#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pn5 n ALA 60 N 0.00 -0.38 0.00 3.04 0.00 -1.26 -4.92 120.51 116.98 1pn5 n ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pn5 n ALA 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pn5 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pn5 n GLY 61 N 1.87 -0.01 2.34 0.00 0.00 -1.26 -4.70 105.19 103.43 1pn5 n GLY 61 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.97 0.35 0.00 -0.02 0.00 -1.26 -4.83 105.19 98.45 1pn5 n GLY 62 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 1.00 0.67 -0.85 4.61 0.00 -1.26 -4.96 120.51 119.73 1pn5 n ALA 63 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1pn5 n ALA 63 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.06 -0.37 0.00 0.00 4.27 -1.26 -4.69 117.44 115.33 1pn5 n TRP 64 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1pn5 n TRP 64 Cb 0.14 0.08 0.00 0.00 -1.36 0.00 0.00 31.31 30.17 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 -1.01 2.31 0.32 -1.67 0.00 -1.26 -0.94 105.19 102.94 1pn5 n GLY 65 Ca 0.00 0.39 0.16 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 -0.41 1.61 -0.00 -1.99 -2.09 114.38 111.50 1pn5 h ARG 66 Ca 0.00 0.00 0.08 0.00 -0.50 0.00 0.00 59.98 59.56 1pn5 h ARG 66 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 29.97 29.89 1pn5 h ARG 66 CO 0.00 0.00 -0.15 1.25 0.00 0.00 0.00 179.97 181.07 1pn5 h LEU 67 N 0.00 -0.54 -2.25 3.04 6.46 -1.42 -0.36 115.31 120.24 1pn5 h LEU 67 Ca 0.05 0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 1pn5 h LEU 67 Cb 0.27 0.32 -0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1pn5 h LEU 67 CO -0.00 -0.19 -0.04 0.00 -0.62 0.00 0.00 178.44 177.59 1pn5 h ALA 68 N 1.27 1.11 -0.25 1.25 0.00 -1.57 -2.31 119.26 118.77 1pn5 h ALA 68 Ca 0.20 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1pn5 h ALA 68 Cb 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1pn5 h ALA 68 CO -0.46 0.04 -0.35 0.00 0.00 0.00 0.00 179.25 178.49 1pn5 h TYR 70 N 0.46 0.70 0.00 0.00 -1.99 -1.36 -2.97 116.97 111.80 1pn5 h TYR 70 Ca 0.05 -0.11 0.00 0.00 2.00 0.00 0.00 58.73 60.67 1pn5 h TYR 70 Cb 0.82 -0.19 0.00 0.00 2.00 0.00 0.00 36.73 39.37 1pn5 h TYR 70 CO 0.03 0.71 0.00 1.28 -0.00 0.00 0.00 178.16 180.18 1pn5 n LEU 71 N -4.51 0.00 -0.11 3.88 4.77 -0.99 -2.28 117.00 117.77 1pn5 n LEU 71 Ca -0.01 0.13 0.13 0.00 -0.03 0.00 0.00 56.01 56.23 1pn5 n LEU 71 Cb 0.25 -0.13 0.35 0.00 -2.33 0.00 0.00 43.42 41.56 1pn5 n LEU 71 CO 0.39 -0.05 0.59 -0.62 -1.33 0.00 0.00 177.39 176.38 1pn5 n GLU 72 N -1.13 0.39 -0.01 3.23 -0.58 -0.42 -4.36 120.64 117.76 1pn5 n GLU 72 Ca 0.12 -0.21 -0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1pn5 n GLU 72 Cb 0.11 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.48 1pn5 n GLU 72 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1pn5 h PHE 73 N 0.52 0.00 -3.87 -0.32 -5.15 -1.58 -3.48 116.94 103.06 1pn5 h PHE 73 Ca 0.00 0.00 -0.47 0.00 -0.20 0.00 0.00 57.97 57.30 1pn5 h PHE 