#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 3.47 0.00 3.04 0.00 -1.26 -4.52 121.76 122.50 1pn5 s ALA 60 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1pn5 s ALA 60 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1pn5 s ALA 60 CO 0.00 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1pn5 n GLY 61 N 1.56 1.16 0.00 0.00 0.00 -1.26 -4.86 105.19 101.79 1pn5 n GLY 61 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 1.64 3.42 -0.02 0.00 -1.26 -4.99 105.19 103.98 1pn5 n GLY 62 Ca 0.00 -0.64 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.65 -2.35 4.61 0.00 -1.26 -4.81 120.51 114.04 1pn5 n ALA 63 Ca 0.00 0.10 -0.24 0.00 0.00 0.00 0.00 53.44 53.30 1pn5 n ALA 63 Cb 0.00 -1.61 -0.03 0.00 0.00 0.00 0.00 19.45 17.81 1pn5 n ALA 63 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1pn5 s TRP 64 N -2.65 2.22 0.00 0.00 0.52 -1.26 -4.65 118.94 113.12 1pn5 s TRP 64 Ca 0.11 -0.67 0.00 0.00 0.02 0.00 0.00 56.10 55.56 1pn5 s TRP 64 Cb -0.02 -2.00 0.00 0.00 -1.15 0.00 0.00 33.47 30.30 1pn5 s TRP 64 CO 0.84 -0.19 0.00 0.41 0.02 0.00 0.00 176.95 178.03 1pn5 n GLY 65 N -1.56 2.34 0.39 0.98 0.00 -1.26 -3.87 105.19 102.22 1pn5 n GLY 65 Ca -0.00 -0.06 0.20 0.00 0.00 0.00 0.00 46.02 46.16 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 0.15 0.40 1.61 2.43 -1.99 0.39 114.38 117.37 1pn5 h ARG 66 Ca 0.00 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1pn5 h ARG 66 Cb 0.00 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1pn5 h ARG 66 CO 0.00 0.10 -0.19 1.25 -1.51 0.00 0.00 179.97 179.62 1pn5 h LEU 67 N 0.16 -0.45 -2.46 3.80 6.46 -1.83 -3.37 115.31 117.63 1pn5 h LEU 67 Ca 0.33 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 58.10 1pn5 h LEU 67 Cb 1.07 0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 41.12 1pn5 h LEU 67 CO -0.05 -0.14 -0.01 0.00 -0.62 0.00 0.00 178.44 177.62 1pn5 h ALA 68 N -1.39 1.06 -0.86 1.25 0.00 -1.56 -2.67 119.26 115.09 1pn5 h ALA 68 Ca -0.05 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.02 1pn5 h ALA 68 Cb 0.41 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.09 1pn5 h ALA 68 CO 0.09 0.02 0.41 0.00 0.00 0.00 0.00 179.25 179.76 1pn5 h TYR 70 N 0.51 0.29 -0.01 0.00 -1.99 -1.70 -3.20 116.97 110.86 1pn5 h TYR 70 Ca 0.50 -0.11 0.00 0.00 2.00 0.00 0.00 58.73 61.12 1pn5 h TYR 70 Cb 0.84 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.52 1pn5 h TYR 70 CO -0.12 0.78 -0.35 1.28 -0.00 0.00 0.00 178.16 179.76 1pn5 n LEU 71 N -3.85 0.90 -0.00 3.88 4.77 0.03 -4.07 117.00 118.66 1pn5 n LEU 71 Ca -0.02 -0.20 -0.05 0.00 -0.03 0.00 0.00 56.01 55.70 1pn5 n LEU 71 Cb 0.63 -0.15 -0.12 0.00 -2.33 0.00 0.00 43.42 41.45 1pn5 n LEU 71 CO 0.45 0.18 -0.46 1.21 -1.33 0.00 0.00 177.39 177.43 1pn5 n GLU 72 N -0.89 0.63 0.12 3.23 2.13 0.57 -3.91 120.64 122.51 1pn5 n GLU 72 Ca 0.10 0.26 -0.13 0.00 0.66 0.00 0.00 57.16 58.04 1pn5 n GLU 72 Cb 0.35 -1.79 -0.08 0.00 0.27 0.00 0.00 31.44 30.19 