#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 3.01 1.00 3.17 0.00 -1.26 -4.70 121.76 122.98 1pn5 s ALA 60 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.00 1pn5 s ALA 60 Cb 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1pn5 s ALA 60 CO 0.00 -1.44 0.00 0.41 0.00 0.00 0.00 175.76 174.73 1pn5 n GLY 61 N 4.71 -3.02 0.29 0.00 0.00 -1.26 -4.90 105.19 101.00 1pn5 n GLY 61 Ca -0.10 -1.35 0.05 0.00 0.00 0.00 0.00 46.02 44.62 1pn5 n GLY 61 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pn5 h GLY 62 N -0.70 1.20 -4.15 -0.02 0.00 -1.99 -3.40 103.07 94.01 1pn5 h GLY 62 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 1pn5 h GLY 62 CO 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 176.54 176.58 1pn5 n ALA 63 N -2.45 -1.73 0.10 3.60 0.00 -1.26 -5.03 120.51 113.73 1pn5 n ALA 63 Ca 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1pn5 n ALA 63 Cb 0.38 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.38 -1.68 0.00 0.00 4.27 -1.26 -4.83 117.44 113.55 1pn5 n TRP 64 Ca -0.15 0.30 0.00 0.00 -3.89 0.00 0.00 57.50 53.76 1pn5 n TRP 64 Cb 0.60 0.52 0.00 0.00 -1.36 0.00 0.00 31.31 31.07 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 1.68 1.51 0.25 -1.67 0.00 -1.26 -3.02 105.19 102.69 1pn5 n GLY 65 Ca 0.00 0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.22 1pn5 n GLY 65 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pn5 h ARG 66 N 0.00 0.00 -0.77 1.61 2.43 -1.99 -3.33 114.38 112.33 1pn5 h ARG 66 Ca 0.00 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.31 1pn5 h ARG 66 Cb 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.45 1pn5 h ARG 66 CO 0.00 0.00 0.32 -0.07 -1.51 0.00 0.00 179.97 178.71 1pn5 h LEU 67 N 0.00 0.31 -1.17 3.80 3.38 -1.96 0.53 115.31 120.20 1pn5 h LEU 67 Ca 0.00 0.11 0.21 0.00 0.09 0.00 0.00 57.88 58.29 1pn5 h LEU 67 Cb 0.31 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.04 1pn5 h LEU 67 CO 0.00 0.11 0.62 0.00 0.09 0.00 0.00 178.44 179.26 1pn5 h ALA 68 N 1.55 1.89 -0.64 1.53 0.00 -1.86 -2.32 119.26 119.42 1pn5 h ALA 68 Ca 0.42 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.42 1pn5 h ALA 68 Cb 0.64 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1pn5 h ALA 68 CO -0.40 -0.27 0.41 0.00 0.00 0.00 0.00 179.25 178.99 1pn5 h TYR 70 N 0.84 0.00 -0.46 0.00 -1.99 -1.50 -2.63 116.97 111.23 1pn5 h TYR 70 Ca 0.24 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.97 1pn5 h TYR 70 Cb -0.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.66 1pn5 h TYR 70 CO -0.04 0.19 0.00 1.28 -0.00 0.00 0.00 178.16 179.59 1pn5 n LEU 71 N -3.78 2.66 -0.00 3.88 4.77 0.00 -4.04 117.00 120.49 1pn5 n LEU 71 Ca -0.02 -1.29 0.04 0.00 -0.03 0.00 0.00 56.01 54.71 1pn5 n LEU 71 Cb 0.30 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.01 1pn5 n LEU 71 CO 0.33 0.65 -0.58 -0.62 -1.33 0.00 0.00 177.39 175.83 1pn5 n GLU 72 N 0.95 0.39 0.16 3.23 -0.58 -0.63 -4.30 120.64 119.86 1pn5 