73 Cb 0.49 0.00 0.17 0.00 0.22 0.00 0.00 35.95 36.83 1pn5 h PHE 73 CO 0.00 0.00 0.18 -0.48 -2.00 0.00 0.00 178.31 176.01 1pn5 s LEU 74 N -4.57 1.89 0.00 2.10 2.34 -1.26 -5.10 118.68 114.08 1pn5 s LEU 74 Ca -0.01 1.56 0.00 0.00 0.06 0.00 0.00 54.13 55.75 1pn5 s LEU 74 Cb 0.00 -3.81 0.00 0.00 -0.56 0.00 0.00 46.19 41.82 1pn5 s LEU 74 CO 0.01 -3.18 0.00 0.29 -1.06 0.00 0.00 176.35 172.41 1pn5 n LYS 75 N -4.24 0.97 -0.12 1.48 4.76 -1.26 -4.89 118.16 114.85 1pn5 n LYS 75 Ca 0.06 0.00 0.26 0.00 -2.87 0.00 0.00 58.31 55.77 1pn5 n LYS 75 Cb 0.55 0.00 0.72 0.00 -1.84 0.00 0.00 35.03 34.46 1pn5 n LYS 75 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1pn5 h LYS 76 N 0.00 0.00 -0.96 1.97 6.56 -1.97 0.16 116.57 122.33 1pn5 h LYS 76 Ca 0.00 0.00 0.30 0.00 -1.06 0.00 0.00 60.65 59.89 1pn5 h LYS 76 Cb 0.00 0.00 -0.16 0.00 -0.57 0.00 0.00 32.23 31.50 1pn5 h LYS 76 CO 0.00 0.00 0.30 0.93 -2.06 0.00 0.00 179.45 178.62 1pn5 h GLU 77 N 0.00 0.11 0.00 3.15 5.08 -2.00 -1.11 114.58 119.80 1pn5 h GLU 77 Ca 0.37 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1pn5 h GLU 77 Cb 1.56 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1pn5 h GLU 77 CO -0.00 0.07 -0.71 0.39 -1.00 0.00 0.00 179.01 177.76 1pn5 n GLU 78 N -5.29 2.72 -0.28 2.33 4.71 -0.63 -4.68 120.64 119.53 1pn5 n GLU 78 Ca 0.28 0.00 0.23 0.00 -0.01 0.00 0.00 57.16 57.65 1pn5 n GLU 78 Cb 0.90 -0.85 0.55 0.00 -1.01 0.00 0.00 31.44 31.03 1pn5 n GLU 78 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1pn5 h LEU 79 N 0.00 0.36 0.23 -4.62 5.85 -0.73 0.13 115.31 116.53 1pn5 h LEU 79 Ca 0.00 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1pn5 h LEU 79 Cb 0.64 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1pn5 h LEU 79 CO 0.00 0.11 -0.11 0.50 -0.34 0.00 0.00 178.44 178.60 1pn5 h LYS 80 N 0.33 -0.30 -0.65 1.25 1.63 -1.41 -2.28 116.57 115.15 1pn5 h LYS 80 Ca 0.52 0.02 0.07 0.00 -0.85 0.00 0.00 60.65 60.41 1pn5 h LYS 80 Cb 1.44 0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 33.08 1pn5 h LYS 80 CO -0.20 -0.12 0.34 0.93 -3.45 0.00 0.00 179.45 176.96 1pn5 h GLU 81 N -0.42 0.60 -0.00 1.90 4.39 -1.28 -1.99 114.58 117.79 1pn5 h GLU 81 Ca -0.03 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.65 1pn5 h GLU 81 Cb 0.32 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 1pn5 h GLU 81 CO 0.05 0.40 -0.47 0.35 -1.16 0.00 0.00 179.01 178.19 1pn5 h PHE 82 N 0.62 -1.37 0.00 4.33 3.04 -0.61 0.51 116.94 123.46 1pn5 h PHE 82 Ca 0.30 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 62.25 1pn5 h PHE 82 Cb 0.22 0.60 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 1pn5 h PHE 82 CO -0.09 -0.50 -0.18 0.37 -2.02 0.00 0.00 178.31 175.88 1pn5 h GLN 83 N -0.58 0.00 0.00 1.11 4.15 -1.27 -1.34 115.11 117.18 1pn5 h GLN 83 Ca 0.01 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 1pn5 h GLN 83 Cb 0.62 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.31 1pn5 h GLN 83 CO -0.31 0.18 -0.05 1.37 -1.93 0.00 0.00 178.83 178.10 