1pn5 n GLU 72 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1pn5 h PHE 73 N 0.00 -0.26 -4.49 4.31 -5.15 -1.71 -3.44 116.94 106.20 1pn5 h PHE 73 Ca -0.25 -0.01 -0.49 0.00 -0.20 0.00 0.00 57.97 57.03 1pn5 h PHE 73 Cb 1.86 0.09 0.08 0.00 0.22 0.00 0.00 35.95 38.19 1pn5 h PHE 73 CO 0.00 0.02 0.41 -0.48 -2.00 0.00 0.00 178.31 176.26 1pn5 s LEU 74 N -9.69 2.86 0.00 2.10 0.05 -1.26 -5.10 118.68 107.63 1pn5 s LEU 74 Ca -0.15 1.10 0.00 0.00 0.05 0.00 0.00 54.13 55.14 1pn5 s LEU 74 Cb 0.03 -3.87 -0.00 0.00 -2.05 0.00 0.00 46.19 40.30 1pn5 s LEU 74 CO 0.61 -1.39 0.02 0.29 -0.55 0.00 0.00 176.35 175.32 1pn5 n LYS 75 N -3.04 0.59 0.00 1.48 5.02 -1.26 -4.76 118.16 116.19 1pn5 n LYS 75 Ca 0.07 -0.31 0.04 0.00 -2.02 0.00 0.00 58.31 56.10 1pn5 n LYS 75 Cb 0.57 0.20 0.21 0.00 -0.02 0.00 0.00 35.03 35.99 1pn5 n LYS 75 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pn5 n LYS 76 N -0.07 0.11 0.00 1.97 4.01 -1.26 -0.21 118.16 122.70 1pn5 n LYS 76 Ca -0.00 0.22 0.00 0.00 -0.51 0.00 0.00 58.31 58.02 1pn5 n LYS 76 Cb 0.05 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.07 1pn5 n LYS 76 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1pn5 n GLU 77 N -1.31 0.00 -0.05 1.97 1.02 -1.26 -4.00 120.64 117.02 1pn5 n GLU 77 Ca 0.04 0.36 0.01 0.00 -0.02 0.00 0.00 57.16 57.55 1pn5 n GLU 77 Cb 0.07 -1.18 -0.14 0.00 -0.02 0.00 0.00 31.44 30.17 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 -1.30 0.86 -0.27 3.49 4.71 0.10 -3.24 120.64 125.00 1pn5 n GLU 78 Ca 0.00 -0.09 0.04 0.00 -0.01 0.00 0.00 57.16 57.10 1pn5 n GLU 78 Cb 0.00 -1.44 0.26 0.00 -1.01 0.00 0.00 31.44 29.25 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 0.85 0.16 -4.62 7.12 -0.85 0.96 115.31 118.93 1pn5 h LEU 79 Ca -0.23 0.00 -0.33 0.00 0.13 0.00 0.00 57.88 57.45 1pn5 h LEU 79 Cb 1.44 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.40 1pn5 h LEU 79 CO 0.01 0.55 -1.64 0.50 -0.13 0.00 0.00 178.44 177.74 1pn5 h LYS 80 N 0.97 0.33 0.29 1.25 1.63 -1.69 -1.29 116.57 118.06 1pn5 h LYS 80 Ca 0.36 -0.57 0.00 0.00 -0.85 0.00 0.00 60.65 59.60 1pn5 h LYS 80 Cb 0.19 0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 32.00 1pn5 h LYS 80 CO -0.13 1.22 -0.40 0.93 -3.45 0.00 0.00 179.45 177.62 1pn5 h GLU 81 N 0.09 -0.72 -0.44 1.90 5.08 -1.50 -2.01 114.58 116.98 1pn5 h GLU 81 Ca -0.29 0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1pn5 h GLU 81 Cb 2.06 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 31.39 1pn5 h GLU 81 CO 0.17 -0.48 -0.45 0.35 -1.00 0.00 0.00 179.01 177.61 1pn5 h PHE 82 N -0.75 -1.31 -1.00 4.33 3.04 -0.84 0.39 116.94 120.80 1pn5 h PHE 82 Ca -0.01 0.07 0.11 0.00 3.98 0.00 0.00 57.97 62.12 1pn5 h PHE 82 Cb 0.70 0.64 -0.08 0.00 2.56 0.00 0.00 35.95 39.77 1pn5 h PHE 82 CO -0.27 -0.44 0.64 1.96 -2.02 0.00 0.00 178.31 178.17 1pn5 h GLN 83 N -0.32 0.99 0.01 1.11 7.50 -1.12 0.14 115.11 123.43 1pn5 h GLN 83 Ca 0.14 -0.06 -0.00 0.00 0.50 0.00 0.00 58.65 59.23 