#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pn5 s ALA 60 N 0.00 3.59 0.00 3.17 0.00 -1.26 -4.75 121.76 122.51 1pn5 s ALA 60 Ca 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 51.96 49.60 1pn5 s ALA 60 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1pn5 s ALA 60 CO 0.00 -1.89 0.00 0.41 0.00 0.00 0.00 175.76 174.28 1pn5 n GLY 61 N 5.21 -1.68 0.00 0.00 0.00 -1.26 -5.10 105.19 102.37 1pn5 n GLY 61 Ca -0.13 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1pn5 n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pn5 n GLY 62 N -0.81 -1.80 3.80 -0.02 0.00 -1.26 -4.95 105.19 100.14 1pn5 n GLY 62 Ca 0.00 0.77 -0.28 0.00 0.00 0.00 0.00 46.02 46.52 1pn5 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn5 n ALA 63 N 0.00 -1.31 -3.06 4.61 0.00 -1.26 -4.84 120.51 114.64 1pn5 n ALA 63 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1pn5 n ALA 63 Cb 0.00 -4.80 0.00 0.00 0.00 0.00 0.00 19.45 14.65 1pn5 n ALA 63 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1pn5 n TRP 64 N -4.79 0.00 0.00 0.00 4.27 -1.26 -4.81 117.44 110.85 1pn5 n TRP 64 Ca 0.02 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.63 1pn5 n TRP 64 Cb 0.54 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.49 1pn5 n TRP 64 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1pn5 n GLY 65 N 1.42 1.49 0.35 -1.67 0.00 -1.26 -4.54 105.19 100.99 1pn5 n GLY 65 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 46.02 45.66 1pn5 n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1pn5 h ARG 66 N 0.00 -0.03 -0.62 1.61 3.08 -1.94 0.65 114.38 117.14 1pn5 h ARG 66 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1pn5 h ARG 66 Cb 0.00 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.00 1pn5 h ARG 66 CO 0.00 -0.02 0.29 1.37 -1.07 0.00 0.00 179.97 180.55 1pn5 h LEU 67 N -0.03 0.39 -1.10 3.04 -0.00 -1.93 -2.28 115.31 113.40 1pn5 h LEU 67 Ca 0.37 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 58.30 1pn5 h LEU 67 Cb 0.62 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 1pn5 h LEU 67 CO -0.91 0.24 0.00 0.00 -0.00 0.00 0.00 178.44 177.77 1pn5 n ALA 68 N -2.39 1.34 0.31 0.17 0.00 0.21 -1.62 120.51 118.54 1pn5 n ALA 68 Ca 0.08 0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.53 1pn5 n ALA 68 Cb 0.21 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 18.24 1pn5 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pn5 h TYR 70 N -1.15 0.90 0.00 0.00 -1.99 -1.38 -2.18 116.97 111.17 1pn5 h TYR 70 Ca -0.08 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.51 1pn5 h TYR 70 Cb 0.67 -0.25 0.00 0.00 2.00 0.00 0.00 36.73 39.16 1pn5 h TYR 70 CO 0.00 0.83 0.00 1.28 -0.00 0.00 0.00 178.16 180.27 1pn5 n LEU 71 N -4.21 0.00 -0.01 3.88 4.32 -0.64 -2.07 117.00 118.28 1pn5 n LEU 71 Ca 0.03 0.10 0.09 0.00 -0.02 0.00 0.00 56.01 56.20 1pn5 n LEU 71 Cb 0.31 -0.10 -0.16 0.00 -1.62 0.00 0.00 43.42 41.85 1pn5 n LEU 71 CO 0.42 -0.06 -0.77 1.21 -1.22 0.00 0.00 177.39 176.98 1pn5 n GLU 72 N -1.10 0.64 0.17 3.23 2.13 -0.82 -4.11 120.64 120.78 1pn5 n GLU 72 Ca 0.09 -0.18 -0.14 0.00 0.66 0.00 0.00 57.16 57.59 1pn5 n GLU 72 Cb 