1pn5 h LEU 84 N 0.00 0.00 -2.46 -2.39 8.10 -0.48 -3.00 115.31 115.07 1pn5 h LEU 84 Ca -0.00 -0.25 0.02 0.00 0.11 0.00 0.00 57.88 57.76 1pn5 h LEU 84 Cb 0.44 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.66 1pn5 h LEU 84 CO 0.02 0.65 0.16 -0.07 -4.11 0.00 0.00 178.44 175.09 1pn5 h LEU 85 N -1.00 0.00 0.12 0.17 3.38 -0.05 0.32 115.31 118.25 1pn5 h LEU 85 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1pn5 h LEU 85 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1pn5 h LEU 85 CO -0.00 0.00 -0.06 0.25 0.09 0.00 0.00 178.44 178.72 1pn5 h LEU 86 N 0.00 -0.14 -0.40 1.67 7.12 -1.32 -2.96 115.31 119.28 1pn5 h LEU 86 Ca 0.02 0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.09 1pn5 h LEU 86 Cb 0.34 0.04 -0.05 0.00 -0.53 0.00 0.00 40.66 40.46 1pn5 h LEU 86 CO -0.00 -0.07 0.13 0.00 -0.13 0.00 0.00 178.44 178.37 1pn5 h ALA 87 N -1.86 0.47 0.00 1.25 0.00 -1.23 0.36 119.26 118.24 1pn5 h ALA 87 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pn5 h ALA 87 Cb 0.12 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1pn5 h ALA 87 CO 0.03 -0.26 0.00 -0.97 0.00 0.00 0.00 179.25 178.05 1pn5 h ASN 88 N 0.29 0.00 0.00 0.00 -1.24 -1.10 -1.54 115.58 111.98 1pn5 h ASN 88 Ca 0.19 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.15 1pn5 h ASN 88 Cb 0.18 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 1pn5 h ASN 88 CO -0.20 0.00 -0.29 0.50 -1.29 0.00 0.00 177.43 176.15 1pn5 h LYS 89 N 0.00 0.00 0.03 6.67 1.63 -1.21 -3.43 116.57 120.26 1pn5 h LYS 89 Ca 0.00 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1pn5 h LYS 89 Cb 0.33 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.92 1pn5 h LYS 89 CO 0.00 0.59 -0.48 0.00 -3.45 0.00 0.00 179.45 176.11 1pn5 h ALA 90 N -0.50 -0.92 -1.35 5.00 0.00 -0.02 -3.46 119.26 118.02 1pn5 h ALA 90 Ca -0.06 -0.08 0.18 0.00 0.00 0.00 0.00 54.91 54.94 1pn5 h ALA 90 Cb 0.71 0.89 -0.24 0.00 0.00 0.00 0.00 17.79 19.15 1pn5 h ALA 90 CO -0.04 -1.05 0.76 -3.38 0.00 0.00 0.00 179.25 175.54 1pn5 s HIS 91 N -5.43 -0.19 0.00 0.00 -3.43 -0.67 -5.09 115.29 100.49 1pn5 s HIS 91 Ca -0.14 0.29 0.00 0.00 -0.80 0.00 0.00 55.06 54.40 1pn5 s HIS 91 Cb 0.06 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.69 1pn5 s HIS 91 CO 0.54 -0.19 0.00 0.45 -2.00 0.00 0.00 174.74 173.53 1pn5 n SER 92 N 0.48 -4.18 0.00 7.38 2.88 -1.26 -4.51 113.62 114.41 1pn5 n SER 92 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1pn5 n SER 92 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1pn5 n SER 92 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1pn5 n ARG 93 N -0.85 0.00 -3.01 -1.46 3.00 -1.26 -4.36 116.66 108.72 1pn5 n ARG 93 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.85 57.78 1pn5 n ARG 93 Cb 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 32.46 32.02 1pn5 n ARG 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1pn5 n SER 94 N -2.66 -7.18 -3.44 0.55 2.88 -1.26 -4.27 113.62 98.23 1pn5 n SER 94 Ca 0.00 0.75 -0.17 0.00 -1.33 0.00 0.00 