#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pva s ALA 2 N 0.00 2.53 -0.18 0.00 0.00 -1.26 -4.79 121.76 118.06 1pva s ALA 2 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1pva s ALA 2 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.12 1pva s ALA 2 CO 0.00 -1.67 0.85 1.63 0.00 0.00 0.00 175.76 176.58 1pva n LYS 3 N -3.33 0.94 0.03 0.00 4.76 -1.26 -2.87 118.16 116.42 1pva n LYS 3 Ca 0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1pva n LYS 3 Cb 0.60 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.67 1pva n LYS 3 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1pva n ASP 4 N 0.44 0.42 -0.04 4.39 2.03 -1.26 -4.66 116.55 117.87 1pva n ASP 4 Ca 0.00 0.10 -0.05 0.00 0.52 0.00 0.00 54.79 55.36 1pva n ASP 4 Cb 0.43 -0.09 0.16 0.00 -0.72 0.00 0.00 41.12 40.89 1pva n ASP 4 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1pva h LEU 5 N 0.00 0.63 -9.45 -2.67 3.38 -1.94 -3.45 115.31 101.81 1pva h LEU 5 Ca 0.00 -0.20 -0.65 0.00 0.09 0.00 0.00 57.88 57.11 1pva h LEU 5 Cb 0.42 -0.17 -0.12 0.00 0.09 0.00 0.00 40.66 40.88 1pva h LEU 5 CO 0.00 0.82 -0.66 -0.76 0.09 0.00 0.00 178.44 177.94 1pva s LEU 6 N -8.83 3.48 -0.14 1.67 1.43 -1.14 -5.09 118.68 110.06 1pva s LEU 6 Ca -0.08 -0.14 -0.19 0.00 -1.03 0.00 0.00 54.13 52.70 1pva s LEU 6 Cb 0.14 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1pva s LEU 6 CO 0.81 0.20 0.51 -0.75 0.23 0.00 0.00 176.35 177.34 1pva s LYS 7 N -2.14 4.30 0.33 1.70 2.20 -1.26 -4.69 119.74 120.17 1pva s LYS 7 Ca 0.24 0.47 0.02 0.00 -0.36 0.00 0.00 55.97 56.35 1pva s LYS 7 Cb -0.12 -3.48 0.59 0.00 -1.51 0.00 0.00 37.83 33.31 1pva s LYS 7 CO 0.17 0.05 1.95 0.00 -0.36 0.00 0.00 175.35 177.16 1pva h ALA 8 N 6.95 1.55 -0.20 3.13 0.00 -1.97 -1.24 119.26 127.47 1pva h ALA 8 Ca -0.39 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1pva h ALA 8 Cb 1.17 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1pva h ALA 8 CO 0.75 0.36 -0.13 0.22 0.00 0.00 0.00 179.25 180.45 1pva h ASP 9 N 0.95 0.31 -0.45 0.00 3.58 -1.99 -0.94 116.42 117.88 1pva h ASP 9 Ca 0.32 -0.07 -0.08 0.00 0.42 0.00 0.00 57.03 57.63 1pva h ASP 9 Cb 0.10 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 1pva h ASP 9 CO -0.10 0.47 -0.02 0.44 -2.88 0.00 0.00 179.24 177.15 1pva h ASP 10 N 0.31 0.81 -0.30 2.28 3.32 -1.54 -0.85 116.42 120.45 1pva h ASP 10 Ca 0.06 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.77 1pva h ASP 10 Cb 0.42 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1pva h ASP 10 CO 0.02 0.93 0.11 0.40 -1.72 0.00 0.00 179.24 178.98 1pva h ILE 11 N 0.66 1.19 -0.79 0.35 2.04 -1.03 0.18 117.51 120.11 1pva h ILE 11 Ca 0.13 -0.59 0.09 0.00 1.00 0.00 0.00 64.86 65.48 1pva h ILE 11 Cb 0.53 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 1pva h ILE 11 CO 0.03 0.20 0.44 0.50 0.00 0.00 0.00 178.15 179.32 1pva h LYS 12 N 0.32 0.72 -0.36 2.37 3.64 -1.17 -1.48 116.57 120.61 1pva h LYS 12 Ca 0.10 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1pva h LYS 12 Cb 0.21 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1pva h LYS 12 CO -0.01 0.47 0.05 0.87 -2.27 0.00 0.00 179.45 178.57 1pva h LYS 13 N 0.74 0.60 -0.45 1.90 1.57 -0.11 -1.93 116.57 118.89 1pva h LYS 13 Ca 0.38 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 1pva h LYS 13 Cb 0.36 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1pva h LYS 13 CO -0.25 0.68 -0.17 0.00 -0.57 0.00 0.00 179.45 179.14 1pva h ALA 14 N 0.90 0.87 -0.26 3.86 0.00 -0.41 -2.24 119.26 121.97 1pva h ALA 14 Ca 0.11 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 1pva h ALA 14 Cb 0.37 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1pva h ALA 14 CO 0.01 0.64 -0.51 -0.07 0.00 0.00 0.00 179.25 179.32 1pva h LEU 15 N 0.76 