0.07 -1.49 -0.08 0.00 0.27 0.00 0.00 31.44 30.21 1pn5 n GLU 72 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1pn5 h PHE 73 N 0.00 -0.38 -3.92 4.31 3.57 -1.47 -3.43 116.94 115.62 1pn5 h PHE 73 Ca -0.03 -0.01 -0.48 0.00 3.53 0.00 0.00 57.97 60.97 1pn5 h PHE 73 Cb 1.02 0.12 0.01 0.00 2.79 0.00 0.00 35.95 39.89 1pn5 h PHE 73 CO 0.00 -0.11 0.23 -0.48 -2.23 0.00 0.00 178.31 175.73 1pn5 s LEU 74 N -9.75 3.76 0.52 0.59 0.05 -1.26 -5.10 118.68 107.49 1pn5 s LEU 74 Ca -0.15 1.34 0.00 0.00 0.05 0.00 0.00 54.13 55.37 1pn5 s LEU 74 Cb 0.03 -4.24 -0.00 0.00 -2.05 0.00 0.00 46.19 39.93 1pn5 s LEU 74 CO 0.60 -0.47 0.01 -0.54 -0.55 0.00 0.00 176.35 175.39 1pn5 s LYS 75 N -3.88 2.22 0.58 1.48 3.01 -1.26 -4.81 119.74 117.07 1pn5 s LYS 75 Ca 0.55 -2.44 0.35 0.00 -1.01 0.00 0.00 55.97 53.42 1pn5 s LYS 75 Cb -0.10 -1.47 1.40 0.00 -1.01 0.00 0.00 37.83 36.65 1pn5 s LYS 75 CO 0.30 -0.41 1.64 1.57 0.51 0.00 0.00 175.35 178.96 1pn5 h LYS 76 N 1.31 0.00 -0.48 1.68 -0.00 -1.93 0.77 116.57 117.92 1pn5 h LYS 76 Ca -0.44 0.00 0.04 0.00 -0.00 0.00 0.00 60.65 60.26 1pn5 h LYS 76 Cb 1.32 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 33.50 1pn5 h LYS 76 CO 0.72 0.00 -0.28 0.39 -0.00 0.00 0.00 179.45 180.28 1pn5 n GLU 77 N -3.76 -0.21 -0.01 0.07 4.71 -1.26 -2.79 120.64 117.39 1pn5 n GLU 77 Ca 0.25 0.80 -0.00 0.00 -0.01 0.00 0.00 57.16 58.20 1pn5 n GLU 77 Cb 1.36 -1.18 -0.01 0.00 -1.01 0.00 0.00 31.44 30.60 1pn5 n GLU 77 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1pn5 n GLU 78 N -4.41 2.17 0.13 3.49 -0.58 -0.04 -4.64 120.64 116.76 1pn5 n GLU 78 Ca 0.01 -0.01 0.05 0.00 -0.42 0.00 0.00 57.16 56.79 1pn5 n GLU 78 Cb 0.12 -1.05 0.50 0.00 -0.57 0.00 0.00 31.44 30.45 1pn5 n GLU 78 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1pn5 h LEU 79 N 0.00 0.22 0.19 -4.62 5.85 -1.04 -0.91 115.31 115.01 1pn5 h LEU 79 Ca -0.03 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1pn5 h LEU 79 Cb 0.68 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1pn5 h LEU 79 CO 0.00 0.22 -0.09 0.11 -0.34 0.00 0.00 178.44 178.34 1pn5 h LYS 80 N 0.26 -0.25 -0.36 1.25 1.79 -1.74 -2.66 116.57 114.86 1pn5 h LYS 80 Ca 0.07 0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.58 1pn5 h LYS 80 Cb 0.07 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.74 1pn5 h LYS 80 CO -0.01 -0.17 -0.21 0.39 -1.08 0.00 0.00 179.45 178.38 1pn5 n GLU 81 N -2.73 -0.16 0.03 3.15 1.02 -1.12 -1.08 120.64 119.77 1pn5 n GLU 81 Ca -0.03 0.62 -0.05 0.00 -0.02 0.00 0.00 57.16 57.68 1pn5 n GLU 81 Cb 0.10 -0.92 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 1pn5 n GLU 81 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1pn5 h PHE 82 N 0.00 -0.50 -0.14 -0.32 3.57 -1.13 0.22 116.94 118.65 1pn5 h PHE 82 Ca 0.06 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1pn5 h PHE 82 Cb 0.15 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1pn5 h PHE 82 CO -0.45 -0.19 -0.04 0.37 -2.23 0.00 0.00 178.31 175.77 1pn5 h GLN 83 N -0.24 0.21 0.31 1.11 -0.00 -1.06 -0.70 115.11 114.73 1pn5 h GLN 83 Ca -0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 1pn5 h GLN 83 Cb 