#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 -2.75 0.00 3.04 0.00 -1.26 -5.03 120.51 114.51 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 0.16 -1.03 4.83 0.00 0.00 -1.26 -5.04 105.19 102.85 1pn5 n GLY 61 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 1.56 0.35 -0.02 0.00 -1.26 -4.55 105.19 101.27 1pn5 n GLY 62 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1pn5 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn5 h ALA 63 N 0.00 1.20 0.05 4.61 0.00 -2.00 -3.36 119.26 119.76 1pn5 h ALA 63 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pn5 h ALA 63 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1pn5 h ALA 63 CO 0.00 0.48 -0.02 0.11 0.00 0.00 0.00 179.25 179.82 1pn5 h TRP 64 N 1.18 -0.06 0.00 0.00 5.08 -1.94 -3.45 115.95 116.75 1pn5 h TRP 64 Ca 0.36 -0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.33 1pn5 h TRP 64 Cb -0.03 0.02 0.00 0.00 -3.00 0.00 0.00 29.16 26.15 1pn5 h TRP 64 CO -0.01 -0.01 0.00 0.41 -1.28 0.00 0.00 178.44 177.55 1pn5 n GLY 65 N 1.61 0.67 0.07 11.11 0.00 -1.26 -0.37 105.19 117.01 1pn5 n GLY 65 Ca -0.01 0.61 0.12 0.00 0.00 0.00 0.00 46.02 46.73 1pn5 n GLY 65 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1pn5 n ARG 66 N 0.00 0.13 -0.26 1.61 1.85 -1.26 -4.21 116.66 114.52 1pn5 n ARG 66 Ca 0.00 0.22 0.04 0.00 -1.00 0.00 0.00 57.85 57.11 1pn5 n ARG 66 Cb 0.00 -1.69 0.13 0.00 -1.05 0.00 0.00 32.46 29.85 1pn5 n ARG 66 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 1pn5 h LEU 67 N 0.00 -0.52 -2.32 2.89 5.85 -1.03 0.30 115.31 120.49 1pn5 h LEU 67 Ca 0.00 0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.97 1pn5 h LEU 67 Cb 0.50 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1pn5 h LEU 67 CO 0.00 -0.22 0.17 0.00 -0.34 0.00 0.00 178.44 178.05 1pn5 h ALA 68 N 1.74 1.65 -0.28 1.25 0.00 -1.82 -0.24 119.26 121.56 1pn5 h ALA 68 Ca 0.40 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.14 1pn5 h ALA 68 Cb 0.67 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1pn5 h ALA 68 CO -0.73 -0.24 -0.49 0.00 0.00 0.00 0.00 179.25 177.80 1pn5 n TYR 70 N -4.01 0.00 -0.04 0.00 4.02 -0.12 -3.29 117.16 113.73 1pn5 n TYR 70 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 1pn5 n TYR 70 Cb 0.59 -0.44 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 1pn5 n TYR 70 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1pn5 n LEU 71 N -1.44 1.86 -0.01 7.72 4.77 -0.75 -4.68 117.00 124.47 1pn5 n LEU 71 Ca 0.04 -1.86 0.01 0.00 -0.03 0.00 0.00 56.01 54.17 1pn5 n LEU 71 Cb 0.13 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1pn5 n LEU 71 CO 0.11 0.46 0.06 -1.84 -1.33 0.00 0.00 177.39 174.85 1pn5 n GLU 72 N -0.45 5.03 0.30 3.23 -0.00 -0.94 -4.35 120.64 123.46 1pn5 n GLU 72 Ca 0.00 -0.12 0.16 0.00 -0.00 0.00 0.00 57.16 57.20 1pn5 n GLU 72 Cb 0.25 -0.66 0.94 0.00 -0.00 0.00 0.00 31.44 31.97 1pn5 n GLU 72 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1pn5 h PHE 73 N 0.06 0.00 -1.71 -1.84 -5.15 -1.84 -3.42 116.94 103.04 1pn5 h PHE 