58.87 58.12 1pn5 n SER 94 Cb 0.33 -3.52 -0.11 0.00 -0.75 0.00 0.00 64.21 60.15 1pn5 n SER 94 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1pn5 s SER 95 N -1.51 1.49 -0.15 -3.46 0.01 -1.26 -4.96 113.70 103.86 1pn5 s SER 95 Ca 0.08 -0.45 -0.20 0.00 1.31 0.00 0.00 55.95 56.69 1pn5 s SER 95 Cb -0.01 0.48 0.05 0.00 0.21 0.00 0.00 66.02 66.75 1pn5 s SER 95 CO 0.51 -0.36 0.52 -0.94 0.41 0.00 0.00 173.24 173.38 1pn5 s SER 96 N 2.35 -0.52 0.00 2.44 1.04 -1.26 -5.08 113.70 112.68 1pn5 s SER 96 Ca 0.09 0.88 0.21 0.00 0.48 0.00 0.00 55.95 57.61 1pn5 s SER 96 Cb -0.15 0.89 0.24 0.00 0.10 0.00 0.00 66.02 67.10 1pn5 s SER 96 CO -0.23 -0.28 1.23 0.61 0.98 0.00 0.00 173.24 175.56 1pn5 n GLY 97 N 2.30 1.04 3.64 7.32 0.00 -1.26 -5.07 105.19 113.17 1pn5 n GLY 97 Ca -0.15 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 1pn5 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pn5 s GLU 98 N -1.67 0.58 0.39 1.61 0.41 -1.26 -4.89 118.70 113.87 1pn5 s GLU 98 Ca 0.28 0.97 0.00 0.00 -0.41 0.00 0.00 54.97 55.82 1pn5 s GLU 98 Cb 0.19 -1.72 0.00 0.00 -1.78 0.00 0.00 34.13 30.82 1pn5 s GLU 98 CO 0.28 -2.75 0.00 2.41 -0.49 0.00 0.00 175.26 174.71 1pn5 n THR 99 N -4.25 -3.71 -1.38 3.63 -1.04 -1.26 -4.95 114.28 101.33 1pn5 n THR 99 Ca 0.07 1.60 -0.29 0.00 -2.04 0.00 0.00 64.05 63.39 1pn5 n THR 99 Cb 0.54 -2.26 0.22 0.00 -1.82 0.00 0.00 70.33 67.02 1pn5 n THR 99 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1pn5 n PRO 100 N -1.20 -2.33 -3.62 -2.82 -0.04 -1.26 -4.22 135.00 119.51 1pn5 n PRO 100 Ca 0.00 -1.81 -0.21 0.00 -0.04 0.00 0.00 63.50 61.44 1pn5 n PRO 100 Cb 0.07 -1.47 0.04 0.00 -0.04 0.00 0.00 33.50 32.10 1pn5 n PRO 100 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pn5 n ALA 101 N -4.41 -2.12 -1.78 0.55 0.00 -1.26 -4.98 120.51 106.51 1pn5 n ALA 101 Ca -0.20 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.70 1pn5 n ALA 101 Cb 0.56 -2.63 -0.02 0.00 0.00 0.00 0.00 19.45 17.36 1pn5 n ALA 101 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1pn5 s GLN 102 N -5.73 4.37 0.49 0.00 -2.07 -1.26 -5.01 119.66 110.45 1pn5 s GLN 102 Ca 0.10 2.18 -0.20 0.00 -1.82 0.00 0.00 55.36 55.62 1pn5 s GLN 102 Cb -0.02 -3.09 -0.08 0.00 -1.09 0.00 0.00 33.01 28.73 1pn5 s GLN 102 CO 0.80 -0.17 1.05 -1.25 -1.32 0.00 0.00 175.29 174.40 1pn5 s PRO 103 N -1.62 3.78 -0.37 9.60 0.04 -1.26 -5.04 135.00 140.11 1pn5 s PRO 103 Ca 0.49 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1pn5 s PRO 103 Cb -0.39 -2.12 0.14 0.00 0.04 0.00 0.00 34.50 32.17 1pn5 s PRO 103 CO 0.51 -0.46 0.21 -1.21 0.04 0.00 0.00 177.00 176.09 1pn5 s GLU 104 N -3.19 0.77 -0.30 4.56 0.41 -1.26 -5.03 118.70 114.66 1pn5 s GLU 104 Ca 0.67 -1.50 -0.01 0.00 -0.41 0.00 0.00 54.97 53.73 1pn5 s GLU 104 Cb -0.18 -1.64 0.10 0.00 -1.78 0.00 0.00 34.13 30.63 1pn5 s GLU 104 CO 0.21 -1.18 0.09 0.15 -0.49 0.00 0.00 175.26 174.04 1pn5 s LYS 105 N 0.91 0.73 -0.47 1.61 3.01 -1.26 -5.04 119.74 119.23 1pn5 s LYS 105 Ca 0.17 -1.02 0.08 0.00 -1.01 