#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 0.00 -2.75 3.17 0.00 -1.26 -5.07 120.51 114.61 1pn5 n ALA 60 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1pn5 n ALA 60 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 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 3.49 0.90 0.31 0.00 0.00 -1.26 -4.99 105.19 103.64 1pn5 n GLY 61 Ca 0.00 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 2.80 0.56 -7.39 -0.02 0.00 -1.97 -3.30 103.07 93.75 1pn5 h GLY 62 Ca -0.13 -0.20 -0.64 0.00 0.00 0.00 0.00 47.33 46.36 1pn5 h GLY 62 CO 0.11 0.19 -0.63 0.00 0.00 0.00 0.00 176.54 176.21 1pn5 s ALA 63 N -5.47 3.30 0.27 3.60 0.00 -1.26 -5.07 121.76 117.12 1pn5 s ALA 63 Ca -0.08 -3.25 -0.05 0.00 0.00 0.00 0.00 51.96 48.57 1pn5 s ALA 63 Cb 0.18 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.13 1pn5 s ALA 63 CO 0.73 -2.01 0.37 -1.58 0.00 0.00 0.00 175.76 173.27 1pn5 s TRP 64 N -0.26 0.87 0.00 0.00 0.52 -1.25 -4.78 118.94 114.04 1pn5 s TRP 64 Ca 0.17 -1.13 0.00 0.00 0.02 0.00 0.00 56.10 55.16 1pn5 s TRP 64 Cb -0.26 -0.15 0.00 0.00 -1.15 0.00 0.00 33.47 31.91 1pn5 s TRP 64 CO -0.00 -0.93 0.00 0.41 0.02 0.00 0.00 176.95 176.45 1pn5 n GLY 65 N -0.42 1.90 0.27 0.98 0.00 -1.26 -3.79 105.19 102.87 1pn5 n GLY 65 Ca 0.01 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 45.89 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 0.39 -0.53 1.61 2.43 -1.99 -0.56 114.38 115.73 1pn5 h ARG 66 Ca 0.00 -0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.25 1pn5 h ARG 66 Cb 0.00 -0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 29.35 1pn5 h ARG 66 CO 0.00 0.26 -0.26 1.25 -1.51 0.00 0.00 179.97 179.71 1pn5 h LEU 67 N 0.40 -0.91 -0.08 3.80 5.85 -1.90 -1.42 115.31 121.05 1pn5 h LEU 67 Ca 0.40 0.20 0.00 0.00 0.84 0.00 0.00 57.88 59.32 1pn5 h LEU 67 Cb 0.62 0.48 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1pn5 h LEU 67 CO -0.41 -0.27 0.00 0.00 -0.34 0.00 0.00 178.44 177.41 1pn5 n ALA 68 N -3.06 2.21 -0.27 1.25 0.00 -0.34 -3.32 120.51 116.98 1pn5 n ALA 68 Ca 0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.41 1pn5 n ALA 68 Cb 0.34 -1.46 0.06 0.00 0.00 0.00 0.00 19.45 18.38 1pn5 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pn5 h TYR 70 N 1.07 0.00 -0.00 0.00 0.05 -1.54 -2.22 116.97 114.32 1pn5 h TYR 70 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.03 1pn5 h TYR 70 Cb 0.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.93 1pn5 h TYR 70 CO 0.02 0.04 -0.70 1.28 -1.05 0.00 0.00 178.16 177.75 1pn5 n LEU 71 N -3.65 1.07 0.09 3.88 4.32 -0.28 -4.31 117.00 118.12 1pn5 n LEU 71 Ca -0.03 -0.40 -0.09 0.00 -0.02 0.00 0.00 56.01 55.48 1pn5 n LEU 71 Cb 0.14 -0.07 -0.03 0.00 -1.62 0.00 0.00 43.42 41.83 1pn5 n LEU 71 CO 0.27 0.24 0.21 1.05 -1.22 0.00 0.00 177.39 177.94 1pn5 h GLU 72 N 0.59 0.16 -0.00 3.23 4.11 -0.34 -3.28 114.58 119.04 1pn5 h GLU 72 Ca 0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.36 59.24 1pn5 h GLU 72 Cb 0.55 