73 Ca 0.00 0.00 -0.56 0.00 -0.20 0.00 0.00 57.97 57.21 1pn5 h PHE 73 Cb 0.03 0.00 -0.08 0.00 0.22 0.00 0.00 35.95 36.12 1pn5 h PHE 73 CO 0.00 0.02 -0.52 -0.48 -2.00 0.00 0.00 178.31 175.33 1pn5 s LEU 74 N -7.29 3.15 0.43 2.10 0.05 -1.26 -5.16 118.68 110.70 1pn5 s LEU 74 Ca -0.04 -0.97 0.04 0.00 0.05 0.00 0.00 54.13 53.20 1pn5 s LEU 74 Cb 0.14 -1.53 -0.02 0.00 -2.05 0.00 0.00 46.19 42.73 1pn5 s LEU 74 CO 0.53 -0.44 0.15 -0.54 -0.55 0.00 0.00 176.35 175.49 1pn5 s LYS 75 N -3.87 1.99 0.39 1.48 1.02 -1.26 -4.83 119.74 114.66 1pn5 s LYS 75 Ca 0.40 -2.23 0.24 0.00 0.02 0.00 0.00 55.97 54.40 1pn5 s LYS 75 Cb 0.01 -0.56 1.36 0.00 -0.52 0.00 0.00 37.83 38.12 1pn5 s LYS 75 CO 0.22 -0.53 1.60 1.57 -0.92 0.00 0.00 175.35 177.29 1pn5 h LYS 76 N 1.72 0.06 -0.03 1.68 -0.00 -1.93 0.16 116.57 118.22 1pn5 h LYS 76 Ca -0.34 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.31 1pn5 h LYS 76 Cb 1.28 -0.01 -0.00 0.00 -0.00 0.00 0.00 32.23 33.49 1pn5 h LYS 76 CO 0.54 0.04 -0.02 0.39 -0.00 0.00 0.00 179.45 180.40 1pn5 n GLU 77 N -5.02 -0.02 -0.05 0.07 -0.58 -1.26 -0.95 120.64 112.83 1pn5 n GLU 77 Ca 0.38 0.30 -0.02 0.00 -0.42 0.00 0.00 57.16 57.40 1pn5 n GLU 77 Cb 1.34 -0.46 -0.11 0.00 -0.57 0.00 0.00 31.44 31.64 1pn5 n GLU 77 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1pn5 n GLU 78 N -2.54 1.35 -0.22 3.49 -0.58 -0.14 -4.12 120.64 117.88 1pn5 n GLU 78 Ca 0.00 -0.05 -0.01 0.00 -0.42 0.00 0.00 57.16 56.68 1pn5 n GLU 78 Cb 0.01 -1.34 0.21 0.00 -0.57 0.00 0.00 31.44 29.75 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 0.90 0.10 -4.62 7.12 -0.69 0.28 115.31 118.40 1pn5 h LEU 79 Ca -0.24 -0.05 -0.29 0.00 0.13 0.00 0.00 57.88 57.43 1pn5 h LEU 79 Cb 1.43 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 41.32 1pn5 h LEU 79 CO 0.01 0.70 -1.44 0.50 -0.13 0.00 0.00 178.44 178.08 1pn5 h LYS 80 N 1.03 0.21 -0.54 1.25 3.11 -1.26 -2.29 116.57 118.08 1pn5 h LYS 80 Ca 0.27 -0.36 0.08 0.00 -2.81 0.00 0.00 60.65 57.83 1pn5 h LYS 80 Cb -0.03 0.13 -0.07 0.00 -1.00 0.00 0.00 32.23 31.27 1pn5 h LYS 80 CO -0.05 1.08 0.18 0.93 -2.81 0.00 0.00 179.45 178.78 1pn5 h GLU 81 N 0.06 0.33 0.00 1.90 5.08 -1.66 0.66 114.58 120.95 1pn5 h GLU 81 Ca -0.20 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1pn5 h GLU 81 Cb 1.98 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.16 1pn5 h GLU 81 CO 0.16 0.22 0.00 0.35 -1.00 0.00 0.00 179.01 178.74 1pn5 h PHE 82 N 0.34 0.00 0.03 4.33 3.57 -0.27 0.28 116.94 125.22 1pn5 h PHE 82 Ca 0.27 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.62 1pn5 h PHE 82 Cb 0.32 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1pn5 h PHE 82 CO -0.18 0.00 -0.78 0.37 -2.23 0.00 0.00 178.31 175.49 1pn5 h GLN 83 N 0.00 0.06 -0.35 1.11 4.15 -0.92 -3.34 115.11 115.81 1pn5 h GLN 83 Ca 0.00 -0.10 -0.07 0.00 0.77 0.00 0.00 58.65 59.25 1pn5 h GLN 83 Cb 0.35 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1pn5 h GLN 83 CO 0.00 1.05 -0.06 1.37 -1.93 0.00 0.00 178.83 179.25 1pn5 h LEU 84 N -0.84 0.66 -1.31 -2.39 