0.91 -4.64 4.04 6.94 -1.26 -0.41 115.26 121.52 1xx5 n ASN 35 Ca 0.07 -2.00 -0.43 0.00 -0.02 0.00 0.00 54.58 52.20 1xx5 n ASN 35 Cb 0.32 -0.27 -0.02 0.00 -2.36 0.00 0.00 39.78 37.44 1xx5 n ASN 35 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 1xx5 s MET 36 N 0.00 4.08 0.40 -3.83 1.75 -1.26 -4.69 119.30 115.74 1xx5 s MET 36 Ca 0.32 1.34 -0.20 0.00 -1.25 0.00 0.00 55.69 55.91 1xx5 s MET 36 Cb 0.37 -3.79 -0.10 0.00 2.84 0.00 0.00 34.83 34.15 1xx5 s MET 36 CO -0.16 -0.90 0.89 -0.51 -0.65 0.00 0.00 175.02 173.69 1xx5 s LEU 37 N 3.83 3.99 0.05 4.11 1.43 -1.08 0.11 118.68 131.12 1xx5 s LEU 37 Ca 0.52 1.58 -0.30 0.00 -1.03 0.00 0.00 54.13 54.90 1xx5 s LEU 37 Cb -0.17 -4.39 -0.05 0.00 0.03 0.00 0.00 46.19 41.61 1xx5 s LEU 37 CO 0.17 -0.31 1.08 -0.75 0.23 0.00 0.00 176.35 176.77 1xx5 s LYS 38 N -3.08 4.52 0.27 1.70 2.20 0.11 -4.68 119.74 120.77 1xx5 s LYS 38 Ca 0.59 1.59 -0.14 0.00 -0.36 0.00 0.00 55.97 57.65 1xx5 s LYS 38 Cb -0.10 -3.39 -0.08 0.00 -1.51 0.00 0.00 37.83 32.75 1xx5 s LYS 38 CO 0.15 -0.11 0.67 1.41 -0.36 0.00 0.00 175.35 177.11 1xx5 s MET 39 N 0.87 3.99 0.13 4.03 -2.45 -1.26 -4.73 119.30 119.88 1xx5 s MET 39 Ca 0.54 0.59 0.01 0.00 -1.25 0.00 0.00 55.69 55.58 1xx5 s MET 39 Cb -0.25 -2.59 -0.04 0.00 1.25 0.00 0.00 34.83 33.19 1xx5 s MET 39 CO 0.29 0.26 -0.01 -1.83 1.05 0.00 0.00 175.02 174.78 1xx5 s GLU 40 N -2.70 0.94 0.36 4.11 -1.05 0.25 -4.95 118.70 115.67 1xx5 s GLU 40 Ca 0.49 -1.43 -0.27 0.00 -0.15 0.00 0.00 54.97 53.62 1xx5 s GLU 40 Cb -0.12 -0.08 -0.09 0.00 -0.44 0.00 0.00 34.13 33.40 1xx5 s GLU 40 CO 0.19 -0.13 1.16 -0.46 0.95 0.00 0.00 175.26 176.98 1xx5 s TRP 41 N -3.76 3.20 -0.33 4.83 -0.11 -1.26 -1.41 118.94 120.10 1xx5 s TRP 41 Ca 0.19 1.57 0.03 0.00 1.22 0.00 0.00 56.10 59.11 1xx5 s TRP 41 Cb 0.06 -3.39 0.10 0.00 -1.50 0.00 0.00 33.47 28.74 1xx5 s TRP 41 CO -0.00 -1.17 0.05 -0.47 -4.62 0.00 0.00 176.95 170.74 1xx5 s TYR 42 N -1.33 3.16 0.28 5.86 5.04 0.20 -4.72 117.35 125.85 1xx5 s TYR 42 Ca 0.53 -2.61 -0.04 0.00 -2.44 0.00 0.00 57.07 52.51 1xx5 s TYR 42 Cb -0.32 -2.53 0.56 0.00 0.35 0.00 0.00 41.96 40.02 1xx5 s TYR 42 CO 0.40 -0.92 1.58 -1.35 -1.34 0.00 0.00 175.55 173.92 1xx5 h PRO 43 N 7.75 0.02 -0.63 4.97 0.11 -1.96 -0.54 132.00 141.72 1xx5 h PRO 43 Ca -0.07 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.95 1xx5 h PRO 43 Cb 1.02 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1xx5 h PRO 43 CO 0.50 0.01 0.06 0.93 -0.21 0.00 0.00 178.00 179.30 1xx5 h GLU 44 N 0.02 1.08 -0.57 1.05 3.07 -1.96 -2.07 114.58 115.20 1xx5 h GLU 44 Ca 0.50 -0.31 -0.08 0.00 -0.50 0.00 0.00 59.36 58.97 1xx5 h GLU 44 Cb 0.92 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 1xx5 h GLU 44 CO -0.90 1.02 0.03 0.00 -1.40 0.00 0.00 179.01 177.76 1xx5 h ALA 45 N 1.02 0.97 -0.18 3.43 0.00 -1.48 0.29 119.26 123.30 1xx5 h ALA 45 Ca 0.19 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1xx5 h ALA 45 Cb 0.49 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1xx5 h ALA 45 CO 0.02 0.63 0.10 0.00 0.00 0.00 0.00 179.25 180.00 1xx5 h ALA 46 N 1.12 0.22 -0.10 0.00 0.00 -1.11 1.10 119.26 120.49 1xx5 h ALA 46 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xx5 h ALA 46 Cb 0.49 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xx5 h ALA 46 CO 0.02 -0.32 0.06 0.77 0.00 0.00 0.00 179.25 179.78 1xx5 h SER 47 N 0.21 0.13 -0.62 0.00 0.02 -1.01 0.30 113.55 112.58 1xx5 h SER 47 Ca 0.07 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1xx5 h SER 47 Cb 0.00 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1xx5 h SER 47 CO -0.04 0.15 0.35 -1.13 -1.14 0.00 0.00 176.83 175.02 1xx5 h ASN 48 N 0.09 0.76 -0.52 3.07 -0.73 0.05 0.63 115.58 118.93 1xx5 h ASN 48 Ca 0.04 -0.08 -0.10 0.00 1.87 0.00 0.00 56.30 58.03 1xx5 h ASN 48 Cb 0.04 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.42 1xx5 h ASN 48 CO -0.01 0.62 -0.05 0.00 -0.37 0.00 0.00 177.43 177.63 1xx5 h ALA 49 N 1.17 0.87 -0.61 1.57 0.00 0.15 -2.34 119.26 120.07 1xx5 h ALA 49 Ca 0.22 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1xx5 h ALA 49 Cb 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1xx5 h ALA 49 CO -0.04 0.65 0.40 1.49 0.00 0.00 0.00 179.25 181.76 1xx5 h GLU 50 N 0.90 0.80 -0.48 0.00 4.81 0.23 -0.86 114.58 119.98 1xx5 h GLU 50 Ca 0.15 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 1xx5 h GLU 50 Cb 0.59 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1xx5 h GLU 50 CO 0.04 0.53 0.05 0.00 -0.73 0.00 0.00 179.01 178.90 1xx5 h ARG 51 N 0.83 0.76 -0.19 1.92 -0.00 -0.66 -2.72 114.38 114.32 1xx5 h ARG 51 Ca 0.23 -0.18 -0.19 0.00 -0.50 0.00 0.00 59.98 59.33 1xx5 h ARG 51 Cb -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 29.97 29.78 1xx5 h ARG 51 CO -0.05 0.74 -0.66 2.35 0.00 0.00 0.00 179.97 182.35 1xx5 h TRP 52 N 0.72 0.94 -0.71 3.04 -0.00 -0.90 -3.24 115.95 115.80 1xx5 h TRP 52 Ca 0.15 -0.37 -0.02 0.00 -0.00 0.00 0.00 58.89 58.64 1xx5 h TRP 52 Cb 0.37 -0.16 -0.03 0.00 -0.00 0.00 0.00 29.16 29.34 1xx5 h TRP 52 CO 0.02 1.18 0.35 0.00 -0.00 0.00 0.00 178.44 179.99 1xx5 h ALA 53 N 0.73 0.92 0.00 2.65 0.00 -1.03 -1.91 119.26 120.61 1xx5 h ALA 53 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1xx5 h ALA 53 Cb 1.26 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1xx5 h ALA 53 CO 0.13 0.47 0.29 -0.91 0.00 0.00 0.00 179.25 179.23 1xx5 h ASN 54 N 0.99 0.00 0.80 0.00 -0.26 -1.51 0.19 115.58 115.79 1xx5 h ASN 54 Ca 0.25 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.90 1xx5 h ASN 54 Cb 0.10 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 1xx5 h ASN 54 CO -0.03 0.00 -0.39 0.74 -1.06 0.00 0.00 177.43 176.68 1xx5 h THR 55 N 0.00 0.94 -1.86 2.81 2.02 -1.44 -3.46 112.91 111.92 1xx5 h THR 55 Ca 0.00 -1.55 -0.37 0.00 0.77 0.00 0.00 66.41 65.26 1xx5 h THR 55 Cb 0.59 1.93 -0.10 0.00 -1.74 0.00 0.00 68.15 68.83 1xx5 h THR 55 CO 0.00 0.39 -0.38 0.00 0.37 0.00 0.00 175.52 175.90 1xx5 h SER 57 N 0.00 