n GLU 72 Ca 0.17 -0.08 -0.14 0.00 -0.42 0.00 0.00 57.16 56.70 1pn5 n GLU 72 Cb 0.43 -1.20 -0.08 0.00 -0.57 0.00 0.00 31.44 30.03 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 0.00 -0.37 -3.95 -0.32 -5.15 -1.70 -3.43 116.94 102.02 1pn5 h PHE 73 Ca 0.00 -0.01 -0.47 0.00 -0.20 0.00 0.00 57.97 57.29 1pn5 h PHE 73 Cb 0.39 0.12 -0.01 0.00 0.22 0.00 0.00 35.95 36.67 1pn5 h PHE 73 CO 0.00 -0.08 0.25 -0.48 -2.00 0.00 0.00 178.31 176.00 1pn5 s LEU 74 N -9.68 3.89 0.00 2.10 2.34 -1.26 -5.10 118.68 110.97 1pn5 s LEU 74 Ca -0.15 1.48 0.00 0.00 0.06 0.00 0.00 54.13 55.52 1pn5 s LEU 74 Cb 0.03 -4.34 0.00 0.00 -0.56 0.00 0.00 46.19 41.32 1pn5 s LEU 74 CO 0.58 -0.37 0.01 0.29 -1.06 0.00 0.00 176.35 175.80 1pn5 n LYS 75 N -0.86 1.11 -0.43 1.48 5.02 -1.26 -4.79 118.16 118.42 1pn5 n LYS 75 Ca 0.05 -2.66 0.37 0.00 -2.02 0.00 0.00 58.31 54.06 1pn5 n LYS 75 Cb 0.54 0.70 0.65 0.00 -0.02 0.00 0.00 35.03 36.89 1pn5 n LYS 75 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1pn5 h LYS 76 N 0.00 0.03 -0.17 1.97 -0.00 -1.91 0.12 116.57 116.61 1pn5 h LYS 76 Ca -0.30 -0.00 0.01 0.00 -0.00 0.00 0.00 60.65 60.36 1pn5 h LYS 76 Cb 0.92 -0.01 -0.02 0.00 -0.00 0.00 0.00 32.23 33.12 1pn5 h LYS 76 CO 0.50 0.02 -0.10 0.39 -0.00 0.00 0.00 179.45 180.26 1pn5 n GLU 77 N -4.85 -0.07 0.00 0.07 1.02 -1.26 -1.21 120.64 114.33 1pn5 n GLU 77 Ca 0.39 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 1pn5 n GLU 77 Cb 1.47 -0.51 0.00 0.00 -0.02 0.00 0.00 31.44 32.38 1pn5 n GLU 77 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1pn5 n GLU 78 N -3.58 1.58 0.33 3.49 4.71 -0.42 -4.48 120.64 122.27 1pn5 n GLU 78 Ca 0.00 0.00 0.21 0.00 -0.01 0.00 0.00 57.16 57.37 1pn5 n GLU 78 Cb 0.04 -0.88 1.14 0.00 -1.01 0.00 0.00 31.44 30.73 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 0.00 0.16 -4.62 7.12 -0.81 0.20 115.31 117.36 1pn5 h LEU 79 Ca 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 1pn5 h LEU 79 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1pn5 h LEU 79 CO 0.00 0.00 -0.08 0.50 -0.13 0.00 0.00 178.44 178.74 1pn5 h LYS 80 N 0.00 -0.21 -0.48 1.25 1.63 -1.37 -3.26 116.57 114.13 1pn5 h LYS 80 Ca -0.00 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.90 1pn5 h LYS 80 Cb 0.04 0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 31.65 1pn5 h LYS 80 CO 0.00 0.18 0.05 0.93 -3.45 0.00 0.00 179.45 177.16 1pn5 h GLU 81 N -0.94 0.17 0.14 1.90 5.08 -1.49 -2.55 114.58 116.89 1pn5 h GLU 81 Ca -0.02 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1pn5 h GLU 81 Cb 0.48 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1pn5 h GLU 81 CO 0.04 0.11 -0.50 0.35 -1.00 0.00 0.00 179.01 178.00 1pn5 h PHE 82 N 0.17 -1.46 -0.03 4.33 3.04 -1.17 0.18 116.94 122.01 1pn5 h PHE 82 Ca 0.24 0.04 0.01 0.00 3.98 0.00 0.00 57.97 62.24 1pn5 h PHE 82 Cb 0.34 0.62 -0.00 0.00 2.56 0.00 0.00 35.95 39.47 1pn5 h PHE 82 CO -0.26 -0.58 0.03 -0.56 -2.02 0.00 0.00 178.31 174.93 