0.81 -1.14 0.00 3.38 -1.20 -2.83 115.31 115.09 1pva h LEU 15 Ca 0.11 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1pva h LEU 15 Cb 0.69 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1pva h LEU 15 CO 0.05 1.17 0.51 0.44 0.09 0.00 0.00 178.44 180.70 1pva h ASP 16 N 0.58 0.96 0.80 -0.43 3.32 -1.12 -1.79 116.42 118.73 1pva h ASP 16 Ca 0.02 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1pva h ASP 16 Cb 1.08 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 1pva h ASP 16 CO 0.11 0.72 -0.14 0.00 -1.72 0.00 0.00 179.24 178.20 1pva h ALA 17 N 1.45 1.07 -0.20 3.45 0.00 -1.17 -2.91 119.26 120.94 1pva h ALA 17 Ca 0.29 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1pva h ALA 17 Cb -0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1pva h ALA 17 CO -0.06 0.18 -0.16 1.33 0.00 0.00 0.00 179.25 180.54 1pva n VAL 18 N -3.36 2.33 0.12 0.00 0.24 -0.73 -4.75 118.33 112.18 1pva n VAL 18 Ca -0.00 -2.68 -0.13 0.00 -2.04 0.00 0.00 64.34 59.49 1pva n VAL 18 Cb 0.35 -0.28 -0.06 0.00 -1.47 0.00 0.00 33.84 32.38 1pva n VAL 18 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1pva h LYS 19 N 0.98 -0.50 -6.71 7.34 3.64 -1.20 -3.42 116.57 116.70 1pva h LYS 19 Ca 0.10 0.03 -0.52 0.00 -1.27 0.00 0.00 60.65 59.00 1pva h LYS 19 Cb 1.37 0.11 0.03 0.00 -0.41 0.00 0.00 32.23 33.33 1pva h LYS 19 CO 0.21 -0.33 0.60 0.00 -2.27 0.00 0.00 179.45 177.66 1pva s ALA 20 N -6.04 3.48 0.25 5.00 0.00 -1.26 -4.96 121.76 118.23 1pva s ALA 20 Ca -0.16 1.06 -0.31 0.00 0.00 0.00 0.00 51.96 52.55 1pva s ALA 20 Cb 0.08 -3.44 -0.12 0.00 0.00 0.00 0.00 23.12 19.63 1pva s ALA 20 CO 0.65 -0.46 1.66 0.39 0.00 0.00 0.00 175.76 177.99 1pva n GLU 21 N 2.22 2.72 0.00 0.00 1.02 -1.26 -1.43 120.64 123.91 1pva n GLU 21 Ca 0.04 0.97 0.00 0.00 -0.02 0.00 0.00 57.16 58.15 1pva n GLU 21 Cb 0.43 -2.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.07 1pva n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pva n GLY 22 N 3.07 2.26 0.14 0.62 0.00 -1.26 -4.94 105.19 105.08 1pva n GLY 22 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1pva n GLY 22 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pva n SER 23 N 0.00 0.86 -4.71 1.61 3.41 -0.51 -4.90 113.62 109.38 1pva n SER 23 Ca 0.00 -0.66 -0.42 0.00 -0.26 0.00 0.00 58.87 57.53 1pva n SER 23 Cb 0.00 0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 1pva n SER 23 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1pva s PHE 24 N -2.73 3.19 -0.03 7.33 2.19 -1.26 -4.76 117.98 121.90 1pva s PHE 24 Ca 0.18 1.01 0.00 0.00 0.33 0.00 0.00 56.93 58.45 1pva s PHE 24 Cb 0.18 -3.61 0.03 0.00 -1.31 0.00 0.00 43.02 38.31 1pva s PHE 24 CO 0.61 -2.10 0.00 1.21 1.83 0.00 0.00 175.22 176.78 1pva s ASN 25 N 1.30 0.61 0.38 6.13 3.04 -1.26 -4.95 114.94 120.20 1pva s ASN 25 Ca 0.63 -0.03 0.10 0.00 0.04 0.00 0.00 52.86 53.60 1pva s ASN 25 Cb -0.33 -0.25 0.87 0.00 -1.54 0.00 0.00 41.25 40.00 1pva s ASN 25 CO 0.29 -0.11 1.93 1.12 -3.04 0.00 0.00 177.10 177.28 1pva h HIS 26 N 7.42 0.67 -0.10 0.43 2.07 -1.96 -1.25 115.15 122.43 1pva h HIS 26 Ca -0.38 0.02 -0.04 0.00 -2.85 0.00 0.00 60.37 57.12 1pva h HIS 26 Cb 1.13 -0.22 -0.00 0.00 2.57 0.00 0.00 27.41 30.90 1pva h HIS 26 CO 0.50 0.30 -0.09 -0.22 -3.07 0.00 0.00 177.93 175.34 1pva h LYS 27 N 0.61 0.24 -0.65 5.12 3.64 -1.96 0.07 116.57 123.64 1pva h LYS 27 Ca 0.36 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1pva h LYS 27 Cb 0.56 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 1pva h LYS 27 CO -0.13 0.65 0.35 -0.22 -2.27 0.00 0.00 179.45 177.83 1pva h LYS 28 N -0.17 0.91 -0.47 1.90 3.64 -1.93 -1.20 116.57 119.24 1pva h LYS 28 Ca 0.02 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 1pva h LYS 28 Cb 0.61 