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1pn5 h GLU 72 CO 0.00 0.97 -0.07 1.97 0.07 0.00 0.00 179.01 181.95 1pn5 n PHE 73 N -3.60 0.00 -1.08 2.06 -1.74 -1.25 -4.91 117.46 106.93 1pn5 n PHE 73 Ca -0.03 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.57 1pn5 n PHE 73 Cb 0.84 -0.46 0.20 0.00 1.52 0.00 0.00 39.48 41.58 1pn5 n PHE 73 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1pn5 s LEU 74 N -2.99 1.22 0.25 5.98 2.01 -1.24 -5.12 118.68 118.78 1pn5 s LEU 74 Ca 0.14 1.05 0.01 0.00 0.01 0.00 0.00 54.13 55.34 1pn5 s LEU 74 Cb 0.19 -3.07 -0.05 0.00 0.01 0.00 0.00 46.19 43.27 1pn5 s LEU 74 CO 0.55 -3.54 0.10 -0.54 1.01 0.00 0.00 176.35 173.93 1pn5 s LYS 75 N -5.03 1.38 0.30 1.70 -0.14 -1.26 -4.98 119.74 111.70 1pn5 s LYS 75 Ca 0.67 -1.74 -0.01 0.00 -1.36 0.00 0.00 55.97 53.52 1pn5 s LYS 75 Cb -0.17 -0.21 0.65 0.00 -1.68 0.00 0.00 37.83 36.42 1pn5 s LYS 75 CO 0.58 -0.30 1.54 1.63 -0.76 0.00 0.00 175.35 178.04 1pn5 n LYS 76 N -0.44 -0.08 0.22 1.68 4.01 -1.26 -0.34 118.16 121.94 1pn5 n LYS 76 Ca 0.00 1.50 0.15 0.00 -0.51 0.00 0.00 58.31 59.45 1pn5 n LYS 76 Cb 0.66 -2.33 0.77 0.00 -0.51 0.00 0.00 35.03 33.62 1pn5 n LYS 76 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1pn5 h GLU 77 N 0.00 0.00 0.00 1.97 5.08 -1.99 0.64 114.58 120.28 1pn5 h GLU 77 Ca 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.92 1pn5 h GLU 77 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1pn5 h GLU 77 CO -0.96 0.00 -0.42 0.39 -1.00 0.00 0.00 179.01 177.02 1pn5 n GLU 78 N -2.52 2.75 -0.16 2.33 1.02 -0.49 -4.46 120.64 119.11 1pn5 n GLU 78 Ca -0.02 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.01 1pn5 n GLU 78 Cb 0.07 -0.71 -0.00 0.00 -0.02 0.00 0.00 31.44 30.78 1pn5 n GLU 78 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1pn5 h LEU 79 N 0.00 0.96 0.14 -4.62 5.85 -0.44 0.13 115.31 117.32 1pn5 h LEU 79 Ca 0.00 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1pn5 h LEU 79 Cb 0.17 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1pn5 h LEU 79 CO 0.00 1.12 -0.07 0.50 -0.34 0.00 0.00 178.44 179.65 1pn5 h LYS 80 N 0.79 -0.18 -0.93 1.25 3.11 -1.09 -2.90 116.57 116.64 1pn5 h LYS 80 Ca 0.12 0.01 0.10 0.00 -2.81 0.00 0.00 60.65 58.07 1pn5 h LYS 80 Cb 0.72 0.04 -0.07 0.00 -1.00 0.00 0.00 32.23 31.92 1pn5 h LYS 80 CO 0.05 0.28 0.60 0.93 -2.81 0.00 0.00 179.45 178.50 1pn5 h GLU 81 N -0.83 0.91 0.26 1.90 3.07 -1.68 0.12 114.58 118.32 1pn5 h GLU 81 Ca -0.02 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1pn5 h GLU 81 Cb 0.54 -0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 1pn5 h GLU 81 CO 0.03 0.60 -0.47 0.35 -1.40 0.00 0.00 179.01 178.13 1pn5 h PHE 82 N 0.94 -1.33 0.00 4.33 3.04 -0.79 0.25 116.94 123.38 1pn5 h PHE 82 Ca 0.43 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.37 1pn5 h PHE 82 Cb 0.40 0.54 -0.01 0.00 2.56 0.00 0.00 35.95 39.45 1pn5 h PHE 82 CO -0.00 -0.57 -0.18 -0.56 -2.02 0.00 0.00 178.31 174.99 1pn5 h GLN 83 N -0.77 0.00 0.00 1.11 -0.00 -1.09 -1.63 115.11 112.72 1pn5 h GLN 