0.00 -3.09 0.00 4.64 -1.82 -3.47 113.55 109.81 1xx5 h SER 57 Ca -0.39 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.60 1xx5 h SER 57 Cb 1.22 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.33 1xx5 h SER 57 CO 0.53 0.09 -0.46 0.18 -0.87 0.00 0.00 176.83 176.30 1xx5 n LEU 58 N -3.67 -2.15 0.00 5.97 4.77 -1.26 -4.97 117.00 115.68 1xx5 n LEU 58 Ca -0.02 -0.13 -0.08 0.00 -0.03 0.00 0.00 56.01 55.74 1xx5 n LEU 58 Cb 0.20 -2.47 0.03 0.00 -2.33 0.00 0.00 43.42 38.85 1xx5 n LEU 58 CO 0.29 0.03 0.49 -0.46 -1.33 0.00 0.00 177.39 176.41 1xx5 n ASN 59 N -1.45 -2.14 -4.78 -1.43 2.04 -1.26 -5.05 115.26 101.19 1xx5 n ASN 59 Ca -0.14 -2.49 -0.37 0.00 -0.44 0.00 0.00 54.58 51.14 1xx5 n ASN 59 Cb 0.62 3.57 -0.02 0.00 -2.53 0.00 0.00 39.78 41.42 1xx5 n ASN 59 CO 0.00 0.00 0.00 -1.00 -0.44 0.00 0.00 177.26 175.82 1xx5 s HIS 60 N -2.62 3.06 0.30 -2.53 3.76 -1.26 -5.04 115.29 110.96 1xx5 s HIS 60 Ca 0.15 1.59 -0.10 0.00 -0.15 0.00 0.00 55.06 56.54 1xx5 s HIS 60 Cb -0.05 -3.25 -0.07 0.00 1.11 0.00 0.00 32.58 30.32 1xx5 s HIS 60 CO 0.11 -1.07 0.65 -1.54 -0.85 0.00 0.00 174.74 172.04 1xx5 s SER 61 N -1.47 6.61 0.84 1.40 1.04 -1.26 -5.05 113.70 115.81 1xx5 s SER 61 Ca 0.61 1.03 -0.12 0.00 0.48 0.00 0.00 55.95 57.94 1xx5 s SER 61 Cb -0.25 -2.27 0.09 0.00 0.10 0.00 0.00 66.02 63.69 1xx5 s SER 61 CO 0.31 -0.20 1.12 -2.65 0.98 0.00 0.00 173.24 172.79 1xx5 n PRO 62 N -0.59 -0.02 -0.20 4.02 -0.02 -1.26 -4.92 135.00 132.01 1xx5 n PRO 62 Ca 0.01 0.07 -0.07 0.00 -2.02 0.00 0.00 63.50 61.49 1xx5 n PRO 62 Cb 0.53 -2.37 0.03 0.00 -0.02 0.00 0.00 33.50 31.67 1xx5 n PRO 62 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1xx5 h ASP 63 N -1.19 0.74 0.00 2.55 3.32 -1.96 -2.82 116.42 117.06 1xx5 h ASP 63 Ca -0.45 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.48 1xx5 h ASP 63 Cb 1.29 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1xx5 h ASP 63 CO 0.44 0.65 0.04 -0.46 -1.72 0.00 0.00 179.24 178.19 1xx5 n ASN 64 N -4.56 0.03 -0.09 6.45 0.23 -1.26 -0.67 115.26 115.39 1xx5 n ASN 64 Ca 0.03 0.47 0.11 0.00 -0.53 0.00 0.00 54.58 54.67 1xx5 n ASN 64 Cb 0.11 -0.48 0.12 0.00 -2.08 0.00 0.00 39.78 37.46 1xx5 n ASN 64 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1xx5 n LEU 65 N -1.50 0.89 -1.43 -4.53 7.99 -1.06 -4.23 117.00 113.13 1xx5 n LEU 65 Ca -0.00 -0.28 -0.10 0.00 -0.01 0.00 0.00 56.01 55.62 1xx5 n LEU 65 Cb 0.04 -0.12 0.17 0.00 -0.11 0.00 0.00 43.42 43.40 1xx5 n LEU 65 CO 0.00 0.20 0.74 0.54 -1.51 0.00 0.00 177.39 177.37 1xx5 n ARG 66 N -1.23 2.10 -3.46 3.23 1.74 0.15 -4.94 116.66 114.26 1xx5 n ARG 66 Ca 0.06 -3.29 -0.43 0.00 -0.77 0.00 0.00 57.85 53.42 1xx5 n ARG 66 Cb 0.35 -1.93 -0.09 0.00 -1.02 0.00 0.00 32.46 29.77 1xx5 n ARG 66 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xx5 s VAL 67 N -3.51 5.03 -0.17 1.55 1.01 -1.25 -0.47 120.40 122.58 1xx5 s VAL 67 Ca 0.48 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 1xx5 s VAL 67 Cb 0.42 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1xx5 s VAL 67 CO 0.01 -0.46 -0.05 -0.76 0.00 0.00 0.00 175.10 173.84 1xx5 s LEU 68 N 1.61 3.08 -1.44 3.92 1.43 0.31 -4.60 118.68 123.00 1xx5 s LEU 68 Ca 0.04 -0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 52.88 1xx5 s LEU 68 Cb -0.22 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.26 1xx5 s LEU 68 CO 0.07 0.10 0.46 -0.62 0.23 0.00 0.00 176.35 176.59 1xx5 n GLU 69 N 3.96 -3.31 -0.84 1.70 1.02 -1.26 -0.59 120.64 121.32 1xx5 n GLU 69 Ca -0.18 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1xx5 n GLU 69 Cb 0.52 -4.59 0.00 0.00 -0.02 0.00 0.00 31.44 27.35 1xx5 n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xx5 n GLY 70 N -1.93 0.45 3.57 0.62 0.00 -1.26 -4.99 105.19 101.65 1xx5 n GLY 70 Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 1xx5 n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xx5 s ILE 71 N -2.28 3.94 -0.01 -0.61 -1.09 0.25 -5.09 121.20 116.30 1xx5 s ILE 71 Ca 0.00 -0.37 -0.30 0.00 -2.23 0.00 0.00 60.65 57.75 1xx5 s ILE 71 Cb 0.00 -2.67 -0.03 0.00 -1.58 0.00 0.00 42.46 38.18 1xx5 s ILE 71 CO 0.00 0.56 1.01 -1.58 -1.23 0.00 0.00 174.94 173.69 1xx5 s GLN 72 N -0.33 4.52 0.15 2.79 2.00 -1.26 -0.53 119.66 127.00 1xx5 s GLN 72 Ca 0.06 1.45 0.08 0.00 -2.00 0.00 0.00 55.36 54.94 1xx5 s GLN 72 Cb -0.12 -3.47 -0.04 0.00 0.80 0.00 0.00 33.01 30.18 1xx5 s GLN 72 CO 0.02 -0.12 -0.06 0.00 -0.50 0.00 0.00 175.29 174.63 1xx5 s GLY 74 N -2.62 1.83 -0.06 0.00 0.00 0.18 -4.68 107.32 101.96 1xx5 s GLY 74 Ca 0.25 -1.51 -0.17 0.00 0.00 0.00 0.00 44.72 43.28 1xx5 s GLY 74 CO 0.16 -1.18 0.40 1.85 0.00 0.00 0.00 173.10 174.33 1xx5 s GLU 75 N -4.76 0.68 -0.01 2.90 2.12 -1.26 -0.50 118.70 117.88 1xx5 s GLU 75 Ca 0.59 0.09 0.02 0.00 0.36 0.00 0.00 54.97 56.03 1xx5 s GLU 75 Cb -0.09 0.31 -0.00 0.00 0.26 0.00 0.00 34.13 34.61 1xx5 s GLU 75 CO 0.39 -0.17 -0.07 -1.12 -0.54 0.00 0.00 175.26 173.74 1xx5 s SER 76 N -0.88 0.83 0.23 -1.70 0.01 -0.30 -5.01 113.70 106.89 1xx5 s SER 76 Ca -0.09 -0.13 0.04 0.00 1.31 0.00 0.00 55.95 57.08 1xx5 s SER 76 Cb -0.04 -0.10 -0.05 0.00 0.21 0.00 0.00 66.02 66.04 1xx5 s SER 76 CO 0.04 0.08 -0.03 0.27 0.41 0.00 0.00 173.24 174.01 1xx5 s ILE 77 N -0.13 1.21 -0.20 1.44 -4.36 -1.26 -1.48 121.20 116.41 1xx5 s ILE 77 Ca 0.02 -2.06 -0.21 0.00 -0.26 0.00 0.00 60.65 58.14 1xx5 s ILE 77 Cb -0.03 -2.29 0.06 0.00 1.25 0.00 0.00 42.46 41.45 1xx5 s ILE 77 CO -0.00 -0.39 0.58 -0.47 0.24 0.00 0.00 174.94 174.90 1xx5 s TYR 78 N -3.30 -0.63 -0.00 1.37 5.04 -0.80 -5.00 117.35 114.03 1xx5 s TYR 78 Ca 0.27 1.50 0.07 0.00 -2.44 0.00 0.00 57.07 56.47 1xx5 s TYR 78 Cb 0.05 0.22 -0.02 0.00 0.35 0.00 0.00 41.96 42.56 1xx5 s TYR 78 CO 0.08 -0.33 -0.23 -1.64 -1.34 0.00 0.00 175.55 172.10 1xx5 s MET 79 N 0.18 1.78 0.02 4.97 -1.94 -1.26 -0.29 119.30 122.76 1xx5 s MET 79 Ca -0.01 -0.85 -0.25 0.00 -1.71 0.00 0.00 55.69 52.87 1xx5 s MET 79 Cb -0.04 -1.76 0.06 0.00 2.01 0.00 0.00 34.83 35.10 1xx5 s