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1pva h LYS 28 CO 0.02 0.69 0.09 0.35 -2.27 0.00 0.00 179.45 178.33 1pva h PHE 29 N 0.89 0.82 -0.64 1.91 3.57 -1.07 -0.75 116.94 121.67 1pva h PHE 29 Ca 0.23 -0.11 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 1pva h PHE 29 Cb 0.05 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 1pva h PHE 29 CO -0.01 0.75 0.14 0.74 -2.23 0.00 0.00 178.31 177.71 1pva h PHE 30 N 0.65 1.05 0.19 0.41 0.04 -0.81 0.22 116.94 118.69 1pva h PHE 30 Ca 0.15 -0.12 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1pva h PHE 30 Cb 0.36 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1pva h PHE 30 CO 0.02 0.87 -0.09 0.00 -0.60 0.00 0.00 178.31 178.51 1pva h ALA 31 N 1.20 -0.26 -0.08 2.45 0.00 -0.46 -1.21 119.26 120.90 1pva h ALA 31 Ca 0.20 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1pva h ALA 31 Cb 0.35 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1pva h ALA 31 CO 0.00 -0.56 0.05 -0.07 0.00 0.00 0.00 179.25 178.67 1pva h LEU 32 N -0.42 0.09 -1.41 0.00 -0.00 -0.98 -2.99 115.31 109.61 1pva h LEU 32 Ca -0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1pva h LEU 32 Cb 0.32 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 1pva h LEU 32 CO 0.04 0.11 0.00 1.62 -0.00 0.00 0.00 178.44 180.21 1pva h VAL 33 N 0.07 0.00 0.00 1.22 3.04 -1.00 -3.44 116.25 116.15 1pva h VAL 33 Ca 0.03 -0.49 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1pva h VAL 33 Cb 0.03 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 1pva h VAL 33 CO -0.01 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.16 1pva n GLY 34 N 0.04 1.07 0.15 3.17 0.00 -0.80 -4.73 105.19 104.10 1pva n GLY 34 Ca 0.01 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.83 1pva n GLY 34 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pva h LEU 35 N 0.00 0.00 -0.53 0.99 3.38 -1.50 -3.38 115.31 114.27 1pva h LEU 35 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1pva h LEU 35 Cb 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1pva h LEU 35 CO 0.00 0.29 0.34 0.50 0.09 0.00 0.00 178.44 179.66 1pva h LYS 36 N 0.00 0.66 -0.72 1.13 3.64 -1.81 -2.55 116.57 116.92 1pva h LYS 36 Ca -0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1pva h LYS 36 Cb 1.24 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1pva h LYS 36 CO 0.03 0.44 0.00 0.00 -2.27 0.00 0.00 179.45 177.65 1pva n ALA 37 N -2.26 2.59 -1.80 5.00 0.00 -1.26 -4.72 120.51 118.07 1pva n ALA 37 Ca 0.03 -1.38 -0.35 0.00 0.00 0.00 0.00 53.44 51.74 1pva n ALA 37 Cb 0.05 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.47 1pva n ALA 37 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1pva s MET 38 N -1.25 4.38 0.66 0.00 0.00 -0.96 -5.03 119.30 117.09 1pva s MET 38 Ca 0.50 1.27 -0.16 0.00 0.00 0.00 0.00 55.69 57.30 1pva s MET 38 Cb 0.28 -2.51 -0.00 0.00 0.00 0.00 0.00 34.83 32.60 1pva s MET 38 CO 0.31 0.09 1.16 -1.54 0.00 0.00 0.00 175.02 175.04 1pva s SER 39 N -1.84 4.91 0.29 1.11 1.04 -1.26 -4.82 113.70 113.12 1pva s SER 39 Ca 0.56 2.19 0.03 0.00 0.48 0.00 0.00 55.95 59.21 1pva s SER 39 Cb -0.15 -2.57 0.65 0.00 0.10 0.00 0.00 66.02 64.04 1pva s SER 39 CO 0.20 -1.77 1.77 0.00 0.98 0.00 0.00 173.24 174.42 1pva h ALA 40 N 0.20 1.50 -0.59 5.32 0.00 -1.98 0.95 119.26 124.67 1pva h ALA 40 Ca -0.48 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 1pva h ALA 40 Cb 1.27 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1pva h ALA 40 CO 0.53 -0.06 0.15 -0.91 0.00 0.00 0.00 179.25 178.96 1pva h ASN 41 N 0.71 0.84 1.08 0.00 -0.26 -2.01 -1.64 115.58 114.30 1pva h ASN 41 Ca 0.53 -0.15 -0.19 0.00 -0.56 0.00 0.00 56.30 55.93 1pva h ASN 41 Cb 0.79 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.80 1pva h ASN 41 CO -0.38 0.81 -0.92 0.44 -1.06 0.00 0.00 177.43 176.33 1pva h ASP 42 N 0.87 0.00 0.06 5.81 3.32 -1.71 -3.13 116.42 121.64 1pva h ASP 42 Ca 0.19 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 1pva h ASP 42 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1pva h ASP 42 CO -0.00 0.91 -0.13 0.58 -1.72 0.00 0.00 179.24 178.88 1pva h VAL 43 N 0.00 1.16 -0.82 -1.35 2.07 -0.37 -1.21 116.25 115.73 1pva h VAL 43 Ca -0.01 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 66.84 1pva h VAL 43 Cb 1.70 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 32.65 1pva h VAL 43 CO 0.12 0.22 0.54 0.11 0.02 0.00 0.00 177.57 178.57 1pva h LYS 44 N 0.16 0.97 -0.43 1.57 1.57 -1.25 -0.06 116.57 119.09 1pva h LYS 44 Ca 0.03 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 1pva h LYS 44 Cb 0.34 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1pva h LYS 44 CO 0.02 0.64 -0.08 0.87 -0.57 0.00 0.00 179.45 180.33 1pva h LYS 45 N 1.00 0.75 -0.24 3.15 1.57 -1.29 -1.17 116.57 120.33 1pva h LYS 45 Ca 0.33 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 1pva h LYS 45 Cb 0.07 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1pva h LYS 45 CO -0.10 0.81 -0.17 0.28 -0.57 0.00 0.00 179.45 179.70 1pva h VAL 46 N 0.68 1.31 -0.56 0.50 2.07 -1.16 -2.62 116.25 116.47 1pva h VAL 46 Ca 0.12 -1.30 0.08 0.00 0.82 0.00 0.00 66.70 66.43 1pva h VAL 46 Cb 0.54 1.62 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 1pva h VAL 46 CO 0.03 0.40 0.20 0.15 0.02 0.00 0.00 177.57 178.38 1pva h PHE 47 N 0.26 0.35 -0.73 1.57 3.57 -0.79 -2.31 116.94 118.86 1pva h PHE 47 Ca 0.05 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1pva h PHE 47 Cb 0.70 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 1pva h PHE 47 CO 0.07 0.10 0.39 0.87 -2.23 0.00 0.00 178.31 177.51 1pva h LYS 48 N 0.38 1.01 -0.45 1.11 1.57 -1.05 0.57 116.57 119.71 1pva h LYS 48 Ca 0.28 -0.11 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 1pva h LYS 48 Cb 0.32 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1pva h LYS 48 CO -0.28 0.75 0.18 0.00 -0.57 0.00 0.00 179.45 179.52 1pva h ALA 49 N 1.41 0.55 0.00 3.86 0.00 -1.05 -3.11 119.26 120.92 1pva h ALA 49 Ca 0.26 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 55.01 1pva h ALA 49 Cb 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1pva h ALA 49 CO -0.04 -0.21 -0.88 0.82 0.00 0.00 0.00 179.25 178.94 1pva h ILE 50 N 0.36 1.48 -0.52 0.00 2.04 -0.83 -3.36 117.51 116.68 1pva h ILE 50 Ca 0.21 -2.59 -0.47 0.00 1.00 0.00 0.00 64.86 63.02 1pva h ILE 50 Cb 0.19 2.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.68 1pva h ILE 50 CO -0.20 0.76 1.55 -0.67 0.00 0.00 0.00 178.15 179.58 1pva n ASP 51 N -3.67 3.58 -0.01 1.72 2.03 0.05 -4.78 116.55 115.46 1pva n ASP 51 Ca -0.04 -2.76 -0.09 0.00 0.52 0.00 0.00 54.79 52.42 1pva n ASP 51 Cb 0.81 -1.69 -0.03 0.00 -0.72 0.00 0.00 41.12 39.48 1pva n ASP 51 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pva h ALA 52 N 8.85 0.04 -0.17 -1.67 0.00 -1.79 -2.33 119.26 122.20 1pva h ALA 52 Ca 0.31 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1pva h ALA 52 Cb 0.89 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1pva h ALA 52 CO 1.37 -0.53 0.00 -0.40 0.00 0.00 0.00 179.25 179.69 1pva n ASP 53 N -5.23 0.90 -2.38 0.00 5.68 -1.26 -4.90 116.55 109.37 1pva n ASP 53 Ca -0.03 -2.00 -0.15 0.00 -0.50 0.00 0.00 54.79 52.11 1pva n ASP 53 Cb 0.15 -0.12 -0.01 0.00 -1.14 0.00 0.00 41.12 40.00 1pva n ASP 53 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pva n ALA 54 N -0.01 -0.71 0.29 2.12 0.00 -0.88 -4.86 120.51 116.46 1pva n ALA 54 Ca 0.06 0.13 0.18 0.00 0.00 0.00 0.00 53.44 53.80 1pva n ALA 54 Cb 0.14 -1.69 0.84 0.00 0.00 0.00 0.00 19.45 18.74 1pva n ALA 54 