1pn5 h GLN 83 N -0.74 0.00 0.00 1.11 3.07 -1.53 -0.71 115.11 116.31 1pn5 h GLN 83 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.68 1pn5 h GLN 83 Cb 0.73 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.28 1pn5 h GLN 83 CO -0.26 0.00 -0.38 1.37 0.09 0.00 0.00 178.83 179.65 1pn5 h LEU 84 N 0.00 0.00 -2.08 0.06 8.10 -0.95 -2.99 115.31 117.45 1pn5 h LEU 84 Ca 0.01 -0.40 0.07 0.00 0.11 0.00 0.00 57.88 57.68 1pn5 h LEU 84 Cb 0.08 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.29 1pn5 h LEU 84 CO -0.00 0.91 0.21 -0.07 -4.11 0.00 0.00 178.44 175.38 1pn5 h LEU 85 N -1.00 0.00 0.18 0.17 3.38 -0.50 -0.69 115.31 116.85 1pn5 h LEU 85 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1pn5 h LEU 85 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1pn5 h LEU 85 CO -0.05 0.00 -0.09 0.25 0.09 0.00 0.00 178.44 178.65 1pn5 h LEU 86 N 0.00 -0.21 -0.84 1.67 6.46 -1.23 -2.52 115.31 118.64 1pn5 h LEU 86 Ca 0.12 -0.30 -0.04 0.00 -0.12 0.00 0.00 57.88 57.54 1pn5 h LEU 86 Cb 0.54 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.48 1pn5 h LEU 86 CO -0.00 0.24 0.33 0.00 -0.62 0.00 0.00 178.44 178.39 1pn5 h ALA 87 N -0.05 1.08 -0.62 1.25 0.00 -1.15 0.14 119.26 119.91 1pn5 h ALA 87 Ca -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1pn5 h ALA 87 Cb 0.50 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1pn5 h ALA 87 CO 0.04 0.66 0.29 -0.91 0.00 0.00 0.00 179.25 179.33 1pn5 h ASN 88 N 1.16 0.80 -0.18 0.00 2.35 -1.20 0.12 115.58 118.64 1pn5 h ASN 88 Ca 0.27 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 1pn5 h ASN 88 Cb 0.19 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1pn5 h ASN 88 CO -0.02 0.69 -0.12 0.50 -1.65 0.00 0.00 177.43 176.83 1pn5 h LYS 89 N 0.88 0.39 -0.52 0.81 1.63 -0.98 -3.31 116.57 115.47 1pn5 h LYS 89 Ca 0.22 -0.19 -0.07 0.00 -0.85 0.00 0.00 60.65 59.76 1pn5 h LYS 89 Cb 0.11 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.72 1pn5 h LYS 89 CO -0.03 0.72 0.04 0.00 -3.45 0.00 0.00 179.45 176.74 1pn5 h ALA 90 N 0.66 0.69 0.00 5.00 0.00 -0.41 -3.49 119.26 121.71 1pn5 h ALA 90 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1pn5 h ALA 90 Cb 0.62 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1pn5 h ALA 90 CO 0.03 0.47 0.00 -2.39 0.00 0.00 0.00 179.25 177.36 1pn5 n HIS 91 N -4.34 0.00 -0.74 0.00 1.44 0.38 -4.75 115.22 107.20 1pn5 n HIS 91 Ca 0.01 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.40 1pn5 n HIS 91 Cb 0.29 0.00 0.14 0.00 0.12 0.00 0.00 29.99 30.54 1pn5 n HIS 91 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1pn5 n SER 92 N -2.19 -2.31 0.14 4.39 7.64 -1.26 -4.95 113.62 115.09 1pn5 n SER 92 Ca 0.00 0.11 0.13 0.00 1.01 0.00 0.00 58.87 60.12 1pn5 n SER 92 Cb 0.00 -1.07 0.46 0.00 -1.01 0.00 0.00 64.21 62.59 1pn5 n SER 92 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1pn5 h ARG 93 N -1.79 0.00 -4.22 1.43 2.43 -2.04 -3.45 114.38 106.74 1pn5 h ARG 93 Ca -0.48 