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.69 1pn5 h GLN 83 CO -0.10 0.27 -0.15 1.25 0.00 0.00 0.00 178.83 180.11 1pn5 h LEU 84 N 0.20 -0.35 -1.88 -2.39 6.46 -0.72 -2.62 115.31 114.02 1pn5 h LEU 84 Ca 0.05 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.86 1pn5 h LEU 84 Cb 0.22 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1pn5 h LEU 84 CO 0.01 0.00 0.16 -0.07 -0.62 0.00 0.00 178.44 177.92 1pn5 h LEU 85 N -0.91 0.14 0.48 2.25 4.07 -0.57 -0.10 115.31 120.67 1pn5 h LEU 85 Ca -0.04 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 1pn5 h LEU 85 Cb 0.32 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.03 1pn5 h LEU 85 CO 0.07 0.09 -0.23 0.25 -1.08 0.00 0.00 178.44 177.54 1pn5 h LEU 86 N 0.16 -0.55 -0.95 1.67 6.46 -1.22 -0.14 115.31 120.74 1pn5 h LEU 86 Ca 0.10 -0.07 0.05 0.00 -0.12 0.00 0.00 57.88 57.84 1pn5 h LEU 86 Cb 0.21 0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.23 1pn5 h LEU 86 CO -0.02 -0.22 0.61 0.00 -0.62 0.00 0.00 178.44 178.20 1pn5 h ALA 87 N -0.53 1.28 0.50 1.25 0.00 -1.00 -1.76 119.26 119.01 1pn5 h ALA 87 Ca -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1pn5 h ALA 87 Cb 0.59 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1pn5 h ALA 87 CO 0.11 0.44 -0.45 -0.97 0.00 0.00 0.00 179.25 178.38 1pn5 h ASN 88 N 1.15 -1.23 -0.60 0.00 -1.24 -1.04 -0.68 115.58 111.94 1pn5 h ASN 88 Ca 0.39 0.10 0.11 0.00 0.71 0.00 0.00 56.30 57.61 1pn5 h ASN 88 Cb 0.08 0.40 -0.09 0.00 0.73 0.00 0.00 38.32 39.44 1pn5 h ASN 88 CO -0.15 -0.63 0.13 0.50 -1.29 0.00 0.00 177.43 175.99 1pn5 h LYS 89 N -0.95 0.25 0.00 6.67 1.63 -0.22 -2.37 116.57 121.57 1pn5 h LYS 89 Ca -0.06 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1pn5 h LYS 89 Cb 0.82 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1pn5 h LYS 89 CO -0.04 0.17 0.00 0.00 -3.45 0.00 0.00 179.45 176.13 1pn5 n ALA 90 N -2.60 -0.32 -3.15 5.00 0.00 -0.74 -4.96 120.51 113.75 1pn5 n ALA 90 Ca 0.09 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.58 1pn5 n ALA 90 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.76 1pn5 n ALA 90 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1pn5 s HIS 91 N -2.25 -0.38 0.00 0.00 -3.43 -0.29 -5.11 115.29 103.84 1pn5 s HIS 91 Ca 0.00 0.33 0.00 0.00 -0.80 0.00 0.00 55.06 54.59 1pn5 s HIS 91 Cb 0.00 0.11 0.00 0.00 -1.43 0.00 0.00 32.58 31.26 1pn5 s HIS 91 CO 0.00 -0.21 0.00 0.45 -2.00 0.00 0.00 174.74 172.98 1pn5 n SER 92 N 5.34 0.00 -3.57 7.38 2.88 -1.07 -4.69 113.62 119.90 1pn5 n SER 92 Ca -0.01 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.36 1pn5 n SER 92 Cb 0.56 0.06 -0.06 0.00 -0.75 0.00 0.00 64.21 64.01 1pn5 n SER 92 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1pn5 s ARG 93 N -0.31 0.97 -0.55 -1.46 3.52 -1.26 -5.02 118.95 114.84 1pn5 s ARG 93 Ca 0.00 0.54 -0.07 0.00 -0.13 0.00 0.00 55.73 56.07 1pn5 s ARG 93 Cb 0.00 0.46 -0.20 0.00 -1.56 0.00 0.00 34.95 33.65 1pn5 s ARG 93 CO 0.00 -0.24 3.38 -1.13 -0.81 0.00 0.00 175.30 176.50 1pn5 n SER 94 N 1.61 6.44 -0.23 -2.12 3.41 -1.26 -4.70 113.62 116.76 1pn5 n SER 94 Ca -0.17 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 