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pva h SER 55 N 0.00 0.00 0.00 0.00 4.64 -1.91 -3.45 113.55 112.83 1pva h SER 55 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1pva h SER 55 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1pva h SER 55 CO 0.42 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 1pva n GLY 56 N -0.43 2.09 3.25 -0.77 0.00 -1.26 -5.05 105.19 103.02 1pva n GLY 56 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 1pva n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pva s PHE 57 N -2.50 1.48 -0.39 1.61 0.08 -1.26 -4.30 117.98 112.70 1pva s PHE 57 Ca 0.00 -0.52 -0.22 0.00 0.12 0.00 0.00 56.93 56.31 1pva s PHE 57 Cb 0.00 -0.78 0.01 0.00 -0.57 0.00 0.00 43.02 41.69 1pva s PHE 57 CO 0.00 0.16 0.74 0.42 -0.10 0.00 0.00 175.22 176.45 1pva s ILE 58 N -1.91 4.75 0.55 0.64 1.01 0.23 -4.78 121.20 121.69 1pva s ILE 58 Ca 0.08 0.67 -0.05 0.00 0.00 0.00 0.00 60.65 61.34 1pva s ILE 58 Cb -0.06 -4.21 -0.00 0.00 0.01 0.00 0.00 42.46 38.20 1pva s ILE 58 CO 0.04 -0.48 0.85 -1.61 0.00 0.00 0.00 174.94 173.74 1pva s GLU 59 N 3.04 3.10 0.21 2.79 8.01 -1.26 -1.11 118.70 133.48 1pva s GLU 59 Ca 0.29 0.02 -0.11 0.00 0.01 0.00 0.00 54.97 55.18 1pva s GLU 59 Cb -0.13 -2.32 0.28 0.00 -4.31 0.00 0.00 34.13 27.65 1pva s GLU 59 CO 0.18 -0.54 1.69 1.49 0.01 0.00 0.00 175.26 178.09 1pva h GLU 60 N -0.03 0.20 -0.46 1.61 4.81 -1.98 -0.58 114.58 118.15 1pva h GLU 60 Ca -0.46 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 58.78 1pva h GLU 60 Cb 1.24 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1pva h GLU 60 CO 0.61 0.13 0.31 0.93 -0.73 0.00 0.00 179.01 180.25 1pva h GLU 61 N 0.20 0.55 -0.11 1.92 4.39 -1.97 0.19 114.58 119.76 1pva h GLU 61 Ca 0.31 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.84 1pva h GLU 61 Cb 0.47 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1pva h GLU 61 CO -0.43 0.37 -0.51 0.93 -1.16 0.00 0.00 179.01 178.20 1pva h GLU 62 N 0.57 0.29 -0.59 2.33 5.08 -1.49 -2.83 114.58 117.94 1pva h GLU 62 Ca 0.18 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1pva h GLU 62 Cb 0.02 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1pva h GLU 62 CO -0.04 0.74 0.07 -0.07 -1.00 0.00 0.00 179.01 178.71 1pva h LEU 63 N 0.23 0.95 -2.05 1.33 3.38 0.30 -2.48 115.31 116.98 1pva h LEU 63 Ca 0.01 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.71 1pva h LEU 63 Cb 0.98 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1pva h LEU 63 CO 0.08 0.99 0.02 0.50 0.09 0.00 0.00 178.44 180.12 1pva h LYS 64 N 0.89 0.00 -0.61 1.13 3.64 -0.97 -1.84 116.57 118.80 1pva h LYS 64 Ca 0.18 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1pva h LYS 64 Cb 0.45 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1pva h LYS 64 CO 0.02 0.00 0.03 1.19 -2.27 0.00 0.00 179.45 178.42 1pva n PHE 65 N -4.46 2.09 -0.28 1.91 3.72 -0.95 -1.33 117.46 118.16 1pva n PHE 65 Ca -0.02 -0.76 0.05 0.00 -0.05 0.00 0.00 57.45 56.67 1pva n PHE 65 Cb 0.12 -0.53 0.27 0.00 -0.94 0.00 0.00 39.48 38.40 1pva n PHE 65 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 1pva h VAL 66 N 3.78 1.04 0.00 -4.37 3.04 -1.17 -1.24 116.25 117.33 1pva h VAL 66 Ca 0.03 -0.33 -0.03 0.00 -1.01 0.00 0.00 66.70 65.36 1pva h VAL 66 Cb 2.00 -0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 31.27 1pva h VAL 66 CO 0.51 0.18 -0.14 -0.07 -1.01 0.00 0.00 177.57 177.04 1pva h LEU 67 N 0.96 0.00 -1.61 3.16 3.38 -1.83 -2.14 115.31 117.23 1pva h LEU 67 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1pva h LEU 67 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1pva h LEU 67 CO -0.14 0.14 0.00 0.11 0.09 0.00 0.00 178.44 178.63 1pva h LYS 68 N 0.00 0.00 0.00 1.13 1.57 -1.35 0.22 116.57 118.14 1pva h LYS 68 