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 58.52 1pn5 h ARG 93 Cb 1.32 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 30.74 1pn5 h ARG 93 CO 0.36 0.00 -0.44 0.45 -1.51 0.00 0.00 179.97 178.83 1pn5 s SER 94 N -4.61 0.08 0.00 -3.80 0.15 -1.26 -5.11 113.70 99.14 1pn5 s SER 94 Ca 0.06 -1.18 0.00 0.00 0.70 0.00 0.00 55.95 55.53 1pn5 s SER 94 Cb 0.10 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1pn5 s SER 94 CO 0.50 -0.93 0.90 -0.24 1.20 0.00 0.00 173.24 174.66 1pn5 n SER 95 N -0.29 0.00 0.00 5.45 2.88 -1.26 -4.90 113.62 115.51 1pn5 n SER 95 Ca -0.01 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 1pn5 n SER 95 Cb 0.64 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1pn5 n SER 95 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1pn5 n SER 96 N -2.38 -0.86 -0.03 -3.46 7.64 -1.26 -4.87 113.62 108.40 1pn5 n SER 96 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1pn5 n SER 96 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.69 3.80 0.23 0.00 -1.26 -5.15 105.19 103.49 1pn5 n GLY 97 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 2.25 0.30 1.61 2.02 -1.26 -4.99 118.70 118.63 1pn5 s GLU 98 Ca 0.00 0.80 -0.28 0.00 0.02 0.00 0.00 54.97 55.51 1pn5 s GLU 98 Cb 0.00 -1.92 -0.09 0.00 0.10 0.00 0.00 34.13 32.21 1pn5 s GLU 98 CO 0.00 -1.54 0.99 0.99 0.02 0.00 0.00 175.26 175.72 1pn5 s THR 99 N -3.08 3.93 0.88 3.63 2.01 -1.26 -5.02 115.64 116.73 1pn5 s THR 99 Ca 0.60 1.76 -0.12 0.00 0.31 0.00 0.00 61.69 64.25 1pn5 s THR 99 Cb -0.15 -4.05 0.12 0.00 0.01 0.00 0.00 72.50 68.43 1pn5 s THR 99 CO 0.55 0.29 1.10 -2.16 -0.69 0.00 0.00 174.62 173.71 1pn5 s PRO 100 N -1.70 1.39 0.19 4.92 0.04 -1.26 -5.08 135.00 133.51 1pn5 s PRO 100 Ca 0.47 0.62 -0.13 0.00 0.04 0.00 0.00 61.00 62.01 1pn5 s PRO 100 Cb -0.25 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1pn5 s PRO 100 CO 0.31 -2.10 0.41 0.00 0.04 0.00 0.00 177.00 175.66 1pn5 s ALA 101 N -3.07 -0.37 0.02 8.56 0.00 -1.26 -5.18 121.76 120.45 1pn5 s ALA 101 Ca 0.63 -0.66 -0.00 0.00 0.00 0.00 0.00 51.96 51.93 1pn5 s ALA 101 Cb -0.16 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 1pn5 s ALA 101 CO 0.55 -0.75 -0.03 1.14 0.00 0.00 0.00 175.76 176.68 1pn5 s GLN 102 N -3.95 0.30 0.00 0.00 -2.07 -1.26 -5.02 119.66 107.66 1pn5 s GLN 102 Ca 0.16 -0.59 0.00 0.00 -1.82 0.00 0.00 55.36 53.11 1pn5 s GLN 102 Cb 0.01 0.11 0.00 0.00 -1.09 0.00 0.00 33.01 32.04 1pn5 s GLN 102 CO 0.01 -0.05 0.00 -0.35 -1.32 0.00 0.00 175.29 173.58 1pn5 n PRO 103 N 1.65 0.38 -3.04 9.60 -0.04 -1.26 -5.02 135.00 137.27 1pn5 n PRO 103 Ca -0.24 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.88 1pn5 n PRO 103 Cb 0.55 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.99 1pn5 n PRO 103 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1pn5 n GLU 104 N -0.64 3.82 -3.59 0.54 -0.58 -1.26 -4.98 120.64 113.94 1pn5 n GLU 104 Ca 0.00 -4.69 -0.15 0.00 -0.42 0.00 0.00 57.16 51.91 1pn5 