55.90 1pn5 n SER 94 Cb 0.56 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 1pn5 n SER 94 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1pn5 n SER 95 N 2.78 0.00 -4.41 4.04 7.64 -1.26 -5.16 113.62 117.24 1pn5 n SER 95 Ca 0.55 -0.23 -0.30 0.00 1.01 0.00 0.00 58.87 59.90 1pn5 n SER 95 Cb 0.68 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.75 1pn5 n SER 95 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1pn5 s SER 96 N 1.23 3.49 0.00 6.43 1.04 -1.26 -5.04 113.70 119.59 1pn5 s SER 96 Ca 0.00 -0.56 0.18 0.00 0.48 0.00 0.00 55.95 56.05 1pn5 s SER 96 Cb 0.00 -0.42 0.29 0.00 0.10 0.00 0.00 66.02 65.99 1pn5 s SER 96 CO 0.00 0.23 1.10 0.61 0.98 0.00 0.00 173.24 176.16 1pn5 n GLY 97 N 1.43 0.85 2.71 7.32 0.00 -1.26 -5.09 105.19 111.15 1pn5 n GLY 97 Ca -0.17 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.25 1pn5 n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pn5 n GLU 98 N 0.34 -3.75 -1.72 1.61 4.71 -1.26 -4.90 120.64 115.66 1pn5 n GLU 98 Ca -0.01 2.94 -0.43 0.00 -0.01 0.00 0.00 57.16 59.65 1pn5 n GLU 98 Cb 1.00 -4.86 -0.02 0.00 -1.01 0.00 0.00 31.44 26.55 1pn5 n GLU 98 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1pn5 n THR 99 N 1.25 0.77 -1.80 2.62 -2.24 -1.26 -4.93 114.28 108.70 1pn5 n THR 99 Ca -0.19 -0.19 -0.29 0.00 -2.27 0.00 0.00 64.05 61.11 1pn5 n THR 99 Cb 0.31 -1.82 0.13 0.00 -2.10 0.00 0.00 70.33 66.85 1pn5 n THR 99 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1pn5 s PRO 100 N -0.12 1.33 -1.29 -0.78 0.04 -1.26 -4.91 135.00 128.00 1pn5 s PRO 100 Ca 0.68 0.01 -0.13 0.00 0.04 0.00 0.00 61.00 61.60 1pn5 s PRO 100 Cb -0.55 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 1pn5 s PRO 100 CO 0.45 -2.02 2.38 0.00 0.04 0.00 0.00 177.00 177.86 1pn5 n ALA 101 N -3.58 5.63 -2.07 8.56 0.00 -1.26 -4.91 120.51 122.88 1pn5 n ALA 101 Ca 0.10 -3.32 -0.29 0.00 0.00 0.00 0.00 53.44 49.92 1pn5 n ALA 101 Cb 0.60 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.65 1pn5 n ALA 101 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1pn5 s GLN 102 N 3.23 3.60 0.00 0.00 -1.52 -1.26 -5.13 119.66 118.58 1pn5 s GLN 102 Ca 0.55 0.49 0.00 0.00 -1.95 0.00 0.00 55.36 54.45 1pn5 s GLN 102 Cb 0.15 -2.23 0.00 0.00 -0.22 0.00 0.00 33.01 30.70 1pn5 s GLN 102 CO -0.03 -0.36 0.00 -0.35 -0.25 0.00 0.00 175.29 174.30 1pn5 n PRO 103 N -2.39 0.04 -3.79 2.91 -0.04 -1.26 -4.72 135.00 125.75 1pn5 n PRO 103 Ca 0.03 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.19 1pn5 n PRO 103 Cb 0.54 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.03 1pn5 n PRO 103 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1pn5 n GLU 104 N -0.88 -1.89 -1.24 0.54 2.13 -1.26 -4.95 120.64 113.08 1pn5 n GLU 104 Ca 0.00 0.42 -0.01 0.00 0.66 0.00 0.00 57.16 58.24 1pn5 n GLU 104 Cb 0.00 -4.17 0.00 0.00 0.27 0.00 0.00 31.44 27.54 1pn5 n GLU 104 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1pn5 n LYS 105 N -4.31 0.08 0.00 5.31 -0.00 -1.26 -4.43 118.16 113.56 1pn5 n LYS 105 Ca -0.16 -0.17 0.00 0.00 -0.00 0.00 0.00 58.31 57.98 1pn5 n LYS 105 Cb 0.62 0.21 0.00 0.00 -0.00 0.00 0.00 35.03 35.86 