#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i63 s PHE 4 N 0.00 1.24 -0.11 0.00 5.36 0.14 -4.76 117.98 119.84 3i63 s PHE 4 Ca 0.00 -1.47 -0.29 0.00 -0.96 0.00 0.00 56.93 54.20 3i63 s PHE 4 Cb 0.00 -1.44 -0.03 0.00 -0.34 0.00 0.00 43.02 41.21 3i63 s PHE 4 CO 0.00 -0.86 1.38 -1.25 -1.46 0.00 0.00 175.22 173.03 3i63 s PRO 5 N 1.73 4.23 0.35 10.12 0.04 -1.26 -1.01 135.00 149.19 3i63 s PRO 5 Ca 0.10 1.84 0.09 0.00 0.04 0.00 0.00 61.00 63.06 3i63 s PRO 5 Cb -0.17 -3.79 -0.05 0.00 0.04 0.00 0.00 34.50 30.52 3i63 s PRO 5 CO -0.28 -0.72 0.06 0.14 0.04 0.00 0.00 177.00 176.24 3i63 s VAL 6 N 3.46 2.72 -0.17 -0.36 -7.23 -0.86 0.28 120.40 118.24 3i63 s VAL 6 Ca 0.61 -1.87 -0.05 0.00 -1.81 0.00 0.00 61.98 58.86 3i63 s VAL 6 Cb -0.26 -2.87 -0.03 0.00 0.56 0.00 0.00 36.38 33.78 3i63 s VAL 6 CO 0.20 -0.18 -0.01 -1.00 -0.31 0.00 0.00 175.10 173.81 3i63 s HIS 7 N -2.50 3.09 -0.03 2.82 3.76 -0.93 -0.74 115.29 120.77 3i63 s HIS 7 Ca 0.36 -0.20 0.04 0.00 -0.15 0.00 0.00 55.06 55.11 3i63 s HIS 7 Cb -0.00 -2.00 -0.00 0.00 1.11 0.00 0.00 32.58 31.68 3i63 s HIS 7 CO 0.20 0.01 -0.14 0.00 -0.85 0.00 0.00 174.74 173.97 3i63 s ALA 8 N 0.40 1.21 -0.28 -1.40 0.00 0.57 -0.49 121.76 121.77 3i63 s ALA 8 Ca -0.02 -0.56 -0.05 0.00 0.00 0.00 0.00 51.96 51.34 3i63 s ALA 8 Cb -0.14 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.62 3i63 s ALA 8 CO 0.02 0.24 0.03 0.00 0.00 0.00 0.00 175.76 176.05 3i63 s ALA 9 N -0.05 2.93 0.00 0.00 0.00 0.04 -1.24 121.76 123.44 3i63 s ALA 9 Ca -0.00 -1.50 -0.22 0.00 0.00 0.00 0.00 51.96 50.24 3i63 s ALA 9 Cb -0.09 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 3i63 s ALA 9 CO 0.01 -0.94 0.65 0.12 0.00 0.00 0.00 175.76 175.60 3i63 s PHE 10 N 1.42 3.69 -0.20 0.00 2.19 -1.26 -1.45 117.98 122.37 3i63 s PHE 10 Ca 0.01 1.28 -0.40 0.00 0.33 0.00 0.00 56.93 58.16 3i63 s PHE 10 Cb -0.17 -2.69 -0.16 0.00 -1.31 0.00 0.00 43.02 38.69 3i63 s PHE 10 CO 0.00 0.31 1.64 -1.91 1.83 0.00 0.00 175.22 177.09 3i63 n GLU 11 N 2.83 1.11 -0.33 10.12 2.13 0.91 -1.20 120.64 136.21 3i63 n GLU 11 Ca -0.05 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.17 3i63 n GLU 11 Cb 0.51 -2.07 0.00 0.00 0.27 0.00 0.00 31.44 30.15 3i63 n GLU 11 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3i63 n LYS 12 N 4.63 0.00 -1.07 5.31 5.02 -1.26 -5.00 118.16 125.79 3i63 n LYS 12 Ca 0.25 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.25 3i63 n LYS 12 Cb 0.14 -1.78 0.19 0.00 -0.02 0.00 0.00 35.03 33.56 