n GLU 104 Cb 0.00 -2.37 -0.13 0.00 -0.57 0.00 0.00 31.44 28.37 1pn5 n GLU 104 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1pn5 s LYS 105 N -3.16 0.17 0.00 3.49 -0.14 -1.26 -5.05 119.74 113.79 1pn5 s LYS 105 Ca 0.39 0.57 0.00 0.00 -1.36 0.00 0.00 55.97 55.58 1pn5 s LYS 105 Cb 0.16 -0.40 0.00 0.00 -1.68 0.00 0.00 37.83 35.91 1pn5 s LYS 105 CO -0.03 -0.41 0.77 -2.37 -0.76 0.00 0.00 175.35 172.54 1pn5 n THR 106 N 5.34 0.00 -5.07 2.17 5.66 -1.26 -4.88 114.28 116.24 1pn5 n THR 106 Ca -0.06 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.62 1pn5 n THR 106 Cb 0.50 0.44 -0.14 0.00 -1.55 0.00 0.00 70.33 69.57 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 -0.59 3.59 0.19 1.09 0.01 -1.26 -4.84 113.70 111.90 1pn5 s SER 107 Ca 0.00 -0.32 -0.20 0.00 1.31 0.00 0.00 55.95 56.73 1pn5 s SER 107 Cb 0.00 -0.68 0.14 0.00 0.21 0.00 0.00 66.02 65.69 1pn5 s SER 107 CO 0.00 0.32 1.58 1.23 0.41 0.00 0.00 173.24 176.78 1pn5 h GLY 108 N 5.49 -0.10 2.00 3.44 0.00 -1.89 -0.19 103.07 111.82 1pn5 h GLY 108 Ca -0.44 0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 1pn5 h GLY 108 CO 0.49 -0.20 -0.20 0.00 0.00 0.00 0.00 176.54 176.63 1pn5 h MET 109 N -0.14 0.00 0.00 4.80 -0.00 -1.91 -0.93 114.93 116.76 1pn5 h MET 109 Ca 0.25 0.00 -0.22 0.00 -0.00 0.00 0.00 59.70 59.73 1pn5 h MET 109 Cb 0.56 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.12 1pn5 h MET 109 CO -0.74 0.20 -1.35 0.93 -0.00 0.00 0.00 176.91 175.95 1pn5 h GLU 110 N 0.00 0.00 -0.33 -0.10 4.39 -1.51 -2.95 114.58 114.09 1pn5 h GLU 110 Ca -0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 1pn5 h GLU 110 Cb 0.41 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1pn5 h GLU 110 CO 0.03 0.55 -0.27 0.28 -1.16 0.00 0.00 179.01 178.44 1pn5 h VAL 111 N 0.00 1.28 0.47 3.13 2.07 -0.78 -3.10 116.25 119.32 1pn5 h VAL 111 Ca -0.16 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 65.96 1pn5 h VAL 111 Cb 1.79 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1pn5 h VAL 111 CO 0.08 0.45 -0.24 0.00 0.02 0.00 0.00 177.57 177.87 1pn5 h ALA 112 N 1.13 -0.66 0.00 1.67 0.00 -1.20 0.14 119.26 120.33 1pn5 h ALA 112 Ca 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1pn5 h ALA 112 Cb 0.76 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1pn5 h ALA 112 CO 0.06 -0.87 -0.04 0.66 0.00 0.00 0.00 179.25 179.05 1pn5 h SER 113 N -0.66 0.00 0.32 0.00 4.64 -1.60 -0.72 113.55 115.52 1pn5 h SER 113 Ca -0.06 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.99 1pn5 h SER 113 Cb 0.52 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.62 1pn5 h SER 113 CO 0.09 0.04 -1.16 0.22 -0.87 0.00 0.00 176.83 175.15 1pn5 h TYR 114 N 0.00 0.77 -0.11 4.77 3.20 -1.35 -2.89 116.97 121.36 1pn5 h TYR 114 Ca -0.00 -0.48 -0.24 0.00 3.14 0.00 0.00 58.73 61.15 1pn5 h TYR 114 Cb 0.12 -0.06 0.01 0.00 1.54 0.00 0.00 36.73 38.34 1pn5 h TYR 114 CO 0.00 1.34 -0.85 1.25 -1.64 0.00 0.00 178.16 178.25 1pn5 h LEU 