1pn5 h GLN 83 Cb 0.58 -0.22 0.00 0.00 0.05 0.00 0.00 27.48 27.89 1pn5 h GLN 83 CO -0.60 0.66 -0.00 1.37 -1.50 0.00 0.00 178.83 178.75 1pn5 h LEU 84 N 1.02 -0.01 -1.81 1.46 8.10 -0.43 -2.83 115.31 120.82 1pn5 h LEU 84 Ca 0.49 -0.57 0.00 0.00 0.11 0.00 0.00 57.88 57.91 1pn5 h LEU 84 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.67 1pn5 h LEU 84 CO -0.25 0.77 0.00 -0.07 -4.11 0.00 0.00 178.44 174.78 1pn5 h LEU 85 N -0.99 0.00 0.00 0.17 3.38 -0.19 -0.56 115.31 117.12 1pn5 h LEU 85 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1pn5 h LEU 85 Cb 0.58 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1pn5 h LEU 85 CO 0.00 0.00 -0.05 0.25 0.09 0.00 0.00 178.44 178.73 1pn5 h LEU 86 N 0.00 0.00 -2.56 1.67 6.46 -0.76 -3.31 115.31 116.81 1pn5 h LEU 86 Ca 0.00 -0.43 -0.00 0.00 -0.12 0.00 0.00 57.88 57.33 1pn5 h LEU 86 Cb 0.03 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1pn5 h LEU 86 CO 0.00 0.74 -0.01 0.00 -0.62 0.00 0.00 178.44 178.56 1pn5 h ALA 87 N -0.57 1.38 -0.49 1.25 0.00 -1.17 -0.06 119.26 119.59 1pn5 h ALA 87 Ca -0.01 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1pn5 h ALA 87 Cb 0.47 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 1pn5 h ALA 87 CO -0.01 0.01 0.04 -0.97 0.00 0.00 0.00 179.25 178.32 1pn5 h ASN 88 N 0.00 -0.12 0.00 0.00 -0.73 -1.21 -3.30 115.58 110.22 1pn5 h ASN 88 Ca -0.00 0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.28 1pn5 h ASN 88 Cb 0.02 0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.79 1pn5 h ASN 88 CO 0.00 -0.03 0.00 0.29 -0.37 0.00 0.00 177.43 177.32 1pn5 n LYS 89 N -5.18 0.00 0.00 6.67 4.01 -0.06 -5.03 118.16 118.57 1pn5 n LYS 89 Ca 0.05 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.85 1pn5 n LYS 89 Cb 0.26 -0.64 0.00 0.00 -0.51 0.00 0.00 35.03 34.14 1pn5 n LYS 89 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pn5 n ALA 90 N -1.45 0.00 0.08 7.82 0.00 -1.07 -4.96 120.51 120.93 1pn5 n ALA 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pn5 n ALA 90 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pn5 n ALA 90 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1pn5 n HIS 91 N 0.00 -1.75 -3.90 0.00 -0.00 -1.26 -5.08 115.22 103.23 1pn5 n HIS 91 Ca 0.00 0.34 -0.29 0.00 -0.00 0.00 0.00 57.72 57.77 1pn5 n HIS 91 Cb 0.00 0.95 -0.16 0.00 -0.00 0.00 0.00 29.99 30.77 1pn5 n HIS 91 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1pn5 s SER 92 N -3.65 2.94 0.00 0.41 0.01 -1.26 -5.00 113.70 107.15 1pn5 s SER 92 Ca 0.00 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.55 1pn5 s SER 92 Cb 0.00 -0.96 0.00 0.00 0.21 0.00 0.00 66.02 65.27 1pn5 s SER 92 CO 0.00 -0.18 0.74 -1.14 0.41 0.00 0.00 173.24 173.07 1pn5 n ARG 93 N 4.85 0.00 -0.50 12.44 0.00 -1.26 -5.08 116.66 127.11 1pn5 n ARG 93 Ca -0.12 -0.73 0.07 0.00 -0.00 0.00 0.00 57.85 57.06 1pn5 n ARG 93 Cb 0.47 -0.48 -0.02 0.00 0.00 0.00 0.00 32.46 32.44 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 