1pn5 n LYS 105 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1pn5 n THR 106 N -0.04 0.00 -4.16 0.58 5.66 -1.26 -4.60 114.28 110.46 1pn5 n THR 106 Ca -0.01 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.84 1pn5 n THR 106 Cb 0.04 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 68.70 1pn5 n THR 106 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1pn5 s SER 107 N -1.90 0.93 0.12 1.09 0.01 -1.26 -4.87 113.70 107.82 1pn5 s SER 107 Ca 0.00 -0.36 -0.20 0.00 1.31 0.00 0.00 55.95 56.70 1pn5 s SER 107 Cb 0.00 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.16 1pn5 s SER 107 CO 0.00 -0.06 1.72 1.23 0.41 0.00 0.00 173.24 176.54 1pn5 h GLY 108 N 5.14 0.16 2.00 3.44 0.00 -1.87 -0.40 103.07 111.54 1pn5 h GLY 108 Ca -0.33 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1pn5 h GLY 108 CO 0.45 -0.04 -0.04 0.00 0.00 0.00 0.00 176.54 176.91 1pn5 h MET 109 N 0.04 0.00 0.00 4.80 -0.00 -1.91 0.09 114.93 117.95 1pn5 h MET 109 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.78 1pn5 h MET 109 Cb 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.71 1pn5 h MET 109 CO -0.16 0.04 -0.07 0.93 -0.00 0.00 0.00 176.91 177.65 1pn5 h GLU 110 N 0.00 0.00 -0.58 -0.10 4.39 -1.56 -3.20 114.58 113.53 1pn5 h GLU 110 Ca -0.00 0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.79 1pn5 h GLU 110 Cb 0.43 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 1pn5 h GLU 110 CO 0.00 0.59 0.39 0.28 -1.16 0.00 0.00 179.01 179.11 1pn5 h VAL 111 N -1.00 0.90 0.24 3.13 2.07 -1.05 -1.48 116.25 119.05 1pn5 h VAL 111 Ca -0.01 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1pn5 h VAL 111 Cb 0.62 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1pn5 h VAL 111 CO -0.01 0.07 -0.36 0.00 0.02 0.00 0.00 177.57 177.29 1pn5 h ALA 112 N 1.71 -0.71 -0.57 1.67 0.00 -1.07 0.15 119.26 120.44 1pn5 h ALA 112 Ca 0.27 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1pn5 h ALA 112 Cb 0.53 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1pn5 h ALA 112 CO -0.07 -0.95 0.38 1.03 0.00 0.00 0.00 179.25 179.64 1pn5 h SER 113 N -0.67 0.64 -0.11 0.00 0.87 -1.30 -1.71 113.55 111.27 1pn5 h SER 113 Ca 0.00 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.44 1pn5 h SER 113 Cb 0.65 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1pn5 h SER 113 CO -0.14 0.46 -0.26 0.22 -0.53 0.00 0.00 176.83 176.58 1pn5 h TYR 114 N 0.75 0.63 -0.23 2.24 5.03 -0.73 -1.98 116.97 122.68 1pn5 h TYR 114 Ca 0.21 -0.14 -0.07 0.00 2.58 0.00 0.00 58.73 61.32 1pn5 h TYR 114 Cb -0.05 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.07 1pn5 h TYR 114 CO -0.00 0.76 -0.13 1.25 -1.32 0.00 0.00 178.16 178.72 1pn5 h LEU 115 N 0.49 0.50 -1.61 2.82 5.85 0.21 0.67 115.31 124.24 1pn5 h LEU 115 Ca 0.07 -0.42 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 1pn5 h LEU 115 Cb 0.70 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 1pn5 h LEU 115 CO 0.05 0.82 -0.13 0.58 -0.34 0.00 0.00 178.44 179.42 1pn5 h VAL 116 N 0.19 0.42 0.01 1.05 2.07 -1.43 0.09 116.25 118.65 1pn5 h VAL 116 Ca 0.05 -0.71 -0.21 0.00 0.82 0.00 0.00 66.70 66.64 1pn5 h VAL 116 Cb 