0.00 0.00 55.97 54.19 1pn5 s LYS 105 Cb -0.23 -2.01 0.29 0.00 -1.01 0.00 0.00 37.83 34.87 1pn5 s LYS 105 CO -0.01 -0.95 0.69 -2.37 0.51 0.00 0.00 175.35 173.22 1pn5 n THR 106 N 4.86 0.73 -4.22 2.17 5.66 -1.26 -4.75 114.28 117.46 1pn5 n THR 106 Ca -0.03 -4.68 -0.17 0.00 -3.05 0.00 0.00 64.05 56.13 1pn5 n THR 106 Cb 0.42 -1.48 -0.14 0.00 -1.55 0.00 0.00 70.33 67.59 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 -2.15 0.99 0.14 1.09 0.01 -1.26 -5.05 113.70 107.47 1pn5 s SER 107 Ca 0.40 -0.29 -0.21 0.00 1.31 0.00 0.00 55.95 57.15 1pn5 s SER 107 Cb 0.23 -0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.41 1pn5 s SER 107 CO -0.08 0.00 1.66 1.23 0.41 0.00 0.00 173.24 176.46 1pn5 h GLY 108 N 5.41 -0.01 0.60 3.44 0.00 -1.93 0.37 103.07 110.96 1pn5 h GLY 108 Ca -0.32 0.19 0.15 0.00 0.00 0.00 0.00 47.33 47.35 1pn5 h GLY 108 CO 0.46 -0.16 0.54 -0.33 0.00 0.00 0.00 176.54 177.06 1pn5 h MET 109 N -0.15 0.55 0.11 4.80 2.86 -1.88 -0.82 114.93 120.40 1pn5 h MET 109 Ca 0.13 -0.03 -0.36 0.00 -2.06 0.00 0.00 59.70 57.38 1pn5 h MET 109 Cb 0.34 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 1pn5 h MET 109 CO -0.31 0.36 -1.96 -1.91 1.06 0.00 0.00 176.91 174.15 1pn5 n GLU 110 N -4.52 0.74 -0.22 1.72 2.13 -0.61 -1.76 120.64 118.12 1pn5 n GLU 110 Ca 0.16 0.28 0.04 0.00 0.66 0.00 0.00 57.16 58.30 1pn5 n GLU 110 Cb 0.50 -1.71 0.29 0.00 0.27 0.00 0.00 31.44 30.79 1pn5 n GLU 110 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1pn5 h VAL 111 N -0.01 1.10 0.15 6.31 2.07 -0.90 -0.55 116.25 124.42 1pn5 h VAL 111 Ca -0.42 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1pn5 h VAL 111 Cb 1.98 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1pn5 h VAL 111 CO 0.06 0.17 -0.07 0.00 0.02 0.00 0.00 177.57 177.74 1pn5 h ALA 112 N 1.56 -0.21 0.00 1.67 0.00 -1.17 0.15 119.26 121.26 1pn5 h ALA 112 Ca 0.31 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1pn5 h ALA 112 Cb 0.10 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1pn5 h ALA 112 CO -0.10 -0.56 -0.00 1.03 0.00 0.00 0.00 179.25 179.62 1pn5 h SER 113 N -0.32 0.00 -0.07 0.00 0.87 -0.89 -1.22 113.55 111.92 1pn5 h SER 113 Ca -0.02 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.37 1pn5 h SER 113 Cb 0.26 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1pn5 h SER 113 CO 0.03 0.00 -0.61 0.22 -0.53 0.00 0.00 176.83 175.95 1pn5 h TYR 114 N 0.00 0.74 -0.34 2.24 3.20 -0.85 -3.18 116.97 118.79 1pn5 h TYR 114 Ca -0.00 -0.36 -0.11 0.00 3.14 0.00 0.00 58.73 61.40 1pn5 h TYR 114 Cb 0.01 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1pn5 h TYR 114 CO 0.00 1.16 -0.22 1.25 -1.64 0.00 0.00 178.16 178.70 1pn5 h LEU 115 N 0.12 0.78 -1.64 2.82 5.85 0.40 -1.64 115.31 122.00 1pn5 h LEU 115 Ca -0.06 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 1pn5 h LEU 115 Cb 1.27 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1pn5 h LEU 115 CO 0.12 1.04 -0.10 0.58 -0.34 0.00 0.00 178.44 179.75 1pn5 h VAL 116 N 0.52 1.12 0.00 1.05 