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pva h LYS 68 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1pva h LYS 68 CO 0.02 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.33 1pva n SER 69 N -2.89 0.71 -0.06 0.86 7.64 -0.81 -3.51 113.62 115.56 1pva n SER 69 Ca 0.00 0.62 -0.06 0.00 1.01 0.00 0.00 58.87 60.44 1pva n SER 69 Cb 0.23 -0.79 -0.09 0.00 -1.01 0.00 0.00 64.21 62.56 1pva n SER 69 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1pva n PHE 70 N -2.22 0.00 -3.62 1.43 3.72 0.52 -4.37 117.46 112.92 1pva n PHE 70 Ca 0.04 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.30 1pva n PHE 70 Cb 0.33 -0.57 -0.07 0.00 -0.94 0.00 0.00 39.48 38.23 1pva n PHE 70 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pva s ALA 71 N -2.28 -1.78 0.36 4.37 0.00 0.28 -5.03 121.76 117.68 1pva s ALA 71 Ca -0.07 1.96 0.05 0.00 0.00 0.00 0.00 51.96 53.90 1pva s ALA 71 Cb 0.04 -1.07 0.73 0.00 0.00 0.00 0.00 23.12 22.82 1pva s ALA 71 CO 0.46 -0.34 1.97 0.00 0.00 0.00 0.00 175.76 177.84 1pva h ALA 72 N 4.79 1.68 -0.56 0.00 0.00 -1.84 -1.00 119.26 122.33 1pva h ALA 72 Ca -0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1pva h ALA 72 Cb 1.16 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1pva h ALA 72 CO 0.08 0.21 0.00 -0.40 0.00 0.00 0.00 179.25 179.15 1pva n ASP 73 N -4.47 3.98 -4.75 0.00 5.68 -1.26 -4.91 116.55 110.82 1pva n ASP 73 Ca 0.10 -2.32 -0.41 0.00 -0.50 0.00 0.00 54.79 51.66 1pva n ASP 73 Cb 0.20 -0.51 -0.02 0.00 -1.14 0.00 0.00 41.12 39.65 1pva n ASP 73 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1pva s GLY 74 N -0.85 2.34 0.71 6.12 0.00 -0.38 -4.97 107.32 110.30 1pva s GLY 74 Ca 0.43 1.39 -0.12 0.00 0.00 0.00 0.00 44.72 46.42 1pva s GLY 74 CO 0.22 2.32 1.09 1.09 0.00 0.00 0.00 173.10 177.82 1pva s ARG 75 N -0.58 2.61 0.49 2.90 1.70 -1.26 -4.55 118.95 120.26 1pva s ARG 75 Ca 0.59 1.21 -0.23 0.00 -0.47 0.00 0.00 55.73 56.84 1pva s ARG 75 Cb -0.43 -1.94 -0.06 0.00 -0.57 0.00 0.00 34.95 31.94 1pva s ARG 75 CO 0.46 -1.38 1.25 -0.51 -1.08 0.00 0.00 175.30 174.05 1pva s ASP 76 N -3.14 5.81 0.52 -2.89 1.01 -1.26 -4.54 116.67 112.18 1pva s ASP 76 Ca 0.63 2.52 -0.20 0.00 0.71 0.00 0.00 52.55 56.21 1pva s ASP 76 Cb -0.18 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 41.07 1pva s ASP 76 CO 0.50 -1.18 1.10 -0.76 0.21 0.00 0.00 175.17 175.03 1pva s LEU 77 N -3.19 3.80 1.02 1.23 1.43 -0.44 -5.05 118.68 117.48 1pva s LEU 77 Ca 0.66 2.09 -0.12 0.00 -1.03 0.00 0.00 54.13 55.73 1pva s LEU 77 Cb -0.34 -4.55 0.20 0.00 0.03 0.00 0.00 46.19 41.52 1pva s LEU 77 CO 0.41 -1.04 1.08 0.42 0.23 0.00 0.00 176.35 177.45 1pva s THR 78 N -1.83 2.19 0.14 5.49 -4.23 -1.26 -4.81 115.64 111.33 1pva s THR 78 Ca 0.70 0.06 -0.19 0.00 -1.18 0.00 0.00 61.69 61.09 1pva s THR 78 Cb -0.21 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.20 1pva s THR 78 CO 0.25 -0.08 1.71 -0.78 -0.54 0.00 0.00 174.62 175.17 1pva h ASP 79 N -2.01 -0.15 -0.82 3.99 3.58 -1.99 0.02 116.42 119.05 1pva h ASP 79 Ca -0.55 0.07 -0.03 0.00 0.42 0.00 0.00 57.03 56.94 1pva h ASP 79 Cb 1.32 0.13 -0.04 0.00 1.72 0.00 0.00 39.33 42.46 1pva h ASP 79 CO 0.54 -0.04 0.38 0.00 -2.88 0.00 0.00 179.24 177.25 1pva h ALA 80 N 1.24 1.13 -0.50 -0.78 0.00 -1.99 0.95 119.26 119.31 1pva h ALA 80 Ca 0.13 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1pva h ALA 80 Cb 0.18 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1pva h ALA 80 CO -0.23 0.65 -0.10 0.93 0.00 0.00 0.00 179.25 180.50 1pva h GLU 81 N 1.17 0.92 -0.22 0.00 5.08 -1.85 -1.01 114.58 118.68 1pva h GLU 81 Ca 0.28 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1pva h GLU 81 Cb 0.13 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1pva h GLU 81 CO -0.03 0.97 -0.15 1.15 -1.00 0.00 