83 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1pn5 h GLN 83 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.20 1pn5 h GLN 83 CO -0.17 0.18 0.00 -0.11 -0.00 0.00 0.00 178.83 178.73 1pn5 n LEU 84 N -3.54 0.15 -0.28 0.06 0.00 0.31 -2.44 117.00 111.27 1pn5 n LEU 84 Ca -0.01 0.74 0.09 0.00 0.00 0.00 0.00 56.01 56.83 1pn5 n LEU 84 Cb 0.33 -0.43 0.24 0.00 0.00 0.00 0.00 43.42 43.55 1pn5 n LEU 84 CO 0.32 -0.43 1.02 -0.07 0.00 0.00 0.00 177.39 178.22 1pn5 h LEU 85 N 0.00 0.28 -0.13 -1.96 3.38 -0.47 0.13 115.31 116.54 1pn5 h LEU 85 Ca 0.00 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1pn5 h LEU 85 Cb 0.00 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1pn5 h LEU 85 CO 0.00 0.05 -0.15 0.25 0.09 0.00 0.00 178.44 178.68 1pn5 h LEU 86 N 0.42 -0.51 0.00 1.67 5.85 -1.43 -1.39 115.31 119.91 1pn5 h LEU 86 Ca 0.48 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.27 1pn5 h LEU 86 Cb 0.82 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1pn5 h LEU 86 CO -0.47 -0.10 0.00 0.00 -0.34 0.00 0.00 178.44 177.53 1pn5 n ALA 87 N -2.84 2.59 -0.04 1.25 0.00 0.09 -0.73 120.51 120.83 1pn5 n ALA 87 Ca -0.01 -0.17 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 1pn5 n ALA 87 Cb 0.09 -1.45 -0.13 0.00 0.00 0.00 0.00 19.45 17.95 1pn5 n ALA 87 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1pn5 n ASN 88 N -0.97 1.91 0.32 0.00 5.15 0.23 -4.22 115.26 117.68 1pn5 n ASN 88 Ca 0.21 0.11 -0.13 0.00 -0.60 0.00 0.00 54.58 54.17 1pn5 n ASN 88 Cb 0.10 -0.60 -0.06 0.00 -0.53 0.00 0.00 39.78 38.69 1pn5 n ASN 88 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1pn5 h LYS 89 N 0.04 -0.81 -7.35 1.20 1.63 -1.17 -3.47 116.57 106.65 1pn5 h LYS 89 Ca -0.46 0.05 -0.51 0.00 -0.85 0.00 0.00 60.65 58.88 1pn5 h LYS 89 Cb 2.00 0.18 0.08 0.00 -0.60 0.00 0.00 32.23 33.90 1pn5 h LYS 89 CO 0.03 -0.54 0.39 0.00 -3.45 0.00 0.00 179.45 175.88 1pn5 s ALA 90 N -4.74 2.82 0.00 5.00 0.00 0.10 -4.84 121.76 120.10 1pn5 s ALA 90 Ca -0.12 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1pn5 s ALA 90 Cb 0.01 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1pn5 s ALA 90 CO 0.37 -1.04 0.00 -2.39 0.00 0.00 0.00 175.76 172.69 1pn5 n HIS 91 N -3.00 -0.25 0.00 0.00 1.44 -1.26 -4.69 115.22 107.45 1pn5 n HIS 91 Ca 0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 1pn5 n HIS 91 Cb 0.54 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.65 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 0.12 0.00 0.00 4.39 7.64 -1.26 -5.13 113.62 119.38 1pn5 n SER 92 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1pn5 n SER 92 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1pn5 n SER 92 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1pn5 n ARG 93 N 0.00 0.00 0.00 1.43 3.00 -1.26 -5.05 116.66 114.78 1pn5 n ARG 93 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1pn5 n ARG 93 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 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 -1.85 0.00 -0.94 6.15 2.88 -1.26 -5.15 113.62 113.45 1pn5 n SER 94 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1pn5 n SER 94 Cb 0.00 0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1pn5 n SER 94 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1pn5 n SER 95 N -1.53 -3.61 0.00 -3.46 2.88 -1.26 -4.91 113.62 101.73 1pn5 n SER 95 Ca 0.00 0.33 -0.03 0.00 -1.33 0.00 0.00 58.87 57.85 1pn5 n SER 95 Cb 0.00 -1.94 0.22 0.00 -0.75 0.00 0.00 64.21 61.75 1pn5 n SER 95 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1pn5 h SER 96 N 0.98 0.51 -2.93 -3.46 0.02 -2.06 -3.47 113.55 103.14 1pn5 h SER 96 Ca 0.00 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1pn5 h SER 96 Cb 0.00 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.41 1pn5 h SER 96 CO 0.00 0.70 -0.02 0.61 -1.14 0.00 0.00 176.83 176.98 1pn5 n GLY 97 N -0.52 0.80 3.65 -3.77 0.00 -1.26 -5.08 105.19 99.00 1pn5 n GLY 97 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 1pn5 n GLY 97 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pn5 s GLU 98 N -3.17 0.69 0.79 1.61 2.12 -1.26 -5.01 118.70 114.46 1pn5 s GLU 98 Ca 0.01 1.12 -0.14 0.00 0.36 0.00 0.00 54.97 56.32 1pn5 s GLU 98 Cb -0.00 -1.72 0.06 0.00 0.26 0.00 0.00 34.13 32.73 1pn5 s GLU 98 CO 0.02 -2.72 1.15 0.25 -0.54 0.00 0.00 175.26 173.42 1pn5 n THR 99 N -4.25 2.30 -2.13 -1.70 -2.24 -1.26 -4.97 114.28 100.04 1pn5 n THR 99 Ca 0.08 -0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 1pn5 n THR 99 Cb 0.54 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 1pn5 n THR 99 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1pn5 s PRO 100 N -3.92 3.41 0.37 -0.78 0.04 -1.26 -5.06 135.00 127.80 1pn5 s PRO 100 Ca 0.74 1.23 -0.05 0.00 0.04 0.00 0.00 61.00 62.95 1pn5 s PRO 100 Cb -0.30 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.21 1pn5 s PRO 100 CO 0.50 -0.74 0.57 0.00 0.04 0.00 0.00 177.00 177.37 1pn5 s ALA 101 N -2.38 0.45 -0.03 8.56 0.00 -1.26 -5.18 121.76 121.93 1pn5 s ALA 101 Ca 0.64 -1.37 0.06 0.00 0.00 0.00 0.00 51.96 51.29 1pn5 s ALA 101 Cb -0.16 1.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 1pn5 s ALA 101 CO 0.34 -0.84 -0.20 -0.65 0.00 0.00 0.00 175.76 174.40 1pn5 s GLN 102 N -2.72 1.79 0.31 0.00 -0.21 -1.26 -5.13 119.66 112.44 1pn5 s GLN 102 Ca 0.27 -0.73 -0.28 0.00 0.02 0.00 0.00 55.36 54.64 1pn5 s GLN 102 Cb -0.02 -1.67 -0.09 0.00 1.00 0.00 0.00 33.01 32.23 1pn5 s GLN 102 CO 0.19 0.40 1.02 -1.25 -2.12 0.00 0.00 175.29 173.53 1pn5 s PRO 103 N -0.35 4.56 -0.34 2.91 0.04 -1.26 -4.96 135.00 135.59 1pn5 s PRO 103 Ca 0.04 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.63 1pn5 s PRO 103 Cb -0.09 -2.97 0.08 0.00 0.04 0.00 0.00 34.50 31.56 1pn5 s PRO 103 CO 0.00 0.20 2.55 -0.85 0.04 0.00 0.00 177.00 178.95 1pn5 n GLU 104 N 0.81 2.09 -3.58 4.56 0.28 -1.26 -4.64 120.64 118.91 1pn5 n GLU 104 Ca 0.01 -1.84 -0.29 0.00 -0.16 0.00 0.00 57.16 54.88 1pn5 n GLU 104 Cb 0.47 -1.89 -0.15 0.00 1.43 0.00 0.00 31.44 31.31 1pn5 n GLU 104 