2.07 -1.43 0.11 116.25 119.69 1pn5 h VAL 116 Ca 0.07 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1pn5 h VAL 116 Cb 0.78 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1pn5 h VAL 116 CO 0.06 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.81 1pn5 n ALA 117 N -2.51 2.57 -0.02 1.67 0.00 -0.67 -0.83 120.51 120.72 1pn5 n ALA 117 Ca -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 53.44 53.22 1pn5 n ALA 117 Cb 0.21 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 1pn5 n ALA 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pn5 n GLN 118 N -1.01 0.08 -0.00 0.00 1.13 -0.53 -4.88 117.38 112.18 1pn5 n GLN 118 Ca 0.21 0.02 0.02 0.00 -1.94 0.00 0.00 57.00 55.31 1pn5 n GLN 118 Cb 0.10 -1.05 -0.03 0.00 0.11 0.00 0.00 30.24 29.37 1pn5 n GLN 118 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1pn5 n TYR 119 N -2.61 0.00 -0.85 1.08 4.02 0.28 -5.10 117.16 113.98 1pn5 n TYR 119 Ca -0.06 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.89 1pn5 n TYR 119 Cb 0.56 -0.07 -0.03 0.00 -0.02 0.00 0.00 39.34 39.78 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 1.97 -3.26 0.00 2.72 0.00 -0.01 -4.05 105.19 102.57 1pn5 n GLY 120 Ca -0.00 -1.15 0.03 0.00 0.00 0.00 0.00 46.02 44.90 1pn5 n GLY 120 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pn5 n GLU 121 N -2.85 0.03 0.00 1.61 2.13 -1.26 -0.90 120.64 119.40 1pn5 n GLU 121 Ca -0.03 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.13 1pn5 n GLU 121 Cb 0.35 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.56 1pn5 n GLU 121 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1pn5 n GLN 122 N -1.43 0.00 0.24 5.31 1.13 -1.26 -3.81 117.38 117.57 1pn5 n GLN 122 Ca 0.02 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.16 1pn5 n GLN 122 Cb 0.06 -0.71 0.59 0.00 0.11 0.00 0.00 30.24 30.29 1pn5 n GLN 122 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pn5 h ARG 123 N 0.00 0.00 0.00 -1.09 -0.00 -1.66 0.54 114.38 112.16 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 0.14 0.00 0.00 0.00 0.00 0.00 179.97 180.11 1pn5 h ALA 124 N 1.86 1.00 0.00 0.04 0.00 -1.21 -1.35 119.26 119.60 1pn5 h ALA 124 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1pn5 h ALA 124 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1pn5 h ALA 124 CO 0.02 0.00 -1.51 1.87 0.00 0.00 0.00 179.25 179.63 1pn5 n TRP 125 N -2.57 0.00 0.01 0.00 -0.00 -0.53 -4.34 117.44 110.01 1pn5 n TRP 125 Ca -0.02 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.58 1pn5 n TRP 125 Cb 0.07 -0.33 0.52 0.00 -0.00 0.00 0.00 31.31 31.57 1pn5 n TRP 125 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 177.69 177.91 1pn5 h ASP 126 N -0.23 0.30 0.44 5.87 1.82 -0.90 0.12 116.42 123.84 1pn5 h ASP 126 Ca -0.22 -0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.11 1pn5 h ASP 126 Cb 1.24 -0.07 0.01 0.00 0.68 0.00 0.00 39.33 41.19 1pn5 h ASP 126 CO -0.11 0.20 -1.43 0.25 -1.61 0.00 0.00 179.24 176.54 1pn5 h LEU 127 N 0.35 0.56 -1.38 2.28 