0.00 179.01 179.95 1pva h THR 82 N 0.83 1.32 -0.51 1.13 2.02 -0.51 -2.09 112.91 115.09 1pva h THR 82 Ca 0.14 -1.27 0.02 0.00 0.77 0.00 0.00 66.41 66.06 1pva h THR 82 Cb 0.63 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.68 1pva h THR 82 CO 0.04 0.39 0.32 0.11 0.37 0.00 0.00 175.52 176.75 1pva h LYS 83 N 0.18 0.62 -0.49 6.66 6.56 -0.79 -0.27 116.57 129.04 1pva h LYS 83 Ca 0.04 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 1pva h LYS 83 Cb 0.68 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 32.17 1pva h LYS 83 CO 0.04 0.41 0.25 0.00 -2.06 0.00 0.00 179.45 178.09 1pva h ALA 84 N 1.22 0.63 0.26 3.86 0.00 -1.17 -0.49 119.26 123.56 1pva h ALA 84 Ca 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1pva h ALA 84 Cb -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1pva h ALA 84 CO -0.08 0.17 -0.16 0.35 0.00 0.00 0.00 179.25 179.53 1pva h PHE 85 N 0.64 -0.42 -0.50 0.00 3.04 -1.26 -1.94 116.94 116.51 1pva h PHE 85 Ca 0.17 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.19 1pva h PHE 85 Cb 0.08 0.15 -0.06 0.00 2.56 0.00 0.00 35.95 38.68 1pva h PHE 85 CO -0.01 -0.25 0.16 1.25 -2.02 0.00 0.00 178.31 177.44 1pva h LEU 86 N -0.41 0.15 -0.59 0.59 6.46 -0.94 -1.97 115.31 118.60 1pva h LEU 86 Ca -0.03 0.07 -0.09 0.00 -0.12 0.00 0.00 57.88 57.71 1pva h LEU 86 Cb 0.34 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 1pva h LEU 86 CO 0.03 0.11 0.02 0.50 -0.62 0.00 0.00 178.44 178.47 1pva h LYS 87 N 0.33 1.03 -0.21 1.25 3.64 -0.99 0.25 116.57 121.87 1pva h LYS 87 Ca 0.24 -0.32 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 1pva h LYS 87 Cb 0.27 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1pva h LYS 87 CO -0.26 1.01 -0.24 0.00 -2.27 0.00 0.00 179.45 177.69 1pva h ALA 88 N 0.98 1.20 0.08 5.00 0.00 -1.14 -3.30 119.26 122.08 1pva h ALA 88 Ca 0.17 -0.32 -0.32 0.00 0.00 0.00 0.00 54.91 54.44 1pva h ALA 88 Cb 0.53 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1pva h ALA 88 CO 0.03 0.52 -1.77 0.00 0.00 0.00 0.00 179.25 178.02 1pva h ALA 89 N 1.40 0.52 -1.02 0.00 0.00 -0.80 -3.44 119.26 115.92 1pva h ALA 89 Ca 0.05 -1.35 -0.56 0.00 0.00 0.00 0.00 54.91 53.06 1pva h ALA 89 Cb 0.61 0.52 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 1pva h ALA 89 CO 0.04 1.37 1.44 0.34 0.00 0.00 0.00 179.25 182.45 1pva s ASP 90 N -6.67 6.32 0.25 0.00 2.15 0.83 -4.77 116.67 114.77 1pva s ASP 90 Ca -0.12 -1.43 0.09 0.00 0.43 0.00 0.00 52.55 51.52 1pva s ASP 90 Cb 0.07 -2.57 0.27 0.00 -0.30 0.00 0.00 42.92 40.39 1pva s ASP 90 CO 0.81 -1.68 1.56 0.11 -0.17 0.00 0.00 175.17 175.80 1pva h LYS 91 N 9.82 0.04 -0.11 4.34 1.79 -1.85 -3.31 116.57 127.29 1pva h LYS 91 Ca 0.21 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 1pva h LYS 91 Cb 1.00 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 1pva h LYS 91 CO 1.40 0.69 0.00 -0.40 -1.08 0.00 0.00 179.45 180.06 1pva n ASP 92 N -3.76 2.57 -0.33 0.86 5.68 -1.26 -5.00 116.55 115.30 1pva n ASP 92 Ca -0.01 -1.75 -0.04 0.00 -0.50 0.00 0.00 54.79 52.49 1pva n ASP 92 Cb 0.66 -0.06 -0.02 0.00 -1.14 0.00 0.00 41.12 40.56 1pva n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pva n GLY 93 N 0.95 0.72 0.23 6.12 0.00 -1.25 -4.90 105.19 107.06 1pva n GLY 93 Ca 0.11 -0.84 0.14 0.00 0.00 0.00 0.00 46.02 45.43 1pva n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pva n ASP 94 N 1.23 0.78 0.00 1.61 5.75 -1.26 -4.93 116.55 119.74 1pva n ASP 94 Ca -0.04 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.71 1pva n ASP 94 Cb 0.15 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1pva n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pva n GLY 95 N 1.19 0.67 3.31 6.12 0.00 -1.26 -5.03 105.19 110.18 1pva n GLY 95 Ca 0.18 