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1pn5 s LYS 105 N -1.43 0.38 -0.36 3.44 0.00 -1.26 -4.98 119.74 115.54 1pn5 s LYS 105 Ca 0.47 -0.80 0.08 0.00 0.00 0.00 0.00 55.97 55.72 1pn5 s LYS 105 Cb 0.31 -1.39 0.64 0.00 0.00 0.00 0.00 37.83 37.39 1pn5 s LYS 105 CO -0.11 -1.04 1.74 0.25 0.00 0.00 0.00 175.35 176.19 1pn5 n THR 106 N 4.95 2.91 -5.08 3.79 -2.24 -1.26 -4.76 114.28 112.59 1pn5 n THR 106 Ca -0.02 -2.06 -0.31 0.00 -2.27 0.00 0.00 64.05 59.38 1pn5 n THR 106 Cb 0.41 -0.39 -0.15 0.00 -2.10 0.00 0.00 70.33 68.10 1pn5 n THR 106 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1pn5 s SER 107 N -1.60 3.36 0.32 3.42 1.04 -1.26 -5.04 113.70 113.95 1pn5 s SER 107 Ca 0.52 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.54 1pn5 s SER 107 Cb 0.44 -0.47 0.57 0.00 0.10 0.00 0.00 66.02 66.66 1pn5 s SER 107 CO 0.09 0.31 1.95 1.23 0.98 0.00 0.00 173.24 177.80 1pn5 h GLY 108 N 5.24 1.13 2.00 7.32 0.00 -1.91 -2.14 103.07 114.70 1pn5 h GLY 108 Ca -0.45 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 46.40 1pn5 h GLY 108 CO 0.47 0.32 -0.48 0.00 0.00 0.00 0.00 176.54 176.85 1pn5 h MET 109 N 0.97 0.00 0.17 4.80 -0.00 -1.91 -0.47 114.93 118.50 1pn5 h MET 109 Ca 0.32 0.00 -0.31 0.00 -0.00 0.00 0.00 59.70 59.71 1pn5 h MET 109 Cb 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.69 1pn5 h MET 109 CO -0.10 0.48 -1.43 0.93 -0.00 0.00 0.00 176.91 176.79 1pn5 h GLU 110 N 0.00 0.37 -0.94 -0.10 4.39 -1.87 -2.51 114.58 113.92 1pn5 h GLU 110 Ca -0.00 -0.63 0.10 0.00 0.34 0.00 0.00 59.36 59.17 1pn5 h GLU 110 Cb 1.09 0.23 -0.08 0.00 -0.10 0.00 0.00 28.75 29.89 1pn5 h GLU 110 CO 0.06 1.28 0.57 0.28 -1.16 0.00 0.00 179.01 180.05 1pn5 h VAL 111 N 0.10 0.94 0.47 3.13 2.07 -1.30 -1.26 116.25 120.40 1pn5 h VAL 111 Ca -0.22 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1pn5 h VAL 111 Cb 2.06 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1pn5 h VAL 111 CO 0.22 0.17 -0.26 0.00 0.02 0.00 0.00 177.57 177.71 1pn5 h ALA 112 N 1.49 -1.13 -0.20 1.67 0.00 -1.04 -0.57 119.26 119.48 1pn5 h ALA 112 Ca 0.45 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.27 1pn5 h ALA 112 Cb 0.39 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1pn5 h ALA 112 CO -0.24 -1.10 0.14 0.66 0.00 0.00 0.00 179.25 178.71 1pn5 h SER 113 N -0.68 0.04 0.38 0.00 4.64 -1.41 -0.91 113.55 115.61 1pn5 h SER 113 Ca -0.06 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 1pn5 h SER 113 Cb 0.54 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1pn5 h SER 113 CO 0.08 0.02 -0.18 0.22 -0.87 0.00 0.00 176.83 176.10 1pn5 h TYR 114 N 0.04 -0.47 -0.62 4.77 3.20 -1.08 -2.27 116.97 120.54 1pn5 h TYR 114 Ca 0.09 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 1pn5 h TYR 114 Cb 0.33 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 1pn5 h TYR 114 CO -0.00 -0.15 0.13 1.25 -1.64 0.00 0.00 178.16 177.75 1pn5 h LEU 115 N -0.79 0.97 -2.14 2.82 5.85 -0.36 0.15 115.31 121.81 1pn5 h LEU 115 Ca -0.05 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1pn5 