MET 79 CO 0.01 0.48 0.56 -1.54 -0.01 0.00 0.00 175.02 174.52 1xx5 s SER 80 N -0.67 -0.51 0.00 3.03 1.04 -0.92 -5.01 113.70 110.67 1xx5 s SER 80 Ca 0.09 0.33 0.27 0.00 0.48 0.00 0.00 55.95 57.12 1xx5 s SER 80 Cb -0.09 0.50 0.84 0.00 0.10 0.00 0.00 66.02 67.37 1xx5 s SER 80 CO -0.00 -0.69 1.62 -1.20 0.98 0.00 0.00 173.24 173.95 1xx5 n SER 81 N 0.56 0.77 -4.41 7.02 7.64 -1.26 -0.88 113.62 123.07 1xx5 n SER 81 Ca -0.19 -0.66 -0.33 0.00 1.01 0.00 0.00 58.87 58.71 1xx5 n SER 81 Cb 0.59 0.08 -0.14 0.00 -1.01 0.00 0.00 64.21 63.74 1xx5 n SER 81 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1xx5 s ASN 82 N -2.60 3.93 -0.39 6.43 -0.87 -1.26 -4.81 114.94 115.38 1xx5 s ASN 82 Ca 0.23 -0.28 -0.28 0.00 -1.57 0.00 0.00 52.86 50.95 1xx5 s ASN 82 Cb 0.19 -1.20 -0.03 0.00 -0.02 0.00 0.00 41.25 40.19 1xx5 s ASN 82 CO 0.54 0.25 1.91 0.00 -2.57 0.00 0.00 177.10 177.24 1xx5 s ALA 83 N -0.18 2.59 0.12 0.60 0.00 -1.26 -4.89 121.76 118.74 1xx5 s ALA 83 Ca -0.00 0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.14 1xx5 s ALA 83 Cb -0.13 -4.11 -0.04 0.00 0.00 0.00 0.00 23.12 18.83 1xx5 s ALA 83 CO 0.03 -3.08 -0.07 1.03 0.00 0.00 0.00 175.76 173.67 1xx5 s ARG 84 N 6.26 2.21 0.58 0.00 0.52 -1.26 -5.11 118.95 122.15 1xx5 s ARG 84 Ca 0.81 -1.04 -0.17 0.00 -0.52 0.00 0.00 55.73 54.81 1xx5 s ARG 84 Cb -0.21 -2.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.89 1xx5 s ARG 84 CO 0.30 0.50 1.09 0.95 0.02 0.00 0.00 175.30 178.16 1xx5 s THR 85 N -1.36 3.43 0.40 0.02 -4.23 -1.26 -4.91 115.64 107.72 1xx5 s THR 85 Ca 0.23 0.76 0.39 0.00 -1.18 0.00 0.00 61.69 61.90 1xx5 s THR 85 Cb -0.11 -3.27 0.41 0.00 1.34 0.00 0.00 72.50 70.87 1xx5 s THR 85 CO 0.15 -0.31 2.18 -0.50 -0.54 0.00 0.00 174.62 175.61 1xx5 h TRP 86 N 0.71 0.00 -0.25 3.99 4.06 -1.99 -1.43 115.95 121.03 1xx5 h TRP 86 Ca -0.48 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.30 1xx5 h TRP 86 Cb 1.24 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.40 1xx5 h TRP 86 CO 0.55 0.00 -0.50 1.15 -3.56 0.00 0.00 178.44 176.07 1xx5 h THR 87 N 0.00 1.30 0.16 1.49 2.02 -1.94 -0.30 112.91 115.63 1xx5 h THR 87 Ca 0.00 -1.71 -0.01 0.00 0.77 0.00 0.00 66.41 65.46 1xx5 h THR 87 Cb 0.15 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1xx5 h THR 87 CO 0.00 0.55 -0.07 -0.33 0.37 0.00 0.00 175.52 176.03 1xx5 h GLU 88 N 0.55 -0.20 0.11 6.66 5.08 -1.64 -2.38 114.58 122.77 1xx5 h GLU 88 Ca 0.02 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1xx5 h GLU 88 Cb 1.07 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 1xx5 h GLU 88 CO 0.10 0.09 -0.23 0.82 -1.00 0.00 0.00 179.01 178.80 1xx5 h ILE 89 N -0.50 0.48 -0.53 3.13 1.08 -1.48 0.54 117.51 120.24 1xx5 h ILE 89 Ca -0.02 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.53 1xx5 h ILE 89 Cb 0.39 0.48 -0.07 0.00 -3.07 0.00 0.00 36.82 34.55 1xx5 h ILE 89 CO 0.03 0.00 0.15 0.40 -0.69 0.00 0.00 178.15 178.05 1xx5 h ILE 90 N -0.43 0.76 -0.46 -0.67 2.04 -1.10 -0.46 117.51 117.19 1xx5 h ILE 90 Ca 0.03 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 1xx5 h ILE 90 Cb 0.45 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1xx5 h ILE 90 CO -0.13 0.06 0.03 0.45 0.00 0.00 0.00 178.15 178.55 1xx5 h HIS 91 N 0.31 0.77 -0.76 1.37 3.86 -1.09 -0.49 115.15 119.11 1xx5 h HIS 91 Ca 0.27 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1xx5 h HIS 91 Cb 0.34 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.55 1xx5 h HIS 91 CO -0.20 0.70 0.43 -0.07 0.86 0.00 0.00 177.93 179.65 1xx5 h LEU 92 N 0.69 0.94 -0.55 2.43 3.38 0.62 0.52 115.31 123.35 1xx5 h LEU 92 Ca 0.14 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1xx5 h LEU 92 Cb 0.39 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1xx5 h LEU 92 CO 0.01 0.76 0.08 -0.50 0.09 0.00 0.00 178.44 178.87 1xx5 h TRP 93 N 1.04 0.98 -0.59 1.13 6.55 -0.68 -3.20 115.95 121.19 1xx5 h TRP 93 Ca 0.27 -0.14 -0.05 0.00 0.95 0.00 0.00 58.89 59.91 1xx5 h TRP 93 Cb 0.02 -0.27 -0.03 0.00 -0.86 0.00 0.00 29.16 28.02 1xx5 h TRP 93 CO -0.00 0.87 0.15 1.25 -1.05 0.00 0.00 178.44 179.66 1xx5 h HIS 94 N 0.81 0.94 -0.14 0.49 2.76 -0.36 -3.16 115.15 116.49 1xx5 h HIS 94 Ca 0.17 -0.09 0.04 0.00 -2.20 0.00 0.00 60.37 58.28 1xx5 h HIS 94 Cb 0.43 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 1xx5 h HIS 94 CO 0.03 0.78 0.43 -0.44 -1.30 0.00 0.00 177.93 177.43 1xx5 h ASP 95 N 0.87 0.00 0.00 3.26 3.32 -0.91 -1.61 116.42 121.36 1xx5 h ASP 95 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1xx5 h ASP 95 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1xx5 h ASP 95 CO -0.00 0.00 0.04 -0.33 -1.72 0.00 0.00 179.24 177.23 1xx5 h GLU 96 N 0.00 0.00 -0.07 3.56 5.08 -1.73 -0.95 114.58 120.48 1xx5 h GLU 96 Ca 0.07 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1xx5 h GLU 96 Cb 0.92 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 1xx5 h GLU 96 CO -0.00 0.00 0.11 0.10 -1.00 0.00 0.00 179.01 178.22 1xx5 h TYR 97 N 0.00 0.00 0.00 4.33 -0.00 -1.56 0.32 116.97 120.05 1xx5 h TYR 97 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.71 1xx5 h TYR 97 Cb 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.81 1xx5 h TYR 97 CO 0.00 0.00 -0.07 0.87 -0.00 0.00 0.00 178.16 178.96 1xx5 h LYS 98 N 0.00 0.00 -0.29 0.10 1.57 -1.43 -1.69 116.57 114.82 1xx5 h LYS 98 Ca 0.03 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 1xx5 h LYS 98 Cb 0.25 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.47 1xx5 h LYS 98 CO -0.00 0.07 -0.14 0.09 -0.57 0.00 0.00 179.45 178.90 1xx5 n ASN 99 N -3.47 2.39 -4.21 0.86 5.03 0.09 -5.00 115.26 110.96 1xx5 n ASN 99 Ca -0.02 -3.77 -0.22 0.00 0.87 0.00 0.00 54.58 51.44 1xx5 n ASN 99 Cb 0.21 -0.62 -0.13 0.00 -1.02 0.00 0.00 39.78 38.22 1xx5 n ASN 99 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1xx5 s PHE 100 N -3.23 1.52 -0.16 3.10 5.36 -0.64 -0.97 117.98 122.96 1xx5 s PHE 100 Ca 0.43 -0.38 -0.04 0.00 -0.96 0.00 0.00 56.93 55.98 1xx5 s PHE 100 Cb 