0.64 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 1pn5 h VAL 116 CO 0.04 0.13 -1.00 0.00 0.02 0.00 0.00 177.57 176.75 1pn5 h ALA 117 N 1.87 0.36 0.03 1.67 0.00 -0.73 -2.53 119.26 119.92 1pn5 h ALA 117 Ca -0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 54.91 53.95 1pn5 h ALA 117 Cb 0.50 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1pn5 h ALA 117 CO 0.02 1.22 -0.24 1.96 0.00 0.00 0.00 179.25 182.20 1pn5 h GLN 118 N 0.00 0.11 0.00 0.00 1.08 -0.39 -3.44 115.11 112.47 1pn5 h GLN 118 Ca -0.02 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1pn5 h GLN 118 Cb 1.76 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 29.24 1pn5 h GLN 118 CO 0.13 1.02 -0.59 0.66 -0.95 0.00 0.00 178.83 179.10 1pn5 n TYR 119 N -4.48 0.00 0.00 2.96 4.02 -0.03 -5.05 117.16 114.58 1pn5 n TYR 119 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 1pn5 n TYR 119 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.88 1pn5 n TYR 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pn5 n GLY 120 N 2.46 0.23 0.00 2.72 0.00 -0.95 -4.62 105.19 105.02 1pn5 n GLY 120 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.74 1pn5 n GLY 120 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pn5 n GLU 121 N 0.00 1.40 0.00 1.61 -0.58 -1.26 -3.66 120.64 118.15 1pn5 n GLU 121 Ca 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1pn5 n GLU 121 Cb 0.00 -1.03 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 1pn5 n GLU 121 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1pn5 n GLN 122 N -1.72 0.00 0.29 3.49 3.00 -1.26 -4.08 117.38 117.09 1pn5 n GLN 122 Ca -0.01 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.12 1pn5 n GLN 122 Cb 0.21 -0.14 0.86 0.00 0.00 0.00 0.00 30.24 31.18 1pn5 n GLN 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1pn5 h ARG 123 N 0.00 0.00 0.00 -1.09 -0.00 -1.90 0.16 114.38 111.56 1pn5 h ARG 123 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1pn5 h ARG 123 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1pn5 h ARG 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.97 179.97 1pn5 h ALA 124 N 1.99 1.00 0.00 0.04 0.00 -1.78 -1.87 119.26 118.65 1pn5 h ALA 124 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1pn5 h ALA 124 Cb 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1pn5 h ALA 124 CO -0.00 0.00 -0.93 1.87 0.00 0.00 0.00 179.25 180.19 1pn5 n TRP 125 N -2.92 0.00 -0.39 0.00 -0.00 -0.25 -4.44 117.44 109.44 1pn5 n TRP 125 Ca -0.02 0.00 0.32 0.00 -0.00 0.00 0.00 57.50 57.79 1pn5 n TRP 125 Cb 0.08 -0.08 0.62 0.00 -0.00 0.00 0.00 31.31 31.93 1pn5 n TRP 125 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 1pn5 h ASP 126 N -0.08 0.27 0.13 5.87 3.32 -0.78 0.32 116.42 125.47 1pn5 h ASP 126 Ca -0.05 0.08 -0.36 0.00 0.02 0.00 0.00 57.03 56.72 1pn5 h ASP 126 Cb 0.86 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 1pn5 h ASP 126 CO -0.03 -0.03 -2.06 -0.11 -1.72 0.00 0.00 179.24 175.29 1pn5 n LEU 127 N -4.54 2.51 -0.22 1.55 7.94 -0.70 -4.18 117.00 119.35 1pn5 n LEU 127 Ca 0.31 0.17 0.02 0.00 -1.11 0.00 0.00 56.01 55.39 1pn5 n LEU 127 Cb 1.20 -0.96 0.14 0.00 0.53 