h LEU 115 Cb 0.52 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1pn5 h LEU 115 CO 0.08 0.96 -0.05 0.58 -0.34 0.00 0.00 178.44 179.67 1pn5 h VAL 116 N 0.93 0.70 -0.01 1.05 2.07 -1.23 -1.23 116.25 118.52 1pn5 h VAL 116 Ca 0.19 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1pn5 h VAL 116 Cb 0.39 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1pn5 h VAL 116 CO 0.01 0.05 -0.40 0.00 0.02 0.00 0.00 177.57 177.25 1pn5 n ALA 117 N -2.38 3.36 -0.05 1.67 0.00 -0.77 -2.58 120.51 119.76 1pn5 n ALA 117 Ca -0.03 -0.61 -0.19 0.00 0.00 0.00 0.00 53.44 52.62 1pn5 n ALA 117 Cb 0.14 -0.70 -0.13 0.00 0.00 0.00 0.00 19.45 18.76 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 0.01 0.71 -0.03 0.00 1.13 -0.03 -4.81 117.38 114.36 1pn5 n GLN 118 Ca 0.08 0.21 -0.08 0.00 -1.94 0.00 0.00 57.00 55.27 1pn5 n GLN 118 Cb 0.42 -1.63 -0.03 0.00 0.11 0.00 0.00 30.24 29.12 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 -3.33 0.00 0.00 1.08 4.02 -0.52 -5.09 117.16 113.33 1pn5 n TYR 119 Ca -0.36 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.53 1pn5 n TYR 119 Cb 1.03 -0.31 0.00 0.00 -0.02 0.00 0.00 39.34 40.05 1pn5 n TYR 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pn5 n GLY 120 N 2.46 3.19 0.35 2.72 0.00 -1.07 -4.89 105.19 107.95 1pn5 n GLY 120 Ca -0.13 -1.95 0.14 0.00 0.00 0.00 0.00 46.02 44.07 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 0.28 0.00 1.61 3.07 -1.91 -0.81 114.58 116.81 1pn5 h GLU 121 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1pn5 h GLU 121 Cb 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 1pn5 h GLU 121 CO 0.00 0.18 0.00 1.04 -1.40 0.00 0.00 179.01 178.83 1pn5 n GLN 122 N -4.46 0.00 0.22 2.33 1.13 -1.26 -3.10 117.38 112.24 1pn5 n GLN 122 Ca 0.09 0.26 0.05 0.00 -1.94 0.00 0.00 57.00 55.46 1pn5 n GLN 122 Cb 0.41 -1.26 0.50 0.00 0.11 0.00 0.00 30.24 30.00 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 0.02 0.00 -1.09 2.47 -1.84 0.30 114.38 114.25 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 0.19 0.00 0.00 0.56 0.00 0.00 179.97 180.72 1pn5 n ALA 124 N -2.51 1.50 0.00 0.04 0.00 -0.34 -1.21 120.51 117.99 1pn5 n ALA 124 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1pn5 n ALA 124 Cb 0.24 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.31 0.00 -0.15 0.00 -0.00 -0.46 -4.73 117.44 110.78 1pn5 n TRP 125 Ca 0.03 0.00 0.17 0.00 -0.00 0.00 0.00 57.50 57.71 1pn5 n TRP 125 Cb 0.06 0.01 0.54 0.00 -0.00 0.00 0.00 31.31 31.93 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 0.00 0.32 0.02 5.87 3.58 -0.30 0.27 116.42 126.17 1pn5 h ASP 126 Ca 0.00 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.43 1pn5 h ASP 126 Cb 0.96 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1pn5 h ASP 126 CO 0.00 0.16 -0.17 0.25 -2.88 0.00 0.00 179.24 176.60 1pn5 h LEU 127 N 0.33 0.12 -1.46 2.28 6.46 -1.37 -3.34 115.31 118.34 1pn5 h LEU 127 Ca 0.37 -0.89 0.14 0.00 -0.12 0.00 0.00 57.88 57.38 1pn5 h LEU 127 Cb 0.97 