0.40 -0.88 0.06 0.00 -0.34 0.00 0.00 43.02 42.25 1xx5 s PHE 100 CO -0.01 0.09 0.07 0.08 -1.46 0.00 0.00 175.22 173.99 1xx5 s VAL 101 N -0.94 0.10 -0.16 3.12 1.01 0.10 -4.91 120.40 118.71 1xx5 s VAL 101 Ca 0.04 -0.22 -0.40 0.00 0.00 0.00 0.00 61.98 61.40 1xx5 s VAL 101 Cb -0.09 -0.67 -0.17 0.00 0.00 0.00 0.00 36.38 35.46 1xx5 s VAL 101 CO 0.02 -0.21 1.56 0.00 0.00 0.00 0.00 175.10 176.47 1xx5 n TYR 102 N 5.21 1.78 0.00 5.22 9.36 -1.26 0.03 117.16 137.50 1xx5 n TYR 102 Ca -0.07 0.65 0.00 0.00 3.32 0.00 0.00 57.90 61.79 1xx5 n TYR 102 Cb 0.49 -2.38 0.00 0.00 -0.63 0.00 0.00 39.34 36.82 1xx5 n TYR 102 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1xx5 n GLY 103 N 3.48 2.71 0.11 2.98 0.00 0.13 -4.75 105.19 109.87 1xx5 n GLY 103 Ca 0.24 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1xx5 n GLY 103 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xx5 n VAL 104 N 0.00 1.52 0.00 1.61 0.31 0.96 -4.84 118.33 117.89 1xx5 n VAL 104 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1xx5 n VAL 104 Cb 0.00 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 30.90 1xx5 n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xx5 n GLY 105 N 1.39 0.43 3.75 2.92 0.00 0.10 -4.89 105.19 108.89 1xx5 n GLY 105 Ca -0.37 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 1xx5 n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xx5 s ALA 106 N -2.00 3.53 -0.30 4.61 0.00 -1.26 -0.72 121.76 125.61 1xx5 s ALA 106 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1xx5 s ALA 106 Cb 0.00 -3.48 0.14 0.00 0.00 0.00 0.00 23.12 19.78 1xx5 s ALA 106 CO 0.00 -0.57 0.30 1.21 0.00 0.00 0.00 175.76 176.70 1xx5 s ASN 107 N 0.03 1.69 0.70 0.00 2.47 -0.14 -3.19 114.94 116.51 1xx5 s ASN 107 Ca 0.54 -0.93 -0.14 0.00 0.42 0.00 0.00 52.86 52.75 1xx5 s ASN 107 Cb -0.38 0.47 0.02 0.00 -1.45 0.00 0.00 41.25 39.91 1xx5 s ASN 107 CO 0.43 -0.37 1.14 -2.16 -3.72 0.00 0.00 177.10 172.42 1xx5 s PRO 108 N 2.19 2.48 0.45 0.43 0.04 -1.26 -4.48 135.00 134.84 1xx5 s PRO 108 Ca 0.11 1.49 0.31 0.00 0.04 0.00 0.00 61.00 62.95 1xx5 s PRO 108 Cb -0.14 -1.90 1.43 0.00 0.04 0.00 0.00 34.50 33.92 1xx5 s PRO 108 CO -0.28 -1.52 1.64 -1.35 0.04 0.00 0.00 177.00 175.54 1xx5 h PRO 109 N -0.24 0.10 0.00 0.56 0.11 -1.93 0.17 132.00 130.77 1xx5 h PRO 109 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xx5 h PRO 109 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1xx5 h PRO 109 CO 0.52 0.07 -0.06 0.41 -0.21 0.00 0.00 178.00 178.72 1xx5 n GLY 110 N -1.57 -1.48 3.76 -0.55 0.00 -1.26 -4.78 105.19 99.32 1xx5 n GLY 110 Ca 0.36 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 1xx5 n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xx5 s SER 111 N -3.06 5.72 -0.20 1.61 0.01 0.04 -4.98 113.70 112.84 1xx5 s SER 111 Ca 0.13 2.82 -0.22 0.00 1.31 0.00 0.00 55.95 60.00 1xx5 s SER 111 Cb 0.19 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.75 1xx5 s SER 111 CO 0.55 -1.27 0.67 -0.69 0.41 0.00 0.00 173.24 172.91 1xx5 s VAL 112 N -1.26 4.99 0.00 3.43 1.01 -1.26 -4.82 120.40 122.49 1xx5 s VAL 112 Ca 0.64 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.89 1xx5 s VAL 112 Cb -0.41 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1xx5 s VAL 112 CO 0.52 0.09 0.35 0.35 0.00 0.00 0.00 175.10 176.40 1xx5 n THR 113 N 4.74 0.11 0.08 3.92 -2.24 -1.26 -4.82 114.28 114.82 1xx5 n THR 113 Ca -0.00 -0.18 0.05 0.00 -2.27 0.00 0.00 64.05 61.65 1xx5 n THR 113 Cb 0.49 1.36 0.49 0.00 -2.10 0.00 0.00 70.33 70.57 1xx5 n THR 113 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xx5 h GLY 114 N 0.00 0.39 2.00 3.38 0.00 -1.95 -1.99 103.07 104.91 1xx5 h GLY 114 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 1xx5 h GLY 114 CO 0.00 0.15 -0.31 0.45 0.00 0.00 0.00 176.54 176.82 1xx5 h HIS 115 N 0.38 0.00 0.02 5.60 3.86 -1.89 -2.92 115.15 120.20 1xx5 h HIS 115 Ca 0.10 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1xx5 h HIS 115 Cb -0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1xx5 h HIS 115 CO 0.00 0.31 -0.14 -0.92 0.86 0.00 0.00 177.93 178.04 1xx5 h TYR 116 N 0.00 0.11 -0.74 2.45 3.20 -1.34 -3.31 116.97 117.33 1xx5 h TYR 116 Ca -0.00 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.80 1xx5 h TYR 116 Cb 0.85 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.07 1xx5 h TYR 116 CO 0.00 0.99 0.49 1.79 -1.64 0.00 0.00 178.16 179.79 1xx5 h THR 117 N -0.80 1.19 -0.27 1.81 1.35 -1.50 -2.33 112.91 112.37 1xx5 h THR 117 Ca -0.02 -0.35 -0.03 0.00 -0.55 0.00 0.00 66.41 65.46 1xx5 h THR 117 Cb 1.04 0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.54 1xx5 h THR 117 CO 0.03 0.18 0.01 -0.61 -0.25 0.00 0.00 175.52 174.89 1xx5 h GLN 118 N 1.01 0.39 -0.29 4.72 5.75 -1.64 -1.36 115.11 123.69 1xx5 h GLN 118 Ca 0.27 -0.07 -0.14 0.00 -0.15 0.00 0.00 58.65 58.56 1xx5 h GLN 118 Cb -0.12 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.36 1xx5 h GLN 118 CO -0.06 0.41 -0.40 0.82 -2.65 0.00 0.00 178.83 176.96 1xx5 h ILE 119 N 0.39 1.29 -0.66 2.39 2.04 -1.50 -3.15 117.51 118.30 1xx5 h ILE 119 Ca 0.09 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.38 1xx5 h ILE 119 Cb 0.24 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1xx5 h ILE 119 CO 0.00 0.50 0.00 1.33 0.00 0.00 0.00 178.15 179.99 1xx5 n VAL 120 N -4.04 1.88 -2.02 1.67 0.24 -1.06 -4.78 118.33 110.23 1xx5 n VAL 120 Ca -0.02 -1.21 -0.43 0.00 -2.04 0.00 0.00 64.34 60.65 1xx5 n VAL 120 Cb 0.53 0.11 -0.03 0.00 -1.47 0.00 0.00 33.84 32.98 1xx5 n VAL 120 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1xx5 s TRP 121 N -1.88 1.89 0.29 6.34 -0.11 -0.54 -4.64 118.94 120.28 1xx5 s TRP 121 Ca 0.52 0.54 0.04 0.00 1.22 0.00 0.00 56.10 58.42 1xx5 s TRP 121 Cb 0.34 -4.07 0.73 0.00 -1.50 0.00 0.00 33.47 28.97 1xx5 s TRP 121 CO 0.25 -3.09 1.70 0.10 -4.62 0.00 0.00 176.95 171.28 1xx5 h TYR 122 N 11.97 0.66 0.00 5.86 -0.00 -1.45 -2.17 116.97 131.84 1xx5 h TYR 122 Ca -0.35 0.04 -0.00 0.00 0.00 0.00 0.00 58.73 58.42 1xx5 h TYR 122 Cb 1.17 -0.15 -0.00 0.00 0.00 0.00 0.00 36.73 37.75 1xx5 h TYR 122 CO 0.94 -0.05 -0.00 0.37 -0.00 0.00 0.00 178.16 179.42 1xx5 h GLN 123 N 0.40 0.00 -6.40 0.10 4.15 -1.84 -2.86 115.11 108.67 1xx5 h GLN 123 Ca 0.56 0.00 -0.58 0.00 0.77 0.00 0.00 58.65 59.40 1xx5 h GLN 123 Cb 1.07 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.67 1xx5 h GLN 123 CO -0.53 0.00 0.74 0.99 -1.93 0.00 0.00 178.83 178.10 1xx5 s THR 124 N -3.28 4.35 -0.45 2.39 2.01 -0.82 -4.32 115.64 115.53 1xx5 s THR 124 Ca 0.06 0.96 0.06 0.00 0.31 0.00 0.00 61.69 63.09 1xx5 s THR 124 Cb 0.06 -4.