115 N 0.21 0.94 -1.62 2.82 5.85 0.35 -0.37 115.31 123.49 1pn5 h LEU 115 Ca -0.14 -0.65 -0.04 0.00 0.84 0.00 0.00 57.88 57.88 1pn5 h LEU 115 Cb 1.84 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 1pn5 h LEU 115 CO 0.21 1.46 -0.20 0.58 -0.34 0.00 0.00 178.44 180.15 1pn5 h VAL 116 N 0.51 0.78 -0.23 1.05 2.07 -1.32 -1.61 116.25 117.49 1pn5 h VAL 116 Ca -0.07 -0.80 -0.15 0.00 0.82 0.00 0.00 66.70 66.49 1pn5 h VAL 116 Cb 1.49 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1pn5 h VAL 116 CO 0.17 0.20 -0.46 0.00 0.02 0.00 0.00 177.57 177.50 1pn5 h ALA 117 N 1.80 0.36 -0.32 1.67 0.00 -1.18 -1.23 119.26 120.36 1pn5 h ALA 117 Ca -0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1pn5 h ALA 117 Cb 0.47 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1pn5 h ALA 117 CO 0.03 0.51 0.19 1.96 0.00 0.00 0.00 179.25 181.93 1pn5 h GLN 118 N 0.43 0.44 0.00 0.00 1.08 -0.76 -3.43 115.11 112.88 1pn5 h GLN 118 Ca 0.01 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1pn5 h GLN 118 Cb 1.06 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 1pn5 h GLN 118 CO 0.10 0.35 0.00 0.66 -0.95 0.00 0.00 178.83 178.99 1pn5 n TYR 119 N -4.82 -0.28 0.00 2.96 4.01 -0.64 -5.10 117.16 113.30 1pn5 n TYR 119 Ca -0.01 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1pn5 n TYR 119 Cb 0.06 0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 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 3.15 2.08 0.27 2.72 0.00 -0.47 -4.94 105.19 108.02 1pn5 n GLY 120 Ca 0.00 -2.16 -0.00 0.00 0.00 0.00 0.00 46.02 43.85 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 0.00 -0.02 0.00 1.61 5.08 -1.88 -0.59 114.58 118.78 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 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1pn5 h GLU 121 CO 0.00 -0.02 0.00 1.04 -1.00 0.00 0.00 179.01 179.03 1pn5 n GLN 122 N -5.46 0.00 0.24 2.33 6.02 -1.26 -2.00 117.38 117.25 1pn5 n GLN 122 Ca 0.08 0.48 0.12 0.00 -0.01 0.00 0.00 57.00 57.68 1pn5 n GLN 122 Cb 0.35 -1.39 0.52 0.00 1.02 0.00 0.00 30.24 30.74 1pn5 n GLN 122 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pn5 h ARG 123 N 0.00 0.00 0.00 -1.09 -0.00 -1.91 0.30 114.38 111.68 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 -0.99 -2.62 119.26 118.56 1pn5 h ALA 124 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1pn5 h ALA 124 Cb 0.68 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1pn5 h ALA 124 CO 0.02 0.00 -1.57 1.87 0.00 0.00 0.00 179.25 179.57 1pn5 n TRP 125 N -2.69 0.00 -0.19 0.00 -0.00 -0.48 -4.32 117.44 109.76 1pn5 n TRP 125 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.49 1pn5 n TRP 125 Cb 0.13 -0.40 0.10 0.00 -0.00 0.00 0.00 31.31 31.14 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 -0.41 -0.15 0.20 5.87 3.58 -0.56 0.14 116.42 125.08 1pn5 h ASP 126 Ca -0.28 0.13 -0.14 0.00 0.42 0.00 0.00 57.03 57.17 1pn5 h ASP 126 Cb 1.21 0.22 -0.01 0.00 1.72 0.00 0.00 39.33 