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.80 1pn5 h LEU 127 CO -0.10 1.00 0.53 0.00 -0.62 0.00 0.00 178.44 179.24 1pn5 h ALA 128 N 0.12 1.98 -0.17 1.25 0.00 -1.22 -2.20 119.26 119.02 1pn5 h ALA 128 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1pn5 h ALA 128 Cb 1.04 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1pn5 h ALA 128 CO 0.03 -0.19 -0.09 -0.07 0.00 0.00 0.00 179.25 178.93 1pn5 h LEU 129 N 0.54 -0.30 -1.16 0.00 -0.00 -0.65 -1.39 115.31 112.35 1pn5 h LEU 129 Ca 0.39 0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 58.32 1pn5 h LEU 129 Cb 0.76 0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 41.55 1pn5 h LEU 129 CO -0.15 -0.12 0.30 -0.74 -0.00 0.00 0.00 178.44 177.72 1pn5 h HIS 130 N -0.08 0.88 0.00 1.13 -0.00 -1.55 -2.08 115.15 113.45 1pn5 h HIS 130 Ca 0.10 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.39 1pn5 h HIS 130 Cb 0.22 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.35 1pn5 h HIS 130 CO -0.24 0.64 -0.21 1.15 -0.00 0.00 0.00 177.93 179.27 1pn5 h THR 131 N 0.88 1.14 -0.24 6.26 2.02 -1.01 -1.51 112.91 120.46 1pn5 h THR 131 Ca 0.22 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 1pn5 h THR 131 Cb 0.10 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1pn5 h THR 131 CO -0.03 0.21 0.13 -0.50 0.37 0.00 0.00 175.52 175.70 1pn5 h TRP 132 N 0.00 0.33 -0.18 3.16 -0.00 -0.56 -2.64 115.95 116.07 1pn5 h TRP 132 Ca -0.00 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 58.84 1pn5 h TRP 132 Cb 0.38 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.16 29.42 1pn5 h TRP 132 CO 0.00 0.29 -0.07 1.49 -0.00 0.00 0.00 178.44 180.15 1pn5 h GLU 133 N 0.27 0.27 -0.78 0.49 4.81 -1.30 0.15 114.58 118.48 1pn5 h GLU 133 Ca 0.08 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1pn5 h GLU 133 Cb 0.07 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 1pn5 h GLU 133 CO -0.01 0.36 0.50 1.96 -0.73 0.00 0.00 179.01 181.09 1pn5 h GLN 134 N 0.26 1.04 0.00 1.92 1.08 -0.95 -1.65 115.11 116.81 1pn5 h GLN 134 Ca 0.06 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1pn5 h GLN 134 Cb 0.30 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1pn5 h GLN 134 CO 0.01 0.70 -0.14 0.52 -0.95 0.00 0.00 178.83 178.98 1pn5 h MET 135 N 1.06 0.00 0.00 1.46 2.86 -1.13 -3.48 114.93 115.70 1pn5 h MET 135 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1pn5 h MET 135 Cb -0.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.56 1pn5 h MET 135 CO -0.06 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.32 1pn5 n GLY 136 N 1.29 0.81 3.43 8.32 0.00 0.38 -5.00 105.19 114.43 1pn5 n GLY 136 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 5.06 -0.08 0.99 7.99 -0.29 -4.77 117.00 125.90 1pn5 n LEU 137 Ca 0.00 -3.86 -0.07 0.00 -0.01 0.00 0.00 56.01 52.07 1pn5 n LEU 137 Cb 0.00 -1.72 -0.00 0.00 -0.11 0.00 0.00 43.42 41.59 1pn5 n LEU 137 CO 0.00 0.11 0.85 -0.09 -1.51 0.00 0.00 177.39 176.75 1pn5 h ARG 138 N 7.52 0.07 -0.67 3.23 2.43 -1.94 -1.52 114.38 