3i63 n LYS 12 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i63 s ASP 13 N -3.61 2.23 0.00 4.39 -1.08 -0.34 -4.92 116.67 113.33 3i63 s ASP 13 Ca 0.00 1.18 0.18 0.00 -0.52 0.00 0.00 52.55 53.39 3i63 s ASP 13 Cb 0.00 -1.85 -0.17 0.00 -1.46 0.00 0.00 42.92 39.43 3i63 s ASP 13 CO 0.00 -3.38 0.78 2.22 0.52 0.00 0.00 175.17 175.31 3i63 n PHE 14 N -4.34 0.00 -4.20 -5.34 1.16 -1.26 -4.94 117.46 98.54 3i63 n PHE 14 Ca 0.05 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.45 3i63 n PHE 14 Cb 0.57 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.38 3i63 n PHE 14 CO 0.00 0.00 0.00 1.47 -1.87 0.00 0.00 176.76 176.36 3i63 n LEU 15 N -1.28 0.00 -4.66 5.98 -0.00 -1.26 -5.14 117.00 110.64 3i63 n LEU 15 Ca 0.04 -3.00 -0.35 0.00 -0.00 0.00 0.00 56.01 52.70 3i63 n LEU 15 Cb 0.29 1.91 -0.10 0.00 -0.00 0.00 0.00 43.42 45.53 3i63 n LEU 15 CO 0.35 -0.56 -0.28 -0.69 -0.00 0.00 0.00 177.39 176.21 3i63 s VAL 16 N -3.16 4.51 0.16 1.47 1.01 -1.26 -4.29 120.40 118.84 3i63 s VAL 16 Ca 0.36 -0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.27 3i63 s VAL 16 Cb 0.01 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 3i63 s VAL 16 CO 0.25 0.55 -0.20 -1.10 0.00 0.00 0.00 175.10 174.60 3i63 s GLN 17 N -0.31 1.30 -0.13 2.72 -0.21 -0.37 -4.88 119.66 117.76 3i63 s GLN 17 Ca 0.07 -1.39 -0.29 0.00 0.02 0.00 0.00 55.36 53.77 3i63 s GLN 17 Cb -0.12 -1.43 -0.02 0.00 1.00 0.00 0.00 33.01 32.44 3i63 s GLN 17 CO 0.02 0.30 1.19 -1.17 -2.12 0.00 0.00 175.29 173.51 3i63 s LEU 18 N -2.56 4.21 -0.09 2.90 2.96 -1.26 -0.32 118.68 124.53 3i63 s LEU 18 Ca 0.15 1.67 0.02 0.00 -0.22 0.00 0.00 54.13 55.76 3i63 s LEU 18 Cb -0.07 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.09 3i63 s LEU 18 CO 0.07 -0.66 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.60 3i63 s VAL 19 N 2.90 1.40 -0.57 1.68 1.01 0.08 -4.95 120.40 121.95 3i63 s VAL 19 Ca 0.53 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.70 3i63 s VAL 19 Cb -0.21 -1.27 0.07 0.00 0.00 0.00 0.00 36.38 34.97 3i63 s VAL 19 CO 0.16 0.42 0.76 -0.69 0.00 0.00 0.00 175.10 175.75 3i63 s VAL 20 N 0.78 4.68 0.17 2.92 1.01 -1.26 -2.03 120.40 126.67 3i63 s VAL 20 Ca -0.11 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3i63 s VAL 20 Cb -0.16 -4.46 0.03 0.00 0.00 0.00 0.00 36.38 31.79 3i63 s VAL 20 CO 0.02 -1.07 0.24 1.33 0.00 0.00 0.00 175.10 175.62 3i63 n VAL 21 N 5.74 0.00 -4.71 2.92 0.24 -0.18 -4.81 118.33 117.53 3i63 n VAL 21 Ca -0.06 