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 1xx5 s THR 124 CO 0.65 -0.91 0.39 0.00 -0.69 0.00 0.00 174.62 174.06 1xx5 n TYR 125 N 7.47 0.00 -4.98 4.92 4.11 -1.16 -4.75 117.16 122.78 1xx5 n TYR 125 Ca 0.09 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.69 1xx5 n TYR 125 Cb 0.49 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.68 1xx5 n TYR 125 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1xx5 s ARG 126 N -1.23 1.84 0.01 -3.48 0.52 -0.40 0.85 118.95 117.06 1xx5 s ARG 126 Ca 0.04 -1.06 -0.18 0.00 -0.52 0.00 0.00 55.73 54.01 1xx5 s ARG 126 Cb 0.05 -1.96 0.03 0.00 0.52 0.00 0.00 34.95 33.59 1xx5 s ARG 126 CO 0.19 0.51 0.39 0.00 0.02 0.00 0.00 175.30 176.41 1xx5 s ALA 127 N -0.76 -0.97 -0.10 2.13 0.00 -0.50 0.46 121.76 122.01 1xx5 s ALA 127 Ca 0.11 0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.37 1xx5 s ALA 127 Cb -0.10 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.23 1xx5 s ALA 127 CO 0.01 -0.36 0.31 0.20 0.00 0.00 0.00 175.76 175.93 1xx5 s GLY 128 N -1.62 -0.22 0.21 0.00 0.00 0.63 0.61 107.32 106.93 1xx5 s GLY 128 Ca -0.09 0.80 -0.01 0.00 0.00 0.00 0.00 44.72 45.42 1xx5 s GLY 128 CO 0.02 0.67 0.13 0.00 0.00 0.00 0.00 173.10 173.92 1xx5 s ALA 130 N -4.12 -1.91 0.05 0.00 0.00 0.11 -4.71 121.76 111.18 1xx5 s ALA 130 Ca 0.39 1.24 0.04 0.00 0.00 0.00 0.00 51.96 53.63 1xx5 s ALA 130 Cb 0.07 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 1xx5 s ALA 130 CO 0.13 -0.62 -0.12 0.54 0.00 0.00 0.00 175.76 175.69 1xx5 s VAL 131 N -2.72 0.89 0.08 0.00 0.11 -1.26 -0.39 120.40 117.11 1xx5 s VAL 131 Ca 0.06 -1.10 0.07 0.00 -2.93 0.00 0.00 61.98 58.07 1xx5 s VAL 131 Cb -0.01 -0.87 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 1xx5 s VAL 131 CO -0.07 -0.20 -0.18 -0.55 -3.33 0.00 0.00 175.10 170.78 1xx5 s SER 132 N -1.45 2.12 -0.29 3.54 0.15 -0.60 -4.97 113.70 112.19 1xx5 s SER 132 Ca -0.03 -0.63 -0.16 0.00 0.70 0.00 0.00 55.95 55.83 1xx5 s SER 132 Cb -0.09 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.09 1xx5 s SER 132 CO 0.01 0.01 0.41 -0.47 1.20 0.00 0.00 173.24 174.40 1xx5 s TYR 133 N -1.15 3.23 -0.63 3.44 5.04 -1.26 -2.42 117.35 123.59 1xx5 s TYR 133 Ca 0.03 0.32 0.05 0.00 -2.44 0.00 0.00 57.07 55.02 1xx5 s TYR 133 Cb -0.10 -2.67 0.16 0.00 0.35 0.00 0.00 41.96 39.70 1xx5 s TYR 133 CO 0.03 -0.32 0.41 0.00 -1.34 0.00 0.00 175.55 174.33 1xx5 n PRO 135 N 2.37 0.04 0.00 0.00 -0.04 -1.26 -3.10 135.00 133.01 1xx5 n PRO 135 Ca 0.15 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 1xx5 n PRO 135 Cb 0.34 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1xx5 n PRO 135 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xx5 n SER 136 N -1.42 0.47 -3.99 3.54 2.88 -1.26 -5.04 113.62 108.80 1xx5 n SER 136 Ca 0.02 -0.73 -0.30 0.00 -1.33 0.00 0.00 58.87 56.53 1xx5 n SER 136 Cb 0.08 0.45 0.20 0.00 -0.75 0.00 0.00 64.21 64.20 1xx5 n SER 136 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1xx5 s SER 137 N -0.45 2.86 0.10 -3.46 0.01 -1.18 -4.97 113.70 106.60 1xx5 s SER 137 Ca 0.00 0.12 -0.30 0.00 1.31 0.00 0.00 55.95 57.09 1xx5 s SER 137 Cb 0.00 -0.08 -0.13 0.00 0.21 0.00 0.00 66.02 66.03 1xx5 s SER 137 CO 0.00 -2.88 1.63 0.00 0.41 0.00 0.00 173.24 172.39 1xx5 h ALA 138 N -1.73 -0.65 -1.58 1.44 0.00 -1.91 -3.43 119.26 111.40 1xx5 h ALA 138 Ca -0.44 -0.10 -0.44 0.00 0.00 0.00 0.00 54.91 53.93 1xx5 h ALA 138 Cb 1.21 0.44 0.01 0.00 0.00 0.00 0.00 17.79 19.45 1xx5 h ALA 138 CO 0.32 -0.90 -0.31 -1.58 0.00 0.00 0.00 179.25 176.78 1xx5 s TRP 139 N -6.03 2.89 -0.07 0.00 0.52 -1.26 -5.06 118.94 109.93 1xx5 s TRP 139 Ca -0.16 -0.35 0.19 0.00 0.02 0.00 0.00 56.10 55.79 1xx5 s TRP 139 Cb 0.06 -2.20 -0.28 0.00 -1.15 0.00 0.00 33.47 29.89 1xx5 s TRP 139 CO 0.64 -0.22 0.43 0.43 0.02 0.00 0.00 176.95 178.24 1xx5 n SER 140 N -1.72 0.75 -3.85 2.95 7.64 -1.20 -4.69 113.62 113.50 1xx5 n SER 140 Ca 0.04 -0.05 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1xx5 n SER 140 Cb 0.59 1.81 -0.15 0.00 -1.01 0.00 0.00 64.21 65.44 1xx5 n SER 140 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xx5 s TYR 141 N -3.26 2.09 -0.43 1.43 1.51 -0.06 -1.38 117.35 117.26 1xx5 s TYR 141 Ca -0.06 -1.73 -0.17 0.00 -1.01 0.00 0.00 57.07 54.10 1xx5 s TYR 141 Cb 0.12 -1.68 0.03 0.00 -0.11 0.00 0.00 41.96 40.32 1xx5 s TYR 141 CO 0.77 -0.80 0.41 0.12 -1.11 0.00 0.00 175.55 174.95 1xx5 s PHE 142 N 1.49 3.19 -0.08 2.71 5.36 -1.02 -2.16 117.98 127.47 1xx5 s PHE 142 Ca 0.02 -0.49 -0.08 0.00 -0.96 0.00 0.00 56.93 55.41 1xx5 s PHE 142 Cb -0.18 -2.89 -0.04 0.00 -0.34 0.00 0.00 43.02 39.57 1xx5 s PHE 142 CO -0.13 -0.71 0.20 0.71 -1.46 0.00 0.00 175.22 173.84 1xx5 s TYR 143 N 2.01 3.62 -0.07 10.12 1.51 0.61 -1.56 117.35 133.59 1xx5 s TYR 143 Ca 0.10 0.61 -0.03 0.00 -1.01 0.00 0.00 57.07 56.74 1xx5 s TYR 143 Cb -0.18 -2.00 0.04 0.00 -0.11 0.00 0.00 41.96 39.70 1xx5 s TYR 143 CO 0.12 0.71 0.15 0.08 -1.11 0.00 0.00 175.55 175.49 1xx5 s VAL 144 N -1.07 -0.11 -0.04 0.71 1.01 0.48 -1.91 120.40 119.47 1xx5 s VAL 144 Ca 0.18 0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.45 1xx5 s VAL 144 Cb -0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 1xx5 s VAL 144 CO 0.07 0.10 -0.21 0.00 0.00 0.00 0.00 175.10 175.06 1xx5 s GLN 146 N -0.16 1.98 0.05 0.00 -0.21 0.31 -1.15 119.66 120.49 1xx5 s GLN 146 Ca -0.01 -0.51 0.05 0.00 0.02 0.00 0.00 55.36 54.92 1xx5 s GLN 146 Cb -0.12 -1.60 -0.04 0.00 1.00 0.00 0.00 33.01 32.26 1xx5 s GLN 146 CO 0.02 0.05 -0.10 0.71 -2.12 0.00 0.00 175.29 173.86 1xx5 s TYR 147 N 0.62 2.78 -0.02 0.91 2.02 0.35 -0.27 117.35 123.73 1xx5 s TYR 147 Ca -0.15 -0.12 -0.00 0.00 -0.37 0.00 0.00 57.07 56.43 1xx5 s TYR 147 Cb -0.16 -1.51 0.03 0.00 -0.40 0.00 0.00 41.96 39.91 1xx5 s TYR 147 CO 0.05 0.38 0.03 0.00 -1.57 0.00 0.00 175.55 174.44 1xx5 s PRO 149 N 1.08 2.62 0.60 0.00 0.04 -1.26 -1.28 135.00 136.80 1xx5 s PRO 149 Ca -0.09 1.06 -0.19 0.00 0.04 0.00 0.00 61.00 61.82 1xx5 s PRO 149 Cb -0.13 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1xx5 s PRO 149 CO -0.03 -1.36 1.22 0.45 0.04 0.00 0.00 177.00 177.32 1xx5 n SER 150 N -3.31 1.88 -1.98 6.66 2.88 0.25 -4.30 113.62 115.70 1xx5 n SER 150 Ca 0.08 0.87 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1xx5 n SER 150 Cb 0.53 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 1xx5 n SER 150 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xx5 n GLY 151 N 0.98 2.75 3.55 0.46 0.00 -1.26 -4.81 105.19 106.86 1xx5 n GLY 151 Ca 0.14 -2.16 -0.26 0.00 0.00 0.00 0.00 46.02 43.74 1xx5 n GLY 151 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xx5 n ASN 152 N -2.27 -5.77 -4.69 1.61 5.03 -1.26 -4.88 115.26 103.03 1xx5 n ASN 152 Ca 0.00 -0.90 -0.42 0.00 0.87 0.00 0.00 54.58 54.12 1xx5 n ASN 152 Cb 0.00 -3.89 -0.03 0.00 -1.02 0.00 0.00 39.78 34.85 1xx5 n ASN 152 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1xx5 s PHE 153 N -3.42 3.16 -0.23 3.10 5.36 -1.26 -4.85 117.98 119.84 1xx5 s PHE 153 Ca 0.45 1.14 -0.21 0.00 -0.96 0.00 0.00 56.93 57.35 1xx5 s PHE 153 Cb -0.13 -3.48 -0.09 0.00 -0.34 0.00 0.00 43.02 38.98 1xx5 s PHE 153 CO 0.83 -1.57 0.99 1.04 -1.46 0.00 0.00 175.22 175.04 1xx5 n GLN 154 N 5.01 0.00 -2.27 10.12 6.02 -1.26 -1.16 117.38 133.84 1xx5 n GLN 154 Ca 0.11 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.06 1xx5 n GLN 154 Cb 0.46 -0.70 0.00 0.00 1.02 0.00 0.00 30.24 31.02 1xx5 n GLN 154 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xx5 n GLY 155 N 3.43 0.32 1.12 1.08 0.00 -1.26 -4.93 105.19 104.95 1xx5 n GLY 155 Ca 0.25 -0.64 -0.05 0.00 0.00 0.00 0.00 46.02 45.58 1xx5 n GLY 155 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xx5 n LYS 156 N -1.42 0.03 0.00 1.61 5.02 -0.31 -4.93 118.16 118.15 1xx5 n LYS 156 Ca -0.04 -1.20 0.13 0.00 -2.02 0.00 0.00 58.31 55.19 1xx5 n LYS 156 Cb 0.53 0.40 0.51 0.00 -0.02 0.00 0.00 35.03 36.45 1xx5 n LYS 156 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xx5 n THR 157 N 0.07 0.00 0.17 -0.18 -2.24 -1.26 -3.64 114.28 107.20 1xx5 n THR 157 Ca -0.21 -0.01 0.04 0.00 -2.27 0.00 0.00 64.05 61.59 1xx5 n THR 157 Cb 0.79 -0.17 0.26 0.00 -2.10 0.00 0.00 70.33 69.10 1xx5 n THR 157 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xx5 h ALA 158 N 3.15 0.93 -2.75 6.98 0.00 -1.90 -3.36 119.26 122.31 1xx5 h ALA 158 Ca 0.00 -0.41 -0.61 0.00 0.00 0.00 0.00 54.91 53.89 1xx5 h ALA 158 Cb 0.46 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 17.77 1xx5 h ALA 158 CO 0.00 0.56 -0.67 0.25 0.00 0.00 0.00 179.25 179.39 1xx5 n THR 159 N -3.53 1.16 1.00 0.00 -2.24 -1.24 0.22 114.28 109.66 1xx5 n THR 159 Ca -0.00 -4.64 0.08 0.00 -2.27 0.00 0.00 64.05 57.22 1xx5 n THR 159 Cb 0.57 -2.07 0.48 0.00 -2.10 0.00 0.00 70.33 67.21 1xx5 n THR 159 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1xx5 n PRO 160 N 1.89 0.48 -3.64 -0.78 -0.04 -1.26 -4.84 135.00 126.82 1xx5 n PRO 160 Ca 0.23 0.01 -0.02 0.00 -0.04 0.00 0.00 63.50 63.69 1xx5 n PRO 160 Cb 0.39 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.34 1xx5 n PRO 160 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1xx5 s TYR 161 N -2.06 -0.12 -0.04 0.54 -0.85 -1.26 -1.16 117.35 112.39 1xx5 s TYR 161 Ca 0.24 -0.03 -0.17 0.00 -0.52 0.00 0.00 57.07 56.58 1xx5 s TYR 161 Cb 0.11 0.56 -0.05 0.00 0.38 0.00 0.00 41.96 42.97 1xx5 s TYR 161 CO 0.19 -0.44 0.47 0.21 -1.52 0.00 0.00 175.55 174.47 1xx5 s LYS 162 N -2.73 4.18 0.49 -3.49 2.20 -1.26 -5.01 119.74 114.11 1xx5 s LYS 162 Ca 0.12 0.49 -0.19 0.00 -0.36 0.00 0.00 55.97 56.03 1xx5 s LYS 162 Cb 0.01 -3.33 -0.09 0.00 -1.51 0.00 0.00 37.83 32.92 1xx5 s LYS 162 CO -0.03 0.42 0.99 -0.51 -0.36 0.00 0.00 175.35 175.87 1xx5 s LEU 163 N -0.25 3.77 0.00 5.43 1.02 -1.26 -0.65 118.68 126.74 1xx5 s LEU 163 Ca 0.26 1.72 0.00 0.00 0.02 0.00 0.00 54.13 56.13 1xx5 s LEU 163 Cb -0.16 -4.53 0.00 0.00 0.02 0.00 0.00 46.19 41.51 1xx5 s LEU 163 CO 0.13 -0.62 0.00 0.61 0.02 0.00 0.00 176.35 176.49 1xx5 n GLY 164 N -0.87 0.47 3.76 -3.19 0.00 -0.80 -4.55 105.19 100.02 1xx5 n GLY 164 Ca 0.08 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 1xx5 n GLY 164 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xx5 s PRO 165 N -1.61 4.24 0.05 1.61 0.04 -1.26 -3.82 135.00 134.25 1xx5 s PRO 165 Ca 0.00 2.37 -0.38 0.00 0.04 0.00 0.00 61.00 63.04 1xx5 s PRO 165 Cb 0.00 -3.05 -0.19 0.00 0.04 0.00 0.00 34.50 31.31 1xx5 s PRO 165 CO 0.00 -0.38 1.06 -2.30 0.04 0.00 0.00 177.00 175.42 1xx5 n PRO 166 N 1.18 0.28 -2.14 0.56 -0.02 -1.23 -0.60 135.00 133.02 1xx5 n PRO 166 Ca 0.03 0.10 -0.19 0.00 -2.02 0.00 0.00 63.50 61.41 1xx5 n PRO 166 Cb 0.40 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.29 1xx5 n PRO 166 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xx5 h GLY 168 N 0.00 0.00 -0.99 0.00 0.00 -0.43 -2.67 103.07 98.99 1xx5 h GLY 168 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1xx5 h GLY 168 CO 0.54 0.00 -0.43 1.22 0.00 0.00 0.00 176.54 177.87 1xx5 n ASP 169 N -3.24 2.04 -3.13 0.19 8.00 0.46 -4.51 116.55 116.36 1xx5 n ASP 169 Ca 0.00 -1.51 -0.19 0.00 0.71 0.00 0.00 54.79 53.79 1xx5 n ASP 169 Cb 0.34 0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 41.83 1xx5 n ASP 169 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xx5 h PRO 171 N 3.53 0.00 -0.38 0.00 0.13 -1.72 -2.71 132.00 130.84 1xx5 h