0.00 0.00 43.42 44.33 1pn5 n LEU 127 CO 0.27 0.83 0.98 0.00 -1.11 0.00 0.00 177.39 178.36 1pn5 h ALA 128 N 0.15 0.87 -0.27 1.96 0.00 -1.12 -2.09 119.26 118.76 1pn5 h ALA 128 Ca -0.44 0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.60 1pn5 h ALA 128 Cb 2.02 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.87 1pn5 h ALA 128 CO 0.06 -0.22 0.10 -0.07 0.00 0.00 0.00 179.25 179.11 1pn5 h LEU 129 N 0.39 0.11 -1.55 0.00 4.07 -0.64 0.79 115.31 118.48 1pn5 h LEU 129 Ca 0.35 0.03 0.12 0.00 0.08 0.00 0.00 57.88 58.45 1pn5 h LEU 129 Cb 0.49 0.01 -0.05 0.00 1.08 0.00 0.00 40.66 42.20 1pn5 h LEU 129 CO -0.36 0.10 0.47 -0.74 -1.08 0.00 0.00 178.44 176.82 1pn5 h HIS 130 N 0.22 0.53 0.00 1.13 -0.00 -1.63 -2.21 115.15 113.19 1pn5 h HIS 130 Ca 0.12 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.44 1pn5 h HIS 130 Cb 0.08 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 1pn5 h HIS 130 CO -0.13 0.24 -0.30 1.15 -0.00 0.00 0.00 177.93 178.88 1pn5 h THR 131 N 0.49 1.02 0.00 6.26 2.02 -0.16 0.72 112.91 123.25 1pn5 h THR 131 Ca 0.33 -1.12 -0.07 0.00 0.77 0.00 0.00 66.41 66.32 1pn5 h THR 131 Cb 0.63 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1pn5 h THR 131 CO -0.11 0.30 -0.34 -0.50 0.37 0.00 0.00 175.52 175.24 1pn5 h TRP 132 N 0.00 0.00 -0.22 3.16 6.55 -1.18 -2.04 115.95 122.21 1pn5 h TRP 132 Ca -0.00 0.00 -0.14 0.00 0.95 0.00 0.00 58.89 59.70 1pn5 h TRP 132 Cb 0.61 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.90 1pn5 h TRP 132 CO 0.00 0.34 -0.43 1.49 -1.05 0.00 0.00 178.44 178.79 1pn5 h GLU 133 N 0.00 0.55 -0.65 0.49 4.81 -0.89 -0.58 114.58 118.31 1pn5 h GLU 133 Ca -0.00 -0.29 0.03 0.00 -0.13 0.00 0.00 59.36 58.96 1pn5 h GLU 133 Cb 0.71 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.06 1pn5 h GLU 133 CO 0.04 0.88 0.40 1.96 -0.73 0.00 0.00 179.01 181.57 1pn5 h GLN 134 N 0.45 0.77 0.00 1.92 4.20 -0.77 -2.55 115.11 119.12 1pn5 h GLN 134 Ca 0.03 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1pn5 h GLN 134 Cb 0.94 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1pn5 h GLN 134 CO 0.08 0.51 0.00 -1.33 -0.67 0.00 0.00 178.83 177.43 1pn5 n MET 135 N -4.70 0.06 -0.57 1.46 2.81 -0.82 -4.92 117.12 110.44 1pn5 n MET 135 Ca 0.06 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.14 1pn5 n MET 135 Cb 0.08 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 31.00 1pn5 n MET 135 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pn5 n GLY 136 N 0.68 0.70 2.76 3.03 0.00 -0.78 -5.02 105.19 106.55 1pn5 n GLY 136 Ca 0.05 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 1pn5 n GLY 136 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1pn5 n LEU 137 N 0.00 4.47 0.32 0.99 -0.00 -0.29 -4.89 117.00 117.59 1pn5 n LEU 137 Ca 0.00 -5.59 0.17 0.00 -0.00 0.00 0.00 56.01 50.59 1pn5 n LEU 137 Cb 0.00 -0.64 0.92 0.00 -0.00 0.00 0.00 43.42 43.70 1pn5 n LEU 137 CO 0.00 2.23 1.12 -0.09 -0.00 0.00 0.00 177.39 180.65 1pn5 h ARG 138 N 3.48 0.00 -0.91 1.47 2.43 -1.91 -1.23 114.38 117.70 1pn5 h ARG 138 Ca 0.17 0.00 0.23 0.00 -0.81 0.00 0.00 59.98 59.58 1pn5 h ARG 138 Cb 0.54 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 