8.10 0.42 -0.15 115.31 119.80 1pn5 h LEU 84 Ca -0.20 -0.35 -0.02 0.00 0.11 0.00 0.00 57.88 57.43 1pn5 h LEU 84 Cb 1.29 -0.18 -0.00 0.00 -0.44 0.00 0.00 40.66 41.32 1pn5 h LEU 84 CO -0.06 0.86 -0.07 -0.07 -4.11 0.00 0.00 178.44 174.98 1pn5 h LEU 85 N 0.46 0.00 0.11 0.17 3.38 -0.74 0.13 115.31 118.83 1pn5 h LEU 85 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1pn5 h LEU 85 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1pn5 h LEU 85 CO 0.03 0.07 -0.05 0.25 0.09 0.00 0.00 178.44 178.83 1pn5 h LEU 86 N 0.00 -0.13 -1.38 1.67 5.85 -1.39 -2.50 115.31 117.43 1pn5 h LEU 86 Ca -0.00 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1pn5 h LEU 86 Cb 0.60 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1pn5 h LEU 86 CO 0.01 0.32 0.00 0.00 -0.34 0.00 0.00 178.44 178.43 1pn5 h ALA 87 N 0.18 1.00 -0.01 1.25 0.00 -0.32 0.21 119.26 121.57 1pn5 h ALA 87 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1pn5 h ALA 87 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1pn5 h ALA 87 CO 0.03 0.00 -0.33 -0.97 0.00 0.00 0.00 179.25 177.97 1pn5 h ASN 88 N 0.00 0.31 -0.30 0.00 -0.73 -0.90 -3.28 115.58 110.67 1pn5 h ASN 88 Ca 0.00 -0.75 -0.09 0.00 1.87 0.00 0.00 56.30 57.33 1pn5 h ASN 88 Cb 0.24 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.72 1pn5 h ASN 88 CO 0.00 1.02 -0.10 0.50 -0.37 0.00 0.00 177.43 178.48 1pn5 h LYS 89 N -0.37 0.72 -6.79 6.67 1.63 -0.86 -3.45 116.57 114.12 1pn5 h LYS 89 Ca -0.04 -0.23 -0.57 0.00 -0.85 0.00 0.00 60.65 58.96 1pn5 h LYS 89 Cb 1.06 -0.07 0.15 0.00 -0.60 0.00 0.00 32.23 32.78 1pn5 h LYS 89 CO 0.07 0.80 0.18 0.00 -3.45 0.00 0.00 179.45 177.04 1pn5 n ALA 90 N -2.48 0.32 -2.83 5.00 0.00 0.67 -5.02 120.51 116.16 1pn5 n ALA 90 Ca 0.01 0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.40 1pn5 n ALA 90 Cb 0.35 -2.12 -0.13 0.00 0.00 0.00 0.00 19.45 17.55 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 -1.43 0.44 0.15 0.00 -3.43 -1.26 -4.94 115.29 104.82 1pn5 s HIS 91 Ca 0.71 -0.25 -0.20 0.00 -0.80 0.00 0.00 55.06 54.52 1pn5 s HIS 91 Cb -0.45 -0.28 0.05 0.00 -1.43 0.00 0.00 32.58 30.47 1pn5 s HIS 91 CO 0.50 -0.05 0.52 -1.54 -2.00 0.00 0.00 174.74 172.18 1pn5 s SER 92 N -0.69 -0.42 0.05 7.38 1.04 -1.26 -5.16 113.70 114.63 1pn5 s SER 92 Ca -0.04 -0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.25 1pn5 s SER 92 Cb -0.05 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 1pn5 s SER 92 CO -0.00 -0.93 -0.06 -0.13 0.98 0.00 0.00 173.24 173.09 1pn5 s ARG 93 N -3.78 0.56 0.08 4.02 0.52 -1.24 -4.74 118.95 114.36 1pn5 s ARG 93 Ca 0.02 -0.87 -0.18 0.00 -0.52 0.00 0.00 55.73 54.18 1pn5 s ARG 93 Cb 0.00 -0.18 0.06 0.00 0.52 0.00 0.00 34.95 35.35 1pn5 s ARG 93 CO -0.12 0.01 0.85 0.45 0.02 0.00 0.00 175.30 176.51 1pn5 n SER 94 N 1.12 -1.14 0.00 0.23 2.88 -0.16 -4.93 113.62 111.62 1pn5 n SER 94 Ca -0.20 -1.49 0.00 0.00 -1.33 0.00 0.00 58.87 55.85 1pn5 n SER 94 Cb 0.56 1.83 0.00 0.00 -0.75 0.00 0.00 64.21 65.85 1pn5 n SER 94 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1pn5 