PRO 171 Ca 0.06 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.07 1xx5 h PRO 171 Cb 0.94 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.00 1xx5 h PRO 171 CO 0.45 0.00 0.04 0.43 -0.23 0.00 0.00 178.00 178.68 1xx5 n SER 172 N -3.05 3.44 -2.77 1.44 7.64 -1.26 -4.60 113.62 114.47 1xx5 n SER 172 Ca -0.02 -3.36 -0.10 0.00 1.01 0.00 0.00 58.87 56.41 1xx5 n SER 172 Cb 0.16 -0.62 0.08 0.00 -1.01 0.00 0.00 64.21 62.82 1xx5 n SER 172 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xx5 n ALA 173 N -0.75 -0.28 -2.52 -0.43 0.00 -1.02 -5.06 120.51 110.45 1xx5 n ALA 173 Ca 0.30 -1.63 -0.33 0.00 0.00 0.00 0.00 53.44 51.78 1xx5 n ALA 173 Cb 1.04 -1.12 -0.13 0.00 0.00 0.00 0.00 19.45 19.24 1xx5 n ALA 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xx5 n ASP 175 N 2.41 2.47 -2.89 0.00 -0.08 -0.32 -4.89 116.55 113.26 1xx5 n ASP 175 Ca -0.17 -3.21 -0.09 0.00 -1.51 0.00 0.00 54.79 49.81 1xx5 n ASP 175 Cb 0.52 -0.63 0.04 0.00 2.34 0.00 0.00 41.12 43.39 1xx5 n ASP 175 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1xx5 n ASN 176 N 0.73 -6.09 0.00 1.67 4.05 -1.26 -3.72 115.26 110.64 1xx5 n ASN 176 Ca 0.27 -0.43 0.00 0.00 0.45 0.00 0.00 54.58 54.87 1xx5 n ASN 176 Cb 0.47 -4.42 0.00 0.00 1.23 0.00 0.00 39.78 37.07 1xx5 n ASN 176 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1xx5 n GLY 177 N -1.38 1.56 3.37 8.20 0.00 -1.26 -4.95 105.19 110.72 1xx5 n GLY 177 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1xx5 n GLY 177 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xx5 s LEU 178 N 0.00 2.50 0.57 0.99 1.43 -1.24 -4.02 118.68 118.90 1xx5 s LEU 178 Ca 0.00 -0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 52.60 1xx5 s LEU 178 Cb 0.00 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 1xx5 s LEU 178 CO 0.00 0.26 1.02 0.00 0.23 0.00 0.00 176.35 177.86 1xx5 n THR 180 N -1.94 0.34 -3.13 0.00 -2.24 -0.76 0.08 114.28 106.63 1xx5 n THR 180 Ca 0.08 -0.38 -0.31 0.00 -2.27 0.00 0.00 64.05 61.16 1xx5 n THR 180 Cb 0.53 0.94 -0.04 0.00 -2.10 0.00 0.00 70.33 69.67 1xx5 n THR 180 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1xx5 n ASN 181 N -0.17 4.84 -4.75 3.42 2.04 -1.26 -5.04 115.26 114.33 1xx5 n ASN 181 Ca 0.00 -3.54 -0.40 0.00 -0.44 0.00 0.00 54.58 50.20 1xx5 n ASN 181 Cb 0.34 -0.80 -0.05 0.00 -2.53 0.00 0.00 39.78 36.75 1xx5 n ASN 181 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 1xx5 s PRO 182 N -3.03 4.77 -0.02 -0.53 0.04 -1.26 -1.22 135.00 133.75 1xx5 s PRO 182 Ca 0.41 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.74 1xx5 s PRO 182 Cb 0.17 -3.26 -0.06 0.00 0.04 0.00 0.00 34.50 31.40 1xx5 s PRO 182 CO -0.04 0.39 1.54 0.00 0.04 0.00 0.00 177.00 178.93 1xx5 n THR 184 N 5.04 0.33 -4.50 0.00 -2.24 -1.26 -4.81 114.28 106.84 1xx5 n THR 184 Ca 0.15 0.08 -0.25 0.00 -2.27 0.00 0.00 64.05 61.76 1xx5 n THR 184 Cb 0.43 -0.69 -0.10 0.00 -2.10 0.00 0.00 70.33 67.87 1xx5 n THR 184 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1xx5 s ILE 185 N -2.79 2.35 0.05 2.28 -4.36 -1.26 -5.15 121.20 112.32 1xx5 s ILE 185 Ca 0.17 -2.22 0.04 0.00 -0.26 0.00 0.00 60.65 58.38 1xx5 s ILE 185 Cb 0.15 -2.59 -0.02 0.00 1.25 0.00 0.00 42.46 41.25 1xx5 s ILE 185 CO 0.39 -0.25 -0.12 -0.31 0.24 0.00 0.00 174.94 174.90 1xx5 s TYR 186 N -2.57 1.03 0.61 1.37 1.51 -1.26 -4.62 117.35 113.41 1xx5 s TYR 186 Ca 0.32 -0.41 -0.17 0.00 -1.01 0.00 0.00 57.07 55.80 1xx5 s TYR 186 Cb 0.00 -0.60 -0.02 0.00 -0.11 0.00 0.00 41.96 41.23 1xx5 s TYR 186 CO 0.17 0.01 1.13 -0.80 -1.11 0.00 0.00 175.55 174.95 1xx5 s ASN 187 N -1.39 5.28 0.09 2.29 0.01 -1.26 -4.45 114.94 115.51 1xx5 s ASN 187 Ca -0.03 2.13 0.22 0.00 -0.71 0.00 0.00 52.86 54.48 1xx5 s ASN 187 Cb -0.09 -2.57 -0.16 0.00 0.41 0.00 0.00 41.25 38.85 1xx5 s ASN 187 CO 0.01 -1.52 0.77 0.29 -1.51 0.00 0.00 177.10 175.14 1xx5 n LYS 188 N -1.93 0.63 -4.20 -0.60 5.02 -0.56 -4.92 118.16 111.60 1xx5 n LYS 188 Ca 0.11 -0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.17 1xx5 n LYS 188 Cb 0.51 -1.69 -0.06 0.00 -0.02 0.00 0.00 35.03 33.77 1xx5 n LYS 188 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xx5 s LEU 189 N -5.06 3.53 0.02 -0.35 1.02 -1.15 -5.03 118.68 111.66 1xx5 s LEU 189 Ca -0.04 -0.42 0.22 0.00 0.02 0.00 0.00 54.13 53.91 1xx5 s LEU 189 Cb 0.11 -2.06 -0.12 0.00 0.02 0.00 0.00 46.19 44.13 1xx5 s LEU 189 CO 0.84 -0.01 0.86 0.35 0.02 0.00 0.00 176.35 178.40 1xx5 n THR 190 N -1.00 0.09 -1.32 5.49 -2.24 -1.26 -4.35 114.28 109.68 1xx5 n THR 190 Ca -0.07 -0.24 -0.29 0.00 -2.27 0.00 0.00 64.05 61.17 1xx5 n THR 190 Cb 0.58 0.36 0.12 0.00 -2.10 0.00 0.00 70.33 69.30 1xx5 n THR 190 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1xx5 n ASN 191 N -1.92 5.91 -0.00 3.42 6.94 -1.26 -4.62 115.26 123.73 1xx5 n ASN 191 Ca 0.01 -3.72 -0.17 0.00 -0.02 0.00 0.00 54.58 50.68 1xx5 n ASN 191 Cb 0.44 -0.89 -0.07 0.00 -2.36 0.00 0.00 39.78 36.90 1xx5 n ASN 191 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xx5 h ASP 193 N 0.48 0.05 0.29 0.00 3.45 -1.95 0.33 116.42 119.07 1xx5 h ASP 193 Ca -0.07 0.10 -0.22 0.00 0.43 0.00 0.00 57.03 57.28 1xx5 h ASP 193 Cb 1.47 0.13 0.00 0.00 -0.56 0.00 0.00 39.33 40.38 1xx5 h ASP 193 CO 0.17 0.04 -0.89 0.77 -1.57 0.00 0.00 179.24 177.75 1xx5 h SER 194 N 0.29 0.55 -0.45 6.45 4.64 -1.92 -1.72 113.55 121.39 1xx5 h SER 194 Ca 0.31 -0.42 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1xx5 h SER 194 Cb 0.44 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 1xx5 h SER 194 CO -0.38 1.21 0.28 -0.07 -0.87 0.00 0.00 176.83 177.00 1xx5 h LEU 195 N 0.26 0.53 -0.94 5.97 3.38 -0.38 -1.83 115.31 122.30 1xx5 h LEU 195 Ca -0.07 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1xx5 h LEU 195 Cb 1.52 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1xx5 h LEU 195 CO 0.16 0.42 -0.49 -0.07 0.09 0.00 0.00 178.44 178.54 1xx5 h LEU 196 N 0.59 0.10 -0.99 1.67 -0.00 -0.38 -0.35 115.31 115.95 1xx5 h LEU 196 Ca 0.16 -0.05 -0.09 