42.46 1pn5 h ASP 126 CO -0.17 -0.06 -0.52 0.25 -2.88 0.00 0.00 179.24 175.87 1pn5 h LEU 127 N 0.17 0.39 -0.23 2.28 6.46 -1.68 -2.45 115.31 120.25 1pn5 h LEU 127 Ca 0.31 -0.20 -0.04 0.00 -0.12 0.00 0.00 57.88 57.83 1pn5 h LEU 127 Cb 0.48 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1pn5 h LEU 127 CO -0.46 0.84 -0.01 0.00 -0.62 0.00 0.00 178.44 178.18 1pn5 h ALA 128 N 1.17 0.31 -0.43 1.25 0.00 -1.30 -1.51 119.26 118.76 1pn5 h ALA 128 Ca 0.01 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1pn5 h ALA 128 Cb 1.00 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1pn5 h ALA 128 CO 0.09 0.05 0.05 -0.07 0.00 0.00 0.00 179.25 179.36 1pn5 h LEU 129 N 0.17 -0.08 -0.22 0.00 4.07 -0.59 0.09 115.31 118.75 1pn5 h LEU 129 Ca 0.06 0.09 0.05 0.00 0.08 0.00 0.00 57.88 58.16 1pn5 h LEU 129 Cb 0.43 0.14 -0.06 0.00 1.08 0.00 0.00 40.66 42.25 1pn5 h LEU 129 CO 0.01 -0.01 -0.16 -0.74 -1.08 0.00 0.00 178.44 176.47 1pn5 h HIS 130 N 0.17 -0.40 0.00 1.13 -0.00 -1.35 -2.88 115.15 111.81 1pn5 h HIS 130 Ca 0.21 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.57 1pn5 h HIS 130 Cb 0.28 0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.90 1pn5 h HIS 130 CO -0.24 -0.23 -0.17 1.15 -0.00 0.00 0.00 177.93 178.44 1pn5 h THR 131 N -0.16 0.77 -0.21 6.26 2.02 0.03 -0.61 112.91 121.00 1pn5 h THR 131 Ca 0.13 -0.68 -0.08 0.00 0.77 0.00 0.00 66.41 66.54 1pn5 h THR 131 Cb 0.35 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1pn5 h THR 131 CO -0.31 0.17 -0.23 -0.50 0.37 0.00 0.00 175.52 175.02 1pn5 h TRP 132 N 0.00 0.43 0.00 3.16 -0.00 -0.86 -2.05 115.95 116.64 1pn5 h TRP 132 Ca -0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 58.89 58.81 1pn5 h TRP 132 Cb 0.40 -0.11 0.00 0.00 -0.00 0.00 0.00 29.16 29.45 1pn5 h TRP 132 CO 0.00 0.60 0.00 1.49 -0.00 0.00 0.00 178.44 180.53 1pn5 h GLU 133 N 0.35 0.00 0.00 0.49 4.57 -1.04 -0.66 114.58 118.29 1pn5 h GLU 133 Ca 0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1pn5 h GLU 133 Cb 0.60 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 1pn5 h GLU 133 CO 0.04 0.00 -0.02 1.96 -1.18 0.00 0.00 179.01 179.81 1pn5 h GLN 134 N 0.00 0.00 0.00 1.92 1.08 -1.32 -3.31 115.11 113.48 1pn5 h GLN 134 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1pn5 h GLN 134 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1pn5 h GLN 134 CO 0.00 0.00 -0.52 -1.33 -0.95 0.00 0.00 178.83 176.03 1pn5 n MET 135 N -2.72 3.67 -1.85 1.46 2.81 -0.56 -5.03 117.12 114.89 1pn5 n MET 135 Ca 0.05 -0.01 -0.02 0.00 -1.81 0.00 0.00 57.70 55.90 1pn5 n MET 135 Cb 0.49 -0.95 -0.00 0.00 -0.71 0.00 0.00 33.22 32.04 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 1.29 0.33 3.44 3.03 0.00 -0.36 -4.98 105.19 107.94 1pn5 n GLY 136 Ca 0.01 -0.83 -0.44 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.62 5.24 0.21 0.99 2.01 -1.17 -4.88 118.68 120.45 1pn5 s LEU 137 Ca 0.00 -2.94 -0.09 0.00 0.01 0.00 0.00 54.13 51.11 1pn5 s LEU 137 