n SER 95 N -1.01 0.00 0.10 -3.46 3.41 -1.26 -0.93 113.62 110.47 1pn5 n SER 95 Ca 0.00 0.90 0.11 0.00 -0.26 0.00 0.00 58.87 59.63 1pn5 n SER 95 Cb 0.44 -0.40 0.45 0.00 -0.26 0.00 0.00 64.21 64.44 1pn5 n SER 95 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1pn5 n SER 96 N -2.52 0.55 0.00 4.04 7.64 -1.26 -4.92 113.62 117.15 1pn5 n SER 96 Ca 0.00 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.50 1pn5 n SER 96 Cb 0.00 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1pn5 n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pn5 n GLY 97 N 0.23 2.47 3.69 0.23 0.00 -0.11 -5.05 105.19 106.64 1pn5 n GLY 97 Ca 0.03 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 1pn5 n GLY 97 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pn5 s GLU 98 N 0.00 2.51 0.24 1.61 -1.05 -1.26 -0.99 118.70 119.76 1pn5 s GLU 98 Ca 0.00 -0.98 -0.06 0.00 -0.15 0.00 0.00 54.97 53.78 1pn5 s GLU 98 Cb 0.00 -2.46 -0.06 0.00 -0.44 0.00 0.00 34.13 31.18 1pn5 s GLU 98 CO 0.00 0.49 0.51 0.95 0.95 0.00 0.00 175.26 178.16 1pn5 s THR 99 N -1.57 5.03 0.71 1.83 -4.23 -1.26 -4.84 115.64 111.31 1pn5 s THR 99 Ca 0.27 0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 60.79 1pn5 s THR 99 Cb -0.10 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.09 1pn5 s THR 99 CO 0.19 -0.17 1.16 -2.16 -0.54 0.00 0.00 174.62 173.10 1pn5 s PRO 100 N -3.14 2.38 -0.19 3.99 0.04 -1.26 -5.07 135.00 131.75 1pn5 s PRO 100 Ca 0.44 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 1pn5 s PRO 100 Cb -0.11 -1.88 0.13 0.00 0.04 0.00 0.00 34.50 32.68 1pn5 s PRO 100 CO 0.26 -1.61 1.05 0.00 0.04 0.00 0.00 177.00 176.74 1pn5 s ALA 101 N -2.18 -1.96 0.06 8.56 0.00 -1.26 -5.17 121.76 119.81 1pn5 s ALA 101 Ca 0.71 1.66 -0.05 0.00 0.00 0.00 0.00 51.96 54.27 1pn5 s ALA 101 Cb -0.25 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 1pn5 s ALA 101 CO 0.44 -0.29 0.30 -0.65 0.00 0.00 0.00 175.76 175.57 1pn5 s GLN 102 N -0.90 3.58 0.15 0.00 -1.52 -1.26 -5.08 119.66 114.63 1pn5 s GLN 102 Ca 0.00 -0.12 -0.30 0.00 -1.95 0.00 0.00 55.36 52.99 1pn5 s GLN 102 Cb -0.01 -2.99 -0.07 0.00 -0.22 0.00 0.00 33.01 29.72 1pn5 s GLN 102 CO -0.01 0.58 0.96 -1.25 -0.25 0.00 0.00 175.29 175.32 1pn5 s PRO 103 N -2.18 4.75 -0.27 2.91 0.04 -1.26 -4.95 135.00 134.03 1pn5 s PRO 103 Ca 0.33 1.47 0.21 0.00 0.04 0.00 0.00 61.00 63.05 1pn5 s PRO 103 Cb -0.13 -3.34 0.48 0.00 0.04 0.00 0.00 34.50 31.55 1pn5 s PRO 103 CO 0.21 0.30 1.22 0.39 0.04 0.00 0.00 177.00 179.16 1pn5 n GLU 104 N 2.37 1.62 -3.81 4.56 1.02 -1.26 -5.09 120.64 120.06 1pn5 n GLU 104 Ca 0.01 -2.93 -0.26 0.00 -0.02 0.00 0.00 57.16 53.95 1pn5 n GLU 104 Cb 0.48 -1.10 -0.17 0.00 -0.02 0.00 0.00 31.44 30.64 1pn5 n GLU 104 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1pn5 s LYS 105 N -2.81 0.93 0.00 3.49 -0.14 -1.26 -4.95 119.74 115.00 1pn5 s LYS 105 Ca 0.23 -0.26 0.00 0.00 -1.36 0.00 0.00 55.97 54.58 1pn5 s LYS 105 Cb 0.35 -1.66 0.00 0.00 -1.68 0.00 0.00 37.83 34.84 1pn5 s LYS 105 CO -0.06 -0.44 0.03 -2.37 -0.76 0.00 0.00 175.35 171.75 1pn5 n THR 106 N 5.02 0.00 -4.30 2.17 5.66 -1.26 -5.02 114.28 116.55 1pn5 n THR 106 Ca -0.09 -0.04 -0.23 0.00 -3.05 0.00 0.00 64.05 60.64 1pn5 n THR 106 Cb 0.48 1.67 -0.12 0.00 -1.55 0.00 0.00 70.33 70.81 1pn5 n THR 106 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1pn5 s SER 107 N -0.02 2.57 0.16 1.09 0.15 -1.26 -4.87 113.70 111.52 1pn5 s SER 107 Ca 0.00 -0.74 -0.12 0.00 0.70 0.00 0.00 55.95 55.79 1pn5 s SER 107 Cb 0.00 -0.14 0.04 0.00 -1.71 0.00 0.00 66.02 64.21 1pn5 s SER 107 CO 0.00 0.03 1.66 1.23 1.20 0.00 0.00 173.24 177.36 1pn5 h GLY 108 N 3.83 0.93 1.81 9.45 0.00 -1.92 0.07 103.07 117.24 1pn5 h GLY 108 Ca -0.45 -0.59 0.01 0.00 0.00 0.00 0.00 47.33 46.30 1pn5 h GLY 108 CO 0.43 0.55 0.09 0.00 0.00 0.00 0.00 176.54 177.61 1pn5 h MET 109 N 0.76 0.00 0.00 4.80 -0.00 -1.88 0.38 114.93 118.99 1pn5 h MET 109 Ca 0.17 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.71 1pn5 h MET 109 Cb 0.35 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.92 1pn5 h MET 109 CO 0.00 0.00 -1.75 0.39 -0.00 0.00 0.00 176.91 175.55 1pn5 n GLU 110 N -3.20 1.65 -0.17 -0.10 1.02 -0.67 -3.18 120.64 115.99 1pn5 n GLU 110 Ca -0.02 -0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.00 1pn5 n GLU 110 Cb 0.16 -1.30 0.05 0.00 -0.02 0.00 0.00 31.44 30.33 1pn5 n GLU 110 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1pn5 h VAL 111 N 0.00 1.26 0.36 2.62 2.07 -0.86 -2.78 116.25 118.92 1pn5 h VAL 111 Ca -0.24 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 1pn5 h VAL 111 Cb 1.44 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 1pn5 h VAL 111 CO 0.01 0.42 -0.42 0.00 0.02 0.00 0.00 177.57 177.60 1pn5 h ALA 112 N 1.03 -0.90 0.00 1.67 0.00 -1.06 0.62 119.26 120.63 1pn5 h ALA 112 Ca 0.15 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pn5 h ALA 112 Cb 0.60 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1pn5 h ALA 112 CO 0.04 -1.05 -0.02 0.66 0.00 0.00 0.00 179.25 178.88 1pn5 h SER 113 N -0.82 0.00 -0.04 0.00 4.64 -1.62 -1.80 113.55 113.91 1pn5 h SER 113 Ca -0.03 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 1pn5 h SER 113 Cb 0.75 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.84 1pn5 h SER 113 CO -0.10 0.02 -0.33 0.22 -0.87 0.00 0.00 176.83 175.77 1pn5 h TYR 114 N 0.00 0.41 -0.37 4.77 3.20 -1.11 -3.26 116.97 120.61 1pn5 h TYR 114 Ca -0.00 -0.20 -0.08 0.00 3.14 0.00 0.00 58.73 61.59 1pn5 h TYR 114 Cb 0.24 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1pn5 h TYR 114 CO 0.00 0.96 -0.09 1.25 -1.64 0.00 0.00 178.16 178.64 1pn5 h LEU 115 N -0.25 0.71 -0.51 2.82 5.85 -0.06 -0.31 115.31 123.56 1pn5 h LEU 115 Ca -0.03 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1pn5 h LEU 115 Cb 1.02 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1pn5 h LEU 115 CO 0.07 0.91 0.00 0.52 -0.34 0.00 0.00 178.44 179.59 1pn5 n VAL 116 N -4.39 1.12 0.83 1.05 0.31 -0.92 -1.38 118.33 114.95 1pn5 n VAL 116 Ca -0.02 0.38 0.10 0.00 -0.01 0.00 0.00 64.34 64.79 1pn5 n VAL 116 