0.00 -4.46 -3.62 6.15 2.88 -1.26 -4.92 113.62 108.39 1pn5 n SER 94 Ca 0.00 0.54 -0.29 0.00 -1.33 0.00 0.00 58.87 57.80 1pn5 n SER 94 Cb 0.60 -1.52 -0.12 0.00 -0.75 0.00 0.00 64.21 62.42 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 -4.63 3.17 0.15 -3.46 0.01 -1.26 -5.06 113.70 102.63 1pn5 s SER 95 Ca 0.00 -2.81 -0.07 0.00 1.31 0.00 0.00 55.95 54.38 1pn5 s SER 95 Cb 0.00 -0.86 0.03 0.00 0.21 0.00 0.00 66.02 65.39 1pn5 s SER 95 CO 0.00 -0.23 0.36 -1.20 0.41 0.00 0.00 173.24 172.58 1pn5 n SER 96 N 3.26 -0.94 0.00 2.44 7.64 -1.26 -5.11 113.62 119.65 1pn5 n SER 96 Ca 0.16 -1.63 0.00 0.00 1.01 0.00 0.00 58.87 58.41 1pn5 n SER 96 Cb 0.38 1.56 0.00 0.00 -1.01 0.00 0.00 64.21 65.15 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 -0.24 0.94 3.81 0.23 0.00 -1.26 -5.13 105.19 103.54 1pn5 n GLY 97 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 0.87 1.83 0.92 1.61 0.41 -1.26 -5.12 118.70 117.96 1pn5 s GLU 98 Ca 0.00 -1.12 -0.10 0.00 -0.41 0.00 0.00 54.97 53.34 1pn5 s GLU 98 Cb 0.00 0.59 0.15 0.00 -1.78 0.00 0.00 34.13 33.09 1pn5 s GLU 98 CO 0.00 -0.83 1.15 0.99 -0.49 0.00 0.00 175.26 176.07 1pn5 s THR 99 N -3.65 2.06 0.91 3.63 2.01 -1.26 -5.04 115.64 114.31 1pn5 s THR 99 Ca 0.14 0.02 -0.14 0.00 0.31 0.00 0.00 61.69 62.02 1pn5 s THR 99 Cb -0.05 -2.04 0.15 0.00 0.01 0.00 0.00 72.50 70.57 1pn5 s THR 99 CO 0.08 -0.03 1.21 -2.16 -0.69 0.00 0.00 174.62 173.03 1pn5 s PRO 100 N -4.65 1.09 0.46 4.92 0.04 -1.26 -4.97 135.00 130.63 1pn5 s PRO 100 Ca 0.67 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1pn5 s PRO 100 Cb -0.23 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1pn5 s PRO 100 CO 0.58 -2.17 0.00 0.00 0.04 0.00 0.00 177.00 175.45 1pn5 n ALA 101 N -3.69 -3.64 -2.40 8.56 0.00 -1.26 -5.03 120.51 113.06 1pn5 n ALA 101 Ca 0.10 0.65 -0.28 0.00 0.00 0.00 0.00 53.44 53.92 1pn5 n ALA 101 Cb 0.60 -1.38 -0.16 0.00 0.00 0.00 0.00 19.45 18.51 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 -3.12 1.76 0.69 0.00 -0.21 -1.26 -5.11 119.66 112.41 1pn5 s GLN 102 Ca 0.00 -0.82 -0.09 0.00 0.02 0.00 0.00 55.36 54.47 1pn5 s GLN 102 Cb 0.00 -1.73 0.03 0.00 1.00 0.00 0.00 33.01 32.31 1pn5 s GLN 102 CO 0.00 0.47 1.05 -1.25 -2.12 0.00 0.00 175.29 173.44 1pn5 s PRO 103 N -0.61 2.63 0.00 2.91 0.04 -1.26 -4.94 135.00 133.77 1pn5 s PRO 103 Ca 0.09 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.30 1pn5 s PRO 103 Cb -0.09 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1pn5 s PRO 103 CO -0.00 -1.07 0.39 0.39 0.04 0.00 0.00 177.00 176.74 1pn5 n GLU 104 N -2.94 0.55 -4.00 4.56 -0.58 -1.26 -4.40 120.64 112.57 1pn5 n GLU 104 Ca 0.07 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.50 1pn5 n GLU 104 Cb 0.58 -1.25 -0.15 0.00 -0.57 0.00 0.00 31.44 30.05 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 -0.37 1.61 0.00 3.49 3.01 -1.26 -4.91 119.74 121.31 1pn5 s LYS 105 Ca 0.00 -2.05 0.00 0.00 -1.01 0.00 0.00 55.97 