6.46 -1.47 -3.26 115.31 118.85 1pn5 h LEU 127 Ca 0.19 -0.65 -0.01 0.00 -0.12 0.00 0.00 57.88 57.28 1pn5 h LEU 127 Cb 0.30 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 1pn5 h LEU 127 CO -0.04 1.52 0.28 0.00 -0.62 0.00 0.00 178.44 179.58 1pn5 h ALA 128 N 0.39 1.53 -0.62 1.25 0.00 -1.26 -1.52 119.26 119.03 1pn5 h ALA 128 Ca -0.22 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.70 1pn5 h ALA 128 Cb 2.06 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.60 1pn5 h ALA 128 CO 0.21 0.39 0.41 -0.07 0.00 0.00 0.00 179.25 180.20 1pn5 h LEU 129 N 0.71 0.45 0.37 0.00 -0.00 -0.89 -1.77 115.31 114.18 1pn5 h LEU 129 Ca 0.18 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 58.05 1pn5 h LEU 129 Cb 0.02 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 1pn5 h LEU 129 CO -0.03 0.28 -0.18 -0.74 -0.00 0.00 0.00 178.44 177.77 1pn5 h HIS 130 N 0.50 -0.46 -0.97 1.13 2.76 -1.41 -3.38 115.15 113.32 1pn5 h HIS 130 Ca 0.28 -0.01 0.25 0.00 -2.20 0.00 0.00 60.37 58.69 1pn5 h HIS 130 Cb 0.45 0.15 -0.18 0.00 1.55 0.00 0.00 27.41 29.37 1pn5 h HIS 130 CO -0.00 -0.15 -0.06 2.41 -1.30 0.00 0.00 177.93 178.83 1pn5 n THR 131 N -5.12 -0.41 1.27 6.26 -1.04 -0.67 -0.63 114.28 113.94 1pn5 n THR 131 Ca -0.08 2.16 0.13 0.00 -2.04 0.00 0.00 64.05 64.22 1pn5 n THR 131 Cb 0.26 -3.11 0.35 0.00 -1.82 0.00 0.00 70.33 66.02 1pn5 n THR 131 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 1pn5 n TRP 132 N -5.49 0.00 0.10 -1.42 2.14 -1.21 -2.98 117.44 108.57 1pn5 n TRP 132 Ca 0.21 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.66 1pn5 n TRP 132 Cb 0.67 -0.06 -0.05 0.00 -0.81 0.00 0.00 31.31 31.06 1pn5 n TRP 132 CO 0.00 0.00 0.00 1.49 2.07 0.00 0.00 177.69 181.25 1pn5 h GLU 133 N 1.99 -0.39 0.00 -2.67 4.81 -1.06 -2.85 114.58 114.43 1pn5 h GLU 133 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1pn5 h GLU 133 Cb 0.58 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1pn5 h GLU 133 CO 0.00 -0.26 0.00 1.96 -0.73 0.00 0.00 179.01 179.98 1pn5 h GLN 134 N -0.40 0.00 -0.00 1.92 1.08 -1.61 -2.03 115.11 114.07 1pn5 h GLN 134 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1pn5 h GLN 134 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 1pn5 h GLN 134 CO -0.15 0.00 -0.03 -1.33 -0.95 0.00 0.00 178.83 176.37 1pn5 n MET 135 N -2.69 0.11 -3.08 1.46 2.81 -1.08 -4.96 117.12 109.69 1pn5 n MET 135 Ca 0.00 -0.01 -0.13 0.00 -1.81 0.00 0.00 57.70 55.75 1pn5 n MET 135 Cb 0.20 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.27 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 1.45 0.01 2.67 3.03 0.00 -0.76 -4.98 105.19 106.61 1pn5 n GLY 136 Ca 0.09 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.15 3.30 0.24 0.99 -0.00 -1.22 -4.97 117.00 112.19 1pn5 n LEU 137 Ca -0.05 -5.39 0.17 0.00 -0.00 0.00 0.00 56.01 50.74 1pn5 n LEU 137 Cb 0.56 -0.13 0.87 0.00 -0.00 0.00 0.00 43.42 44.71 1pn5 n LEU 137 CO 0.39 2.30 1.14 -0.09 -0.00 0.00 0.00 177.39 181.14 1pn5 h ARG 138 N 2.96 0.00 0.00 1.47 