Cb 0.00 -2.37 0.28 0.00 0.01 0.00 0.00 46.19 44.10 1pn5 s LEU 137 CO 0.00 -0.73 1.76 0.03 1.01 0.00 0.00 176.35 178.42 1pn5 h ARG 138 N 7.33 0.45 0.00 1.70 3.08 -1.94 -1.94 114.38 123.06 1pn5 h ARG 138 Ca 0.28 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 1pn5 h ARG 138 Cb 0.90 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.84 1pn5 h ARG 138 CO 1.19 0.30 -0.10 0.66 -1.07 0.00 0.00 179.97 180.95 1pn5 h SER 139 N 0.47 0.00 0.31 7.04 4.64 -1.98 0.16 113.55 124.19 1pn5 h SER 139 Ca 0.31 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.61 1pn5 h SER 139 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1pn5 h SER 139 CO -0.28 0.10 -0.15 -0.07 -0.87 0.00 0.00 176.83 175.56 1pn5 h LEU 140 N 0.00 -0.35 -0.61 5.97 3.38 -1.77 -0.73 115.31 121.19 1pn5 h LEU 140 Ca -0.00 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.84 1pn5 h LEU 140 Cb 0.20 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1pn5 h LEU 140 CO 0.01 0.06 0.32 0.00 0.09 0.00 0.00 178.44 178.92 1pn5 h ALA 142 N 1.33 -1.17 -0.90 0.00 0.00 -0.71 -2.94 119.26 114.87 1pn5 h ALA 142 Ca 0.27 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1pn5 h ALA 142 Cb 0.18 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 1pn5 h ALA 142 CO -0.18 -1.09 0.58 1.96 0.00 0.00 0.00 179.25 180.52 1pn5 h GLN 143 N -1.19 0.88 0.00 0.00 4.20 -1.12 0.13 115.11 118.01 1pn5 h GLN 143 Ca -0.11 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1pn5 h GLN 143 Cb 0.83 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.41 1pn5 h GLN 143 CO 0.18 0.58 0.00 0.00 -0.67 0.00 0.00 178.83 178.92 1pn5 n ALA 144 N -2.40 1.88 0.00 3.87 0.00 -0.62 -2.77 120.51 120.47 1pn5 n ALA 144 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1pn5 n ALA 144 Cb 0.30 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.70 3.86 -2.55 0.00 6.02 0.26 -3.99 117.38 120.27 1pn5 n GLN 145 Ca 0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.59 1pn5 n GLN 145 Cb 0.02 -0.36 0.00 0.00 1.02 0.00 0.00 30.24 30.91 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 -0.09 3.22 -0.75 -1.09 1.02 0.01 -4.17 120.64 118.79 1pn5 n GLU 146 Ca 0.00 -3.35 0.00 0.00 -0.02 0.00 0.00 57.16 53.79 1pn5 n GLU 146 Cb 0.00 -3.32 0.00 0.00 -0.02 0.00 0.00 31.44 28.10 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 4.75 0.68 0.00 0.62 0.00 -1.26 -4.81 105.19 105.17 1pn5 n GLY 147 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 0.25 0.33 -0.59 4.61 0.00 -1.26 -5.07 120.51 118.78 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 1.09 1.07 2.01 0.00 0.00 -1.26 -3.86 105.19 104.24 1pn5 n GLY 149 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 -1.11 -0.54 1.61 -0.00 -1.26 -4.91 115.22 109.01 1pn5 n HIS 150 Ca 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 1pn5 n HIS 150 Cb 0.00 0.68 0.00 0.00 -0.00 0.00 0.00 29.99 30.67 1pn5 n HIS 150 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79