52.91 1pn5 s LYS 105 Cb 0.00 -3.25 0.00 0.00 -1.01 0.00 0.00 37.83 33.57 1pn5 s LYS 105 CO 0.00 -0.98 0.22 -2.37 0.51 0.00 0.00 175.35 172.73 1pn5 n THR 106 N 3.99 0.05 -3.94 2.17 5.66 -1.26 -4.84 114.28 116.11 1pn5 n THR 106 Ca 0.04 -0.13 -0.27 0.00 -3.05 0.00 0.00 64.05 60.63 1pn5 n THR 106 Cb 0.40 1.58 -0.03 0.00 -1.55 0.00 0.00 70.33 70.73 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 -0.05 6.35 0.51 1.09 0.01 -1.26 -4.84 113.70 115.50 1pn5 s SER 107 Ca 0.00 0.20 0.19 0.00 1.31 0.00 0.00 55.95 57.65 1pn5 s SER 107 Cb 0.00 -1.92 1.30 0.00 0.21 0.00 0.00 66.02 65.61 1pn5 s SER 107 CO 0.00 0.08 2.11 1.23 0.41 0.00 0.00 173.24 177.07 1pn5 h GLY 108 N 2.40 0.00 1.43 3.44 0.00 -1.90 -1.43 103.07 107.01 1pn5 h GLY 108 Ca -0.47 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 1pn5 h GLY 108 CO 0.71 0.00 -0.07 -0.33 0.00 0.00 0.00 176.54 176.85 1pn5 h MET 109 N 0.00 0.69 0.09 4.80 2.86 -1.85 -3.25 114.93 118.27 1pn5 h MET 109 Ca -0.00 -0.20 -0.18 0.00 -2.06 0.00 0.00 59.70 57.26 1pn5 h MET 109 Cb 0.15 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1pn5 h MET 109 CO 0.01 0.75 -0.88 0.93 1.06 0.00 0.00 176.91 178.78 1pn5 h GLU 110 N 0.64 0.19 0.00 1.72 5.08 -1.70 -3.34 114.58 117.17 1pn5 h GLU 110 Ca 0.12 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1pn5 h GLU 110 Cb 0.50 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1pn5 h GLU 110 CO 0.03 1.16 -0.01 -0.39 -1.00 0.00 0.00 179.01 178.79 1pn5 h VAL 111 N -0.54 0.90 -0.66 3.13 -1.51 -1.45 -0.61 116.25 115.50 1pn5 h VAL 111 Ca -0.18 -0.04 0.14 0.00 -1.23 0.00 0.00 66.70 65.38 1pn5 h VAL 111 Cb 1.52 1.02 -0.12 0.00 -2.13 0.00 0.00 31.29 31.59 1pn5 h VAL 111 CO 0.06 0.01 -0.05 0.00 -1.23 0.00 0.00 177.57 176.36 1pn5 h ALA 112 N 1.99 0.60 -0.29 5.19 0.00 -1.67 0.16 119.26 125.23 1pn5 h ALA 112 Ca -0.00 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1pn5 h ALA 112 Cb 0.02 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1pn5 h ALA 112 CO 0.00 -0.41 0.08 0.66 0.00 0.00 0.00 179.25 179.58 1pn5 h SER 113 N 0.08 0.38 -0.26 0.00 4.64 -1.29 0.06 113.55 117.16 1pn5 h SER 113 Ca 0.34 -0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 61.48 1pn5 h SER 113 Cb 0.56 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1pn5 h SER 113 CO -0.61 0.38 -0.39 0.22 -0.87 0.00 0.00 176.83 175.56 1pn5 h TYR 114 N 0.42 0.89 0.11 4.77 3.20 -0.92 -2.31 116.97 123.12 1pn5 h TYR 114 Ca 0.10 -0.30 -0.01 0.00 3.14 0.00 0.00 58.73 61.67 1pn5 h TYR 114 Cb 0.15 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1pn5 h TYR 114 CO 0.00 1.07 -0.05 -0.07 -1.64 0.00 0.00 178.16 177.47 1pn5 h LEU 115 N 0.45 -0.12 -1.54 2.82 3.38 -0.35 -0.25 115.31 119.70 1pn5 h LEU 115 Ca 0.02 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 1pn5 h LEU 115 Cb 0.98 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1pn5 h LEU 115 CO 0.09 0.44 -0.24 0.58 0.09 0.00 0.00 178.44 179.39 1pn5 h VAL 