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 1pva n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pva s LYS 96 N -0.45 1.54 -0.17 1.61 -2.85 -1.26 -4.40 119.74 113.76 1pva s LYS 96 Ca 0.00 -1.76 0.01 0.00 -1.00 0.00 0.00 55.97 53.22 1pva s LYS 96 Cb 0.00 0.33 0.01 0.00 -2.06 0.00 0.00 37.83 36.12 1pva s LYS 96 CO 0.00 -0.57 -0.19 0.42 0.10 0.00 0.00 175.35 175.12 1pva s ILE 97 N -3.72 2.24 0.67 3.79 1.01 -0.27 -4.66 121.20 120.26 1pva s ILE 97 Ca 0.37 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 1pva s ILE 97 Cb 0.04 -1.94 0.06 0.00 0.01 0.00 0.00 42.46 40.63 1pva s ILE 97 CO 0.19 0.53 0.96 -0.83 0.00 0.00 0.00 174.94 175.78 1pva s GLY 98 N 1.15 1.74 0.30 6.18 0.00 -1.26 -0.60 107.32 114.82 1pva s GLY 98 Ca 0.01 -1.12 -0.01 0.00 0.00 0.00 0.00 44.72 43.60 1pva s GLY 98 CO -0.08 -0.72 1.96 1.19 0.00 0.00 0.00 173.10 175.44 1pva h ILE 99 N -0.44 1.18 -0.29 0.90 6.09 -2.00 -1.16 117.51 121.79 1pva h ILE 99 Ca -0.43 -0.38 -0.18 0.00 -1.37 0.00 0.00 64.86 62.50 1pva h ILE 99 Cb 1.30 -0.02 -0.00 0.00 0.47 0.00 0.00 36.82 38.57 1pva h ILE 99 CO 0.55 0.20 -0.53 0.44 -3.07 0.00 0.00 178.15 175.74 1pva h ASP 100 N 1.10 0.96 -0.89 2.19 5.19 -1.97 0.11 116.42 123.12 1pva h ASP 100 Ca 0.32 -0.51 0.01 0.00 -0.62 0.00 0.00 57.03 56.23 1pva h ASP 100 Cb -0.05 -0.27 -0.04 0.00 0.18 0.00 0.00 39.33 39.14 1pva h ASP 100 CO -0.08 1.30 0.58 -0.33 -3.12 0.00 0.00 179.24 177.59 1pva h GLU 101 N 0.67 1.18 -0.20 3.56 5.08 -1.81 -1.23 114.58 121.82 1pva h GLU 101 Ca 0.02 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1pva h GLU 101 Cb 1.14 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1pva h GLU 101 CO 0.12 0.79 -0.10 0.35 -1.00 0.00 0.00 179.01 179.17 1pva h PHE 102 N 1.21 0.48 -0.42 4.33 3.57 -0.55 -1.02 116.94 124.54 1pva h PHE 102 Ca 0.32 -0.12 0.06 0.00 3.53 0.00 0.00 57.97 61.77 1pva h PHE 102 Cb -0.13 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.45 1pva h PHE 102 CO 0.00 0.71 0.11 0.93 -2.23 0.00 0.00 178.31 177.83 1pva h GLU 103 N 0.11 0.24 -0.29 1.11 4.39 -0.89 -1.46 114.58 117.79 1pva h GLU 103 Ca 0.04 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1pva h GLU 103 Cb 0.59 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1pva h GLU 103 CO 0.03 0.16 0.13 1.15 -1.16 0.00 0.00 179.01 179.32 1pva h THR 104 N 0.25 1.17 -0.62 1.13 2.02 -1.15 -2.34 112.91 113.35 1pva h THR 104 Ca 0.20 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 1pva h THR 104 Cb 0.23 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1pva h THR 104 CO -0.24 0.17 0.37 0.25 0.37 0.00 0.00 175.52 176.44 1pva h LEU 105 N 0.33 0.75 -1.20 2.58 5.85 -0.98 0.11 115.31 122.75 1pva h LEU 105 Ca 0.10 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1pva h LEU 105 Cb 0.15 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1pva h LEU 105 CO -0.01 0.59 0.16 0.58 -0.34 0.00 0.00 178.44 179.43 1pva h VAL 106 N 0.85 1.20 -0.26 1.05 2.07 -1.17 -3.15 116.25 116.83 1pva h VAL 106 Ca 0.22 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1pva h VAL 106 Cb -0.02 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1pva h VAL 106 CO -0.04 0.25 0.00 1.41 0.02 0.00 0.00 177.57 179.21 1pva n HIS 107 N -4.33 0.33 0.38 1.57 8.25 -0.89 -4.30 115.22 116.23 1pva n HIS 107 Ca 0.04 -0.24 0.05 0.00 -0.26 0.00 0.00 57.72 57.31 1pva n HIS 107 Cb 0.18 -0.01 0.22 0.00 1.12 0.00 0.00 29.99 31.51 1pva n HIS 107 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1pva n GLU 108 N 0.99 0.03 0.00 -0.41 0.28 0.35 -5.05 120.64 116.83 1pva n GLU 108 Ca 0.13 0.30 0.00 0.00 -0.16 0.00 0.00 57.16 57.43 1pva n GLU 108 Cb 0.47 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.84 1pva n GLU 108 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97