2.43 -1.90 -0.33 114.38 119.01 1pn5 h ARG 138 Ca 0.12 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1pn5 h ARG 138 Cb 0.69 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1pn5 h ARG 138 CO 0.71 0.00 -0.06 0.77 -1.51 0.00 0.00 179.97 179.89 1pn5 h SER 139 N 0.00 0.00 0.59 -3.80 0.02 -1.97 0.35 113.55 108.74 1pn5 h SER 139 Ca 0.06 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1pn5 h SER 139 Cb 0.35 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.90 1pn5 h SER 139 CO -0.00 0.06 -0.28 -0.07 -1.14 0.00 0.00 176.83 175.39 1pn5 h LEU 140 N 0.00 -0.67 -0.66 5.07 -0.00 -1.46 -1.66 115.31 115.93 1pn5 h LEU 140 Ca -0.00 -0.03 0.14 0.00 -0.00 0.00 0.00 57.88 57.98 1pn5 h LEU 140 Cb 0.23 0.17 -0.12 0.00 -0.00 0.00 0.00 40.66 40.94 1pn5 h LEU 140 CO 0.01 -0.34 -0.10 0.00 -0.00 0.00 0.00 178.44 178.00 1pn5 h ALA 142 N 1.65 -0.61 -0.86 0.00 0.00 -0.92 -2.79 119.26 115.73 1pn5 h ALA 142 Ca 0.33 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.20 1pn5 h ALA 142 Cb 0.53 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1pn5 h ALA 142 CO -0.64 -0.76 0.56 1.96 0.00 0.00 0.00 179.25 180.37 1pn5 h GLN 143 N -0.78 0.68 -0.06 0.00 4.20 -0.78 0.26 115.11 118.63 1pn5 h GLN 143 Ca -0.06 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.62 1pn5 h GLN 143 Cb 0.54 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.17 1pn5 h GLN 143 CO 0.10 0.45 0.28 0.00 -0.67 0.00 0.00 178.83 178.99 1pn5 h ALA 144 N 1.60 1.41 0.00 3.87 0.00 -0.38 -2.44 119.26 123.31 1pn5 h ALA 144 Ca 0.42 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1pn5 h ALA 144 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1pn5 h ALA 144 CO -0.19 -0.31 -0.22 1.04 0.00 0.00 0.00 179.25 179.57 1pn5 n GLN 145 N -3.09 0.59 -3.51 0.00 6.02 -0.02 -4.76 117.38 112.62 1pn5 n GLN 145 Ca -0.01 -1.25 -0.27 0.00 -0.01 0.00 0.00 57.00 55.46 1pn5 n GLN 145 Cb 0.35 -0.76 -0.10 0.00 1.02 0.00 0.00 30.24 30.76 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 -0.35 1.26 0.00 -1.09 1.02 -0.63 -4.88 120.64 115.97 1pn5 n GLU 146 Ca 0.03 -3.88 0.00 0.00 -0.02 0.00 0.00 57.16 53.29 1pn5 n GLU 146 Cb 0.59 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1pn5 n GLU 146 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pn5 n GLY 147 N 1.88 1.95 0.58 0.62 0.00 -1.26 -2.55 105.19 106.40 1pn5 n GLY 147 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 0.35 0.00 0.00 4.61 0.00 -1.07 -4.93 120.51 119.47 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 -2.18 -1.32 3.60 0.00 0.00 -1.06 -4.82 105.19 99.41 1pn5 n GLY 149 Ca 0.00 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.64 1pn5 n GLY 149 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pn5 s HIS 150 N 0.00 1.12 -2.89 1.61 3.76 -1.26 -5.08 115.29 112.56 1pn5 s HIS 150 Ca 0.00 0.73 0.23 0.00 -0.15 0.00 0.00 55.06 55.87 1pn5 s HIS 150 Cb 0.00 -3.32 0.18 0.00 1.11 0.00 0.00 32.58 30.55 1pn5 s HIS 150 CO 0.00 -3.58 1.23 0.45 -0.85 0.00 0.00 174.74 171.99