116 N -0.74 0.98 -0.17 1.22 2.07 -1.11 -0.11 116.25 118.38 1pn5 h VAL 116 Ca -0.01 -0.88 -0.16 0.00 0.82 0.00 0.00 66.70 66.47 1pn5 h VAL 116 Cb 0.55 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1pn5 h VAL 116 CO 0.02 0.24 -0.51 0.00 0.02 0.00 0.00 177.57 177.34 1pn5 h ALA 117 N 1.76 0.28 -0.89 1.67 0.00 -1.42 -1.60 119.26 119.06 1pn5 h ALA 117 Ca -0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1pn5 h ALA 117 Cb 0.48 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1pn5 h ALA 117 CO 0.03 0.47 0.48 1.96 0.00 0.00 0.00 179.25 182.19 1pn5 h GLN 118 N 0.31 1.24 0.00 0.00 1.08 -0.40 -3.43 115.11 113.90 1pn5 h GLN 118 Ca -0.02 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 1pn5 h GLN 118 Cb 1.13 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 1pn5 h GLN 118 CO 0.11 0.91 0.00 0.66 -0.95 0.00 0.00 178.83 179.55 1pn5 n TYR 119 N -4.33 0.00 0.00 2.96 4.01 -0.11 -5.05 117.16 114.64 1pn5 n TYR 119 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1pn5 n TYR 119 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 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 2.85 3.30 0.35 2.72 0.00 -0.61 -4.93 105.19 108.88 1pn5 n GLY 120 Ca 0.00 -1.91 0.18 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 0.00 1.61 5.08 -1.93 0.12 114.58 119.46 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 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1pn5 h GLU 121 CO 0.00 0.00 0.00 0.94 -1.00 0.00 0.00 179.01 178.95 1pn5 n GLN 122 N -3.44 0.00 0.17 2.33 0.00 -1.26 -2.82 117.38 112.36 1pn5 n GLN 122 Ca 0.02 0.07 0.03 0.00 -0.00 0.00 0.00 57.00 57.11 1pn5 n GLN 122 Cb 0.39 -0.89 0.26 0.00 0.00 0.00 0.00 30.24 30.01 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 3.69 -0.00 -1.79 0.11 114.38 116.40 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 0.47 0.00 0.00 0.00 0.00 0.00 179.97 180.44 1pn5 n ALA 124 N -2.34 1.33 -0.01 0.04 0.00 0.35 -2.35 120.51 117.53 1pn5 n ALA 124 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.39 1pn5 n ALA 124 Cb 0.56 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.44 0.00 -0.29 0.00 -0.00 -0.89 -4.57 117.44 110.25 1pn5 n TRP 125 Ca 0.02 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.63 1pn5 n TRP 125 Cb 0.06 -0.08 0.26 0.00 -0.00 0.00 0.00 31.31 31.55 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 -0.09 -0.05 0.18 5.87 1.82 -0.82 0.34 116.42 123.67 1pn5 h ASP 126 Ca -0.06 0.19 -0.33 0.00 -0.39 0.00 0.00 57.03 56.45 1pn5 h ASP 126 Cb 0.93 0.27 0.01 0.00 0.68 0.00 0.00 39.33 41.22 1pn5 h ASP 126 CO -0.03 -0.15 -1.60 0.25 -1.61 0.00 0.00 179.24 176.10 1pn5 h LEU 127 N 0.20 0.59 -0.91 2.28 5.85 -1.70 -3.04 115.31 118.58 1pn5 h LEU 127 Ca 0.52 -0.92 0.14 0.00 0.84 0.00 0.00 57.88 58.47 1pn5 h LEU 127 Cb 1.03 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.77 1pn5 h LEU 127 CO -0.65 1.73 0.52 0.00 -0.34 0.00 0.00 178.44 179.70 1pn5 h ALA 128 N 0.08 1.41 0.11 1.25 0.00 -1.56 -0.87 119.26 119.67 1pn5 h ALA 128 Ca -0.32 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1pn5 h ALA 128 Cb 2.