123.50 1pn5 h ARG 138 Ca 0.45 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.59 1pn5 h ARG 138 Cb 0.83 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.34 1pn5 h ARG 138 CO 1.52 0.05 0.31 0.77 -1.51 0.00 0.00 179.97 181.10 1pn5 h SER 139 N 0.07 0.87 -0.02 -3.80 0.02 -1.98 0.20 113.55 108.91 1pn5 h SER 139 Ca 0.15 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1pn5 h SER 139 Cb 0.20 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 1pn5 h SER 139 CO -0.26 0.75 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.10 1pn5 h LEU 140 N 0.95 0.05 -1.08 5.07 3.38 -1.82 -0.10 115.31 121.77 1pn5 h LEU 140 Ca 0.23 -0.40 0.14 0.00 0.09 0.00 0.00 57.88 57.94 1pn5 h LEU 140 Cb 0.12 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 40.77 1pn5 h LEU 140 CO -0.03 0.44 0.62 0.00 0.09 0.00 0.00 178.44 179.56 1pn5 h ALA 142 N 1.58 -0.53 -0.02 0.00 0.00 -0.42 -2.98 119.26 116.89 1pn5 h ALA 142 Ca 0.50 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1pn5 h ALA 142 Cb 0.64 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1pn5 h ALA 142 CO -0.28 -0.60 0.03 1.96 0.00 0.00 0.00 179.25 180.36 1pn5 h GLN 143 N -0.92 0.00 -0.01 0.00 4.20 -0.77 0.76 115.11 118.37 1pn5 h GLN 143 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1pn5 h GLN 143 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1pn5 h GLN 143 CO 0.09 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.25 1pn5 n ALA 144 N -2.31 2.66 -0.43 3.87 0.00 -0.35 -4.10 120.51 119.85 1pn5 n ALA 144 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1pn5 n ALA 144 Cb 0.11 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 -0.78 0.56 0.00 0.00 6.02 0.14 -4.60 117.38 118.73 1pn5 n GLN 145 Ca 0.22 -0.06 0.03 0.00 -0.01 0.00 0.00 57.00 57.18 1pn5 n GLN 145 Cb 0.14 -0.39 0.20 0.00 1.02 0.00 0.00 30.24 31.21 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 -0.10 0.22 0.00 -1.09 1.02 -0.47 -4.45 120.64 115.77 1pn5 n GLU 146 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1pn5 n GLU 146 Cb 0.11 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 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 -0.56 0.51 3.53 0.62 0.00 -1.26 -5.07 105.19 102.97 1pn5 n GLY 147 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1pn5 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pn5 n ALA 148 N 0.00 1.22 -2.76 4.61 0.00 -1.26 -4.81 120.51 117.50 1pn5 n ALA 148 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1pn5 n ALA 148 Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 19.45 16.61 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 6.13 3.98 3.46 0.00 0.00 -1.26 -3.88 105.19 113.62 1pn5 n GLY 149 Ca 0.38 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.21 2.00 0.00 1.61 3.76 -1.26 -5.17 115.29 116.02 1pn5 s HIS 150 Ca 0.00 -0.93 0.00 0.00 -0.15 0.00 0.00 55.06 53.98 1pn5 s HIS 150 Cb 0.00 -1.31 0.00 0.00 1.11 0.00 0.00 32.58 32.38 1pn5 s HIS 150 CO 0.00 0.04 0.00 0.45 -0.85 0.00 0.00 174.74 174.38