0.00 -0.00 0.00 0.00 57.88 57.90 1xx5 h LEU 196 Cb -0.02 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.60 1xx5 h LEU 196 CO -0.03 0.58 -0.22 0.11 -0.00 0.00 0.00 178.44 178.87 1xx5 h LYS 197 N 0.08 0.47 0.00 1.13 1.57 -0.89 -3.30 116.57 115.62 1xx5 h LYS 197 Ca 0.00 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 1xx5 h LYS 197 Cb 0.89 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1xx5 h LYS 197 CO 0.07 0.66 -0.30 1.96 -0.57 0.00 0.00 179.45 181.28 1xx5 h GLN 198 N 0.42 0.00 0.00 3.15 4.20 -1.11 -3.49 115.11 118.27 1xx5 h GLN 198 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1xx5 h GLN 198 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1xx5 h GLN 198 CO 0.04 0.95 0.00 0.45 -0.67 0.00 0.00 178.83 179.60 1xx5 n SER 199 N -4.58 0.00 -3.58 1.46 2.88 -0.16 -5.12 113.62 104.52 1xx5 n SER 199 Ca -0.15 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.26 1xx5 n SER 199 Cb 0.51 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.91 1xx5 n SER 199 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1xx5 s SER 200 N 0.57 0.59 0.00 -3.46 1.04 -1.26 -4.65 113.70 106.53 1xx5 s SER 200 Ca 0.00 -1.35 0.20 0.00 0.48 0.00 0.00 55.95 55.28 1xx5 s SER 200 Cb 0.00 0.59 1.06 0.00 0.10 0.00 0.00 66.02 67.77 1xx5 s SER 200 CO 0.00 -1.18 1.63 0.00 0.98 0.00 0.00 173.24 174.67 1xx5 n GLN 202 N -1.23 0.12 -3.28 0.00 1.13 -1.26 -4.42 117.38 108.44 1xx5 n GLN 202 Ca 0.11 0.37 -0.42 0.00 -1.94 0.00 0.00 57.00 55.11 1xx5 n GLN 202 Cb 0.14 -1.73 -0.08 0.00 0.11 0.00 0.00 30.24 28.68 1xx5 n GLN 202 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1xx5 s ASP 203 N -3.75 6.24 0.36 1.08 3.68 -1.03 -4.96 116.67 118.29 1xx5 s ASP 203 Ca 0.05 -0.45 0.15 0.00 2.13 0.00 0.00 52.55 54.44 1xx5 s ASP 203 Cb 0.09 -2.24 1.05 0.00 -1.45 0.00 0.00 42.92 40.37 1xx5 s ASP 203 CO 0.33 -0.57 1.72 0.44 0.13 0.00 0.00 175.17 177.22 1xx5 h ASP 204 N 8.67 0.53 -0.70 -0.34 3.32 -1.90 0.67 116.42 126.67 1xx5 h ASP 204 Ca -0.27 0.13 0.01 0.00 0.02 0.00 0.00 57.03 56.92 1xx5 h ASP 204 Cb 1.11 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 1xx5 h ASP 204 CO 0.80 0.02 0.46 -0.25 -1.72 0.00 0.00 179.24 178.55 1xx5 h TRP 205 N 0.42 0.88 -0.29 4.55 7.01 -1.93 0.34 115.95 126.94 1xx5 h TRP 205 Ca 0.66 0.02 -0.14 0.00 2.11 0.00 0.00 58.89 61.54 1xx5 h TRP 205 Cb 1.54 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 28.30 1xx5 h TRP 205 CO -0.01 0.56 -0.37 0.82 -2.79 0.00 0.00 178.44 176.65 1xx5 h ILE 206 N 0.95 1.30 -0.41 2.65 2.04 -1.22 -1.50 117.51 121.31 1xx5 h ILE 206 Ca 0.26 -1.56 -0.00 0.00 1.00 0.00 0.00 64.86 64.55 1xx5 h ILE 206 Cb -0.11 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1xx5 h ILE 206 CO -0.06 0.50 0.24 0.50 0.00 0.00 0.00 178.15 179.34 1xx5 h LYS 207 N 0.51 0.57 -0.64 2.37 3.64 -0.94 0.31 116.57 122.38 1xx5 h LYS 207 Ca 0.03 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1xx5 h LYS 207 Cb 0.96 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.63 1xx5 h LYS 207 CO 0.09 0.43 0.41 0.77 -2.27 0.00 0.00 179.45 178.88 1xx5 h SER 208 N 0.54 0.70 0.78 4.20 0.02 -0.23 -2.78 113.55 116.78 1xx5 h SER 208 Ca 0.15 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1xx5 h SER 208 Cb 0.02 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1xx5 h SER 208 CO -0.03 0.49 -0.51 0.59 -1.14 0.00 0.00 176.83 176.23 1xx5 n ASN 209 N -4.67 0.58 -3.01 3.07 3.02 -0.57 -4.41 115.26 109.28 1xx5 n ASN 209 Ca 0.06 0.05 -0.19 0.00 -0.03 0.00 0.00 54.58 54.47 1xx5 n ASN 209 Cb 0.05 0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.30 1xx5 n ASN 209 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xx5 h PRO 211 N 2.97 0.53 -0.33 0.00 0.13 -1.70 -1.16 132.00 132.45 1xx5 h PRO 211 Ca 0.09 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 1xx5 h PRO 211 Cb 0.90 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 1xx5 h PRO 211 CO 0.59 0.43 0.17 0.00 -0.23 0.00 0.00 178.00 178.96 1xx5 h ALA 212 N 1.66 0.42 0.00 -0.56 0.00 -1.82 -0.16 119.26 118.80 1xx5 h ALA 212 Ca 0.14 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1xx5 h ALA 212 Cb 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1xx5 h ALA 212 CO -0.02 -0.04 -0.61 0.77 0.00 0.00 0.00 179.25 179.35 1xx5 h SER 213 N 0.40 0.00 0.51 0.00 0.02 -1.83 -2.30 113.55 110.34 1xx5 h SER 213 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1xx5 h SER 213 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1xx5 h SER 213 CO -0.02 0.61 -0.78 0.00 -1.14 0.00 0.00 176.83 175.50 1xx5 n PHE 215 N -1.82 0.00 -2.34 0.00 3.72 -0.09 -5.04 117.46 111.90 1xx5 n PHE 215 Ca 0.03 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.05 1xx5 n PHE 215 Cb 0.40 -0.04 -0.02 0.00 -0.94 0.00 0.00 39.48 38.87 1xx5 n PHE 215 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xx5 s ARG 217 N -2.23 0.79 -1.42 0.00 0.52 -1.26 -4.80 118.95 110.56 1xx5 s ARG 217 Ca 0.56 -0.01 -0.08 0.00 -0.52 0.00 0.00 55.73 55.68 1xx5 s ARG 217 Cb -0.30 -1.00 0.01 0.00 0.52 0.00 0.00 34.95 34.18 1xx5 s ARG 217 CO 0.38 -0.22 1.03 0.09 0.02 0.00 0.00 175.30 176.60 1xx5 n ASN 218 N 4.74 -6.35 -4.28 0.23 4.13 -1.26 -5.00 115.26 107.48 1xx5 n ASN 218 Ca -0.14 -0.47 -0.23 0.00 1.68 0.00 0.00 54.58 55.42 1xx5 n ASN 218 Cb 0.50 -5.03 -0.12 0.00 -1.54 0.00 0.00 39.78 33.59 1xx5 n ASN 218 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1xx5 s LYS 219 N -6.15 1.10 -0.34 3.52 -0.14 -1.26 -4.99 119.74 111.47 1xx5 s LYS 219 Ca 0.51 -1.15 -0.29 0.00 -1.36 0.00 0.00 55.97 53.68 1xx5 s LYS 219 Cb -0.23 -1.32 0.00 0.00 -1.68 0.00 0.00 37.83 34.60 1xx5 s LYS 219 CO 0.63 0.30 1.39 0.42 -0.76 0.00 0.00 175.35 177.34 1xx5 s ILE 220 N -1.22 3.98 -2.28 2.17 -1.09 -0.36 -4.69 121.20 117.72 1xx5 s ILE 220 Ca 0.06 1.06 0.18 0.00 -2.23 0.00 0.00 60.65 59.72 1xx5 s ILE 220 Cb -0.10 -4.12 0.14 0.00 -1.58 0.00 0.00 42.46 36.81 1xx5 s ILE 220 CO 0.04 -0.57 1.08 -0.38 -1.23 0.00 0.00 174.94 173.88