Cb 0.34 -1.28 0.04 0.00 -0.91 0.00 0.00 33.84 32.03 1pn5 n VAL 116 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pn5 n ALA 117 N -1.65 2.90 -0.07 3.52 0.00 -0.22 -2.82 120.51 122.18 1pn5 n ALA 117 Ca 0.01 -0.62 -0.08 0.00 0.00 0.00 0.00 53.44 52.75 1pn5 n ALA 117 Cb 0.13 -0.66 -0.09 0.00 0.00 0.00 0.00 19.45 18.83 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 0.51 1.33 0.00 0.00 1.13 -0.65 -4.87 117.38 114.83 1pn5 n GLN 118 Ca 0.10 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 1pn5 n GLN 118 Cb 0.44 -1.32 0.00 0.00 0.11 0.00 0.00 30.24 29.47 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 -2.67 0.00 -1.03 1.08 4.01 -0.48 -5.11 117.16 112.97 1pn5 n TYR 119 Ca -0.24 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.64 1pn5 n TYR 119 Cb 0.87 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.86 1pn5 n TYR 119 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pn5 n GLY 120 N 2.33 -1.92 0.31 2.72 0.00 -1.13 -4.56 105.19 102.95 1pn5 n GLY 120 Ca 0.00 -1.25 0.21 0.00 0.00 0.00 0.00 46.02 44.97 1pn5 n GLY 120 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pn5 h GLU 121 N -0.96 0.00 0.00 1.61 5.08 -1.90 -2.22 114.58 116.18 1pn5 h GLU 121 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pn5 h GLU 121 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1pn5 h GLU 121 CO 0.01 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.06 1pn5 n GLN 122 N -3.05 0.00 0.22 2.33 1.13 -1.26 -2.23 117.38 114.51 1pn5 n GLN 122 Ca -0.02 0.08 0.06 0.00 -1.94 0.00 0.00 57.00 55.18 1pn5 n GLN 122 Cb 0.16 -1.05 0.50 0.00 0.11 0.00 0.00 30.24 29.96 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 2.47 -1.82 0.13 114.38 114.08 1pn5 h ARG 123 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1pn5 h ARG 123 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1pn5 h ARG 123 CO 0.00 0.24 0.00 0.00 0.56 0.00 0.00 179.97 180.77 1pn5 n ALA 124 N -2.43 1.23 -0.04 0.04 0.00 -0.84 -0.62 120.51 117.86 1pn5 n ALA 124 Ca -0.02 0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.46 1pn5 n ALA 124 Cb 0.31 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 1pn5 n ALA 124 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1pn5 n TRP 125 N -2.10 0.00 -0.25 0.00 -0.00 -0.83 -4.41 117.44 109.85 1pn5 n TRP 125 Ca -0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.56 1pn5 n TRP 125 Cb 0.09 -0.30 0.18 0.00 -0.00 0.00 0.00 31.31 31.27 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 -0.31 -0.11 0.32 5.87 5.19 -0.73 0.28 116.42 126.94 1pn5 h ASP 126 Ca -0.21 0.17 -0.24 0.00 -0.62 0.00 0.00 57.03 56.13 1pn5 h ASP 126 Cb 1.17 0.25 0.01 0.00 0.18 0.00 0.00 39.33 40.94 1pn5 h ASP 126 CO -0.13 -0.10 -0.99 0.25 -3.12 0.00 0.00 179.24 175.16 1pn5 h LEU 127 N 0.20 0.58 -0.58 1.55 6.46 -1.06 -1.28 115.31 121.19 1pn5 h LEU 127 Ca 0.42 -0.48 -0.02 0.00 -0.12 0.00 0.00 57.88 57.68 1pn5 h LEU 127 Cb 0.75 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.48 1pn5 h LEU 127 CO -0.57 1.28 0.27 0.00 -0.62 0.00 0.00 178.44 178.80 1pn5 h ALA 128 N 0.68 0.74 -0.01 1.25 0.00 -1.22 0.13 119.26 120.84 1pn5 h ALA 128 Ca -0.09 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1pn5 h ALA 128 Cb 1.63 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1pn5 h ALA 128 CO 0.17 0.32 -0.12 -0.07 0.00 0.00 0.00 179.25 179.55 1pn5 h LEU 129 N 0.78 -0.35 -0.86 0.00 -0.00 -0.47 -2.14 115.31 112.28 1pn5 h LEU 129 Ca 0.20 0.05 0.10 0.00 -0.00 0.00 0.00 57.88 58.23 1pn5 h LEU 129 Cb 0.14 0.15 -0.08 0.00 -0.00 0.00 0.00 40.66 40.87 1pn5 h LEU 129 CO -0.02 -0.17 0.50 -0.74 -0.00 0.00 0.00 178.44 178.01 1pn5 h HIS 130 N -0.20 0.91 0.00 1.13 2.76 -0.83 -2.26 115.15 116.66 1pn5 h HIS 130 Ca 0.05 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 1pn5 h HIS 130 Cb 0.26 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 28.94 1pn5 h HIS 130 CO -0.18 0.36 -0.04 1.15 -1.30 0.00 0.00 177.93 177.93 1pn5 h THR 131 N 0.83 0.28 -0.61 6.26 2.02 -0.07 -0.12 112.91 121.49 1pn5 h THR 131 Ca 0.42 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 67.31 1pn5 h THR 131 Cb 0.40 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1pn5 h THR 131 CO -0.26 0.03 0.14 -0.25 0.37 0.00 0.00 175.52 175.56 1pn5 h TRP 132 N 0.00 1.04 -0.16 3.16 7.01 -1.15 -3.10 115.95 122.75 1pn5 h TRP 132 Ca -0.00 -0.13 0.04 0.00 2.11 0.00 0.00 58.89 60.91 1pn5 h TRP 132 Cb 0.17 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 1pn5 h TRP 132 CO 0.00 0.88 0.11 1.49 -2.79 0.00 0.00 178.44 178.13 1pn5 h GLU 133 N 0.90 0.04 0.38 2.65 4.81 -1.08 0.21 114.58 122.49 1pn5 h GLU 133 Ca 0.19 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1pn5 h GLU 133 Cb 0.37 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1pn5 h GLU 133 CO 0.00 0.02 -0.18 0.37 -0.73 0.00 0.00 179.01 178.49 1pn5 h GLN 134 N 0.04 -0.50 0.00 1.92 5.75 -1.67 -3.37 115.11 117.28 1pn5 h GLN 134 Ca 0.07 0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.58 1pn5 h GLN 134 Cb 0.24 0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.90 1pn5 h GLN 134 CO -0.00 -0.33 -0.12 0.52 -2.65 0.00 0.00 178.83 176.25 1pn5 h MET 135 N -0.84 0.00 0.00 1.69 2.86 -0.93 -3.47 114.93 114.24 1pn5 h MET 135 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1pn5 h MET 135 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1pn5 h MET 135 CO 0.09 0.12 0.00 0.41 1.06 0.00 0.00 176.91 178.59 1pn5 n GLY 136 N -0.32 0.77 3.58 8.32 0.00 0.55 -5.00 105.19 113.09 1pn5 n GLY 136 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1pn5 n GLY 136 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pn5 s LEU 137 N 0.00 3.67 0.21 0.99 2.01 -1.26 -4.82 118.68 119.49 1pn5 s LEU 137 Ca 0.00 -2.11 -0.10 0.00 0.01 0.00 0.00 54.13 51.93 1pn5 s LEU 137 Cb 0.00 -2.58 0.16 0.00 0.01 0.00 0.00 46.19 43.79 1pn5 s LEU 137 CO 0.00 -1.48 1.86 -0.09 1.01 0.00 0.00 176.35 177.66 1pn5 h ARG 138 N 8.36 1.06 -0.79 1.70 2.43 -1.94 -2.06 114.38 123.13 1pn5 h ARG 138 Ca 0.36 -0.09 0.19 0.00 -0.81 0.00 0.00 59.98 59.63 1pn5 h ARG 138 