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 1pn5 h ALA 128 CO 0.17 0.01 -0.17 -0.07 0.00 0.00 0.00 179.25 179.18 1pn5 h LEU 129 N 0.75 -0.48 -1.11 0.00 -0.00 -0.35 -2.37 115.31 111.76 1pn5 h LEU 129 Ca 0.49 0.05 0.07 0.00 -0.00 0.00 0.00 57.88 58.49 1pn5 h LEU 129 Cb 0.64 0.18 -0.06 0.00 -0.00 0.00 0.00 40.66 41.42 1pn5 h LEU 129 CO -0.33 -0.25 0.61 -0.74 -0.00 0.00 0.00 178.44 177.72 1pn5 h HIS 130 N -0.34 1.09 0.00 1.13 2.76 -1.32 -2.26 115.15 116.21 1pn5 h HIS 130 Ca 0.02 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1pn5 h HIS 130 Cb 0.35 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 28.95 1pn5 h HIS 130 CO -0.17 0.57 0.00 2.41 -1.30 0.00 0.00 177.93 179.44 1pn5 n THR 131 N -4.49 1.06 0.15 6.26 -1.04 -0.38 -1.02 114.28 114.83 1pn5 n THR 131 Ca 0.14 0.44 0.01 0.00 -2.04 0.00 0.00 64.05 62.61 1pn5 n THR 131 Cb 0.20 -1.39 0.23 0.00 -1.82 0.00 0.00 70.33 67.55 1pn5 n THR 131 CO 0.00 0.00 0.00 -0.50 -0.64 0.00 0.00 175.07 173.93 1pn5 h TRP 132 N 0.00 0.00 -0.52 -1.42 -0.00 -1.33 -3.25 115.95 109.44 1pn5 h TRP 132 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.89 58.91 1pn5 h TRP 132 Cb 0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.31 1pn5 h TRP 132 CO 0.00 0.53 0.31 1.49 -0.00 0.00 0.00 178.44 180.78 1pn5 h GLU 133 N 0.00 0.61 -0.19 0.49 4.81 -1.23 0.26 114.58 119.33 1pn5 h GLU 133 Ca -0.01 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1pn5 h GLU 133 Cb 1.02 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.19 1pn5 h GLU 133 CO 0.07 0.40 -0.42 1.96 -0.73 0.00 0.00 179.01 180.29 1pn5 h GLN 134 N 0.63 -0.44 0.00 1.92 1.08 -1.69 -2.18 115.11 114.43 1pn5 h GLN 134 Ca 0.20 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 1pn5 h GLN 134 Cb 0.01 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1pn5 h GLN 134 CO -0.09 -0.29 -0.07 -1.33 -0.95 0.00 0.00 178.83 176.10 1pn5 n MET 135 N -5.43 0.21 -1.74 1.46 2.81 -1.00 -4.94 117.12 108.49 1pn5 n MET 135 Ca -0.03 0.16 -0.06 0.00 -1.81 0.00 0.00 57.70 55.96 1pn5 n MET 135 Cb 0.36 -1.73 -0.01 0.00 -0.71 0.00 0.00 33.22 31.12 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 1.35 0.41 3.36 3.03 0.00 0.85 -4.96 105.19 109.23 1pn5 n GLY 136 Ca 0.06 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1pn5 n GLY 136 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pn5 n LEU 137 N -0.78 5.34 -0.15 0.99 7.99 -0.73 -4.78 117.00 124.88 1pn5 n LEU 137 Ca -0.07 -3.93 -0.04 0.00 -0.01 0.00 0.00 56.01 51.97 1pn5 n LEU 137 Cb 0.41 -1.72 0.05 0.00 -0.11 0.00 0.00 43.42 42.06 1pn5 n LEU 137 CO 0.08 0.30 0.96 -0.09 -1.51 0.00 0.00 177.39 177.14 1pn5 h ARG 138 N 7.27 0.33 -0.95 3.23 2.43 -1.93 -1.83 114.38 122.92 1pn5 h ARG 138 Ca 0.47 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.67 1pn5 h ARG 138 Cb 