29.93 1pn5 h ARG 138 CO 0.86 0.00 0.03 0.77 -1.51 0.00 0.00 179.97 180.11 1pn5 h SER 139 N 0.00 -0.42 -0.22 -3.80 0.02 -1.94 0.22 113.55 107.42 1pn5 h SER 139 Ca 0.00 0.25 -0.18 0.00 -0.84 0.00 0.00 61.79 61.02 1pn5 h SER 139 Cb 0.42 0.43 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1pn5 h SER 139 CO 0.00 -0.28 -0.56 -0.07 -1.14 0.00 0.00 176.83 174.78 1pn5 h LEU 140 N 0.06 0.87 -0.81 5.07 3.38 -1.62 -0.62 115.31 121.64 1pn5 h LEU 140 Ca 0.53 -0.57 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1pn5 h LEU 140 Cb 1.04 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 1pn5 h LEU 140 CO -0.83 1.28 0.51 0.00 0.09 0.00 0.00 178.44 179.49 1pn5 n ALA 142 N -2.34 -0.41 -0.22 0.00 0.00 0.68 -2.86 120.51 115.36 1pn5 n ALA 142 Ca 0.11 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.69 1pn5 n ALA 142 Cb 0.13 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.04 1pn5 n ALA 142 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1pn5 h GLN 143 N 0.00 0.51 -0.06 0.00 4.20 -1.10 0.24 115.11 118.90 1pn5 h GLN 143 Ca 0.00 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.70 1pn5 h GLN 143 Cb 0.00 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 1pn5 h GLN 143 CO 0.00 0.33 0.04 0.00 -0.67 0.00 0.00 178.83 178.54 1pn5 h ALA 144 N 1.62 2.05 0.00 3.87 0.00 -1.21 -2.87 119.26 122.72 1pn5 h ALA 144 Ca 0.42 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.16 1pn5 h ALA 144 Cb 0.86 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1pn5 h ALA 144 CO -0.17 -0.07 -2.16 1.04 0.00 0.00 0.00 179.25 177.90 1pn5 n GLN 145 N -4.51 0.71 0.00 0.00 6.02 0.62 -3.06 117.38 117.15 1pn5 n GLN 145 Ca -0.02 -0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 1pn5 n GLN 145 Cb 0.14 -1.51 0.03 0.00 1.02 0.00 0.00 30.24 29.93 1pn5 n GLN 145 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1pn5 n GLU 146 N -2.47 0.96 0.00 -1.09 4.71 0.13 -4.42 120.64 118.45 1pn5 n GLU 146 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.98 1pn5 n GLU 146 Cb 0.84 -1.02 0.00 0.00 -1.01 0.00 0.00 31.44 30.25 1pn5 n GLU 146 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pn5 n GLY 147 N 0.47 0.20 5.27 0.62 0.00 -1.23 -5.00 105.19 105.52 1pn5 n GLY 147 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1pn5 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn5 n ALA 148 N 0.00 0.00 0.00 4.61 0.00 -1.13 -4.70 120.51 119.29 1pn5 n ALA 148 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pn5 n ALA 148 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pn5 n ALA 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pn5 n GLY 149 N 0.00 1.05 0.00 0.00 0.00 -1.26 -4.79 105.19 100.19 1pn5 n GLY 149 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1pn5 n GLY 149 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1pn5 n HIS 150 N -0.30 0.00 -1.84 1.61 -0.00 -1.26 -5.00 115.22 108.43 1pn5 n HIS 150 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1pn5 n HIS 150 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1pn5 n HIS 150 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79