Cb 0.91 -0.22 -0.14 0.00 -0.42 0.00 0.00 29.97 30.10 1pn5 h ARG 138 CO 1.42 0.73 0.03 1.03 -1.51 0.00 0.00 179.97 181.68 1pn5 h SER 139 N 1.07 -0.33 0.38 -3.80 0.87 -2.00 -0.88 113.55 108.87 1pn5 h SER 139 Ca 0.28 0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 61.03 1pn5 h SER 139 Cb -0.06 0.35 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1pn5 h SER 139 CO -0.05 -0.19 -0.18 -0.07 -0.53 0.00 0.00 176.83 175.80 1pn5 h LEU 140 N 0.11 -0.43 -1.14 2.23 -0.00 -1.79 -2.07 115.31 112.22 1pn5 h LEU 140 Ca 0.44 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 58.19 1pn5 h LEU 140 Cb 0.81 0.11 -0.04 0.00 -0.00 0.00 0.00 40.66 41.54 1pn5 h LEU 140 CO -0.69 -0.04 0.51 0.00 -0.00 0.00 0.00 178.44 178.21 1pn5 h ALA 142 N 1.44 -1.02 -0.22 0.00 0.00 -1.25 -3.30 119.26 114.91 1pn5 h ALA 142 Ca 0.30 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1pn5 h ALA 142 Cb -0.08 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1pn5 h ALA 142 CO -0.06 -1.01 0.15 0.37 0.00 0.00 0.00 179.25 178.71 1pn5 h GLN 143 N -0.29 0.17 0.00 0.00 4.15 -0.93 0.64 115.11 118.85 1pn5 h GLN 143 Ca -0.03 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1pn5 h GLN 143 Cb 0.23 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1pn5 h GLN 143 CO 0.04 0.11 0.00 0.00 -1.93 0.00 0.00 178.83 177.05 1pn5 n ALA 144 N -2.53 1.34 -0.15 3.38 0.00 0.49 -4.25 120.51 118.79 1pn5 n ALA 144 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1pn5 n ALA 144 Cb 0.17 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1pn5 n ALA 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pn5 n GLN 145 N -1.41 0.00 -1.80 0.00 6.02 -0.16 -5.03 117.38 114.99 1pn5 n GLN 145 Ca 0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.94 1pn5 n GLN 145 Cb 0.06 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.32 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 -2.28 -0.39 -0.22 -1.09 1.02 0.04 -2.48 120.64 115.23 1pn5 n GLU 146 Ca 0.00 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 1pn5 n GLU 146 Cb 0.00 -0.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 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 0.46 0.96 3.55 0.62 0.00 -1.26 -5.01 105.19 104.51 1pn5 n GLY 147 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1pn5 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn5 s ALA 148 N -2.63 2.06 0.00 4.61 0.00 -1.04 -4.78 121.76 119.98 1pn5 s ALA 148 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1pn5 s ALA 148 Cb 0.00 -4.36 0.00 0.00 0.00 0.00 0.00 23.12 18.76 1pn5 s ALA 148 CO 0.00 -4.11 0.63 0.41 0.00 0.00 0.00 175.76 172.69 1pn5 n GLY 149 N 5.96 0.29 0.13 0.00 0.00 -1.26 -4.98 105.19 105.33 1pn5 n GLY 149 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.18 0.00 -1.58 1.61 -0.00 -1.26 -5.27 115.22 108.53 1pn5 n HIS 150 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1pn5 n HIS 150 Cb 0.17 -0.41 0.00 0.00 -0.12 0.00 0.00 29.99 29.64 1pn5 n HIS 150 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25