0.81 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.23 1pn5 h ARG 138 CO 1.57 0.22 0.61 0.77 -1.51 0.00 0.00 179.97 181.63 1pn5 h SER 139 N 0.34 1.00 -0.22 -3.80 0.02 -1.98 0.10 113.55 109.00 1pn5 h SER 139 Ca 0.22 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.02 1pn5 h SER 139 Cb 0.23 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1pn5 h SER 139 CO -0.23 0.66 -0.49 -0.07 -1.14 0.00 0.00 176.83 175.56 1pn5 h LEU 140 N 1.15 0.82 -0.55 5.07 3.38 -1.76 0.19 115.31 123.61 1pn5 h LEU 140 Ca 0.40 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1pn5 h LEU 140 Cb 0.10 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1pn5 h LEU 140 CO -0.15 1.22 0.33 0.00 0.09 0.00 0.00 178.44 179.94 1pn5 h ALA 142 N 1.17 -0.90 -1.01 0.00 0.00 -0.71 -3.30 119.26 114.52 1pn5 h ALA 142 Ca 0.20 -0.09 0.22 0.00 0.00 0.00 0.00 54.91 55.25 1pn5 h ALA 142 Cb -0.02 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 17.81 1pn5 h ALA 142 CO -0.04 -0.87 0.61 0.37 0.00 0.00 0.00 179.25 179.32 1pn5 h GLN 143 N -0.48 0.62 -0.24 0.00 4.15 -0.67 0.32 115.11 118.82 1pn5 h GLN 143 Ca -0.04 -0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.41 1pn5 h GLN 143 Cb 0.31 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 1pn5 h GLN 143 CO 0.07 0.41 0.26 0.00 -1.93 0.00 0.00 178.83 177.64 1pn5 h ALA 144 N 1.69 1.88 0.00 3.38 0.00 -1.47 -3.06 119.26 121.68 1pn5 h ALA 144 Ca 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.52 1pn5 h ALA 144 Cb 1.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1pn5 h ALA 144 CO -0.42 -0.38 0.00 1.04 0.00 0.00 0.00 179.25 179.49 1pn5 n GLN 145 N -3.78 0.58 -0.11 0.00 6.02 0.98 -4.82 117.38 116.26 1pn5 n GLN 145 Ca 0.03 -0.69 0.04 0.00 -0.01 0.00 0.00 57.00 56.38 1pn5 n GLN 145 Cb 0.40 -0.79 0.10 0.00 1.02 0.00 0.00 30.24 30.96 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 -0.15 2.59 -2.91 -1.09 1.02 -0.35 -5.00 120.64 114.76 1pn5 n GLU 146 Ca 0.00 -2.02 -0.12 0.00 -0.02 0.00 0.00 57.16 55.00 1pn5 n GLU 146 Cb 0.23 -1.27 0.06 0.00 -0.02 0.00 0.00 31.44 30.43 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 -0.47 -0.37 0.00 0.62 0.00 -1.26 -4.97 105.19 98.75 1pn5 n GLY 147 Ca 0.09 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -3.02 0.00 -3.45 4.61 0.00 -1.26 -4.87 120.51 112.52 1pn5 n ALA 148 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.12 1pn5 n ALA 148 Cb 0.61 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.60 -0.89 3.72 0.00 0.00 -1.26 -4.87 105.19 101.28 1pn5 n GLY 149 Ca 0.00 0.41 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 1pn5 n GLY 149 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pn5 s HIS 150 N -2.77 2.04 0.00 1.61 2.46 -1.26 -5.29 115.29 112.07 1pn5 s HIS 150 Ca 0.02 1.63 0.00 0.00 0.47 0.00 0.00 55.06 57.18 1pn5 s HIS 150 Cb -0.01 -3.41 0.00 0.00 -0.13 0.00 0.00 32.58 29.03 1pn5 s HIS 150 CO 0.63 -2.55 0.00 0.43 -2.47 0.00 0.00 174.74 170.78