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.41 3i63 n VAL 21 Cb 0.45 -0.99 -0.12 0.00 -1.47 0.00 0.00 33.84 31.71 3i63 n VAL 21 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i63 s ASP 22 N -2.03 4.39 0.20 -1.34 -1.08 -1.26 0.24 116.67 115.79 3i63 s ASP 22 Ca 0.17 -0.11 0.05 0.00 -0.52 0.00 0.00 52.55 52.14 3i63 s ASP 22 Cb -0.01 -1.02 0.58 0.00 -1.46 0.00 0.00 42.92 41.00 3i63 s ASP 22 CO 0.11 0.35 0.97 -0.11 0.52 0.00 0.00 175.17 177.00 3i63 n LEU 23 N 2.16 0.01 -1.05 -1.34 7.94 -1.26 -1.67 117.00 121.79 3i63 n LEU 23 Ca -0.17 1.04 0.09 0.00 -1.11 0.00 0.00 56.01 55.86 3i63 n LEU 23 Cb 0.53 -0.42 0.24 0.00 0.53 0.00 0.00 43.42 44.30 3i63 n LEU 23 CO 0.27 -1.09 0.71 0.59 -1.11 0.00 0.00 177.39 176.76 3i63 n ASN 24 N -4.68 3.49 -4.76 1.96 3.02 -1.26 -2.15 115.26 110.87 3i63 n ASN 24 Ca 0.17 -1.98 -0.41 0.00 -0.03 0.00 0.00 54.58 52.33 3i63 n ASN 24 Cb 0.57 -0.36 -0.01 0.00 -0.61 0.00 0.00 39.78 39.36 3i63 n ASN 24 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3i63 s ASP 25 N -1.04 6.46 0.64 6.41 1.01 -0.67 -4.70 116.67 124.78 3i63 s ASP 25 Ca 0.38 2.90 -0.17 0.00 0.71 0.00 0.00 52.55 56.37 3i63 s ASP 25 Cb 0.20 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.48 3i63 s ASP 25 CO 0.26 -0.82 1.18 -0.94 0.21 0.00 0.00 175.17 175.07 3i63 s SER 26 N 0.13 4.92 0.53 0.27 1.04 -1.26 -0.46 113.70 118.87 3i63 s SER 26 Ca 0.57 2.28 0.24 0.00 0.48 0.00 0.00 55.95 59.52 3i63 s SER 26 Cb -0.45 -2.58 1.39 0.00 0.10 0.00 0.00 66.02 64.48 3i63 s SER 26 CO 0.53 -1.77 2.02 0.24 0.98 0.00 0.00 173.24 175.24 3i63 h MET 27 N 0.37 0.00 -0.85 4.02 2.86 -0.25 0.00 114.93 121.08 3i63 h MET 27 Ca -0.49 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.16 3i63 h MET 27 Cb 1.28 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.90 3i63 h MET 27 CO 0.53 0.00 0.56 -0.44 1.06 0.00 0.00 176.91 178.62 3i63 h ASP 28 N 0.00 0.96 0.06 1.22 3.32 -1.78 -0.30 116.42 119.90 3i63 h ASP 28 Ca 0.21 -0.02 -0.18 0.00 0.02 0.00 0.00 57.03 57.06 3i63 h ASP 28 Cb 0.85 -0.24 0.02 0.00 0.22 0.00 0.00 39.33 40.18 3i63 h ASP 28 CO -0.00 0.69 -0.72 1.56 -1.72 0.00 0.00 179.24 179.04 3i63 h GLN 29 N 1.13 0.38 -0.72 3.56 4.20 -1.36 -2.65 115.11 119.66 3i63 h GLN 29 Ca 0.31 -0.49 0.15 0.00 0.06 0.00 0.00 58.65 58.68 3i63 h GLN 29 Cb -0.11 0.16 -0.13 0.00 0.30 0.00 0.00 27.48 27.70 3i63 h GLN 29 CO -0.08 1.17 -0.16 0.28 -0.67 0.00 0.00 178.83 179.38 3i63 h VAL 30 N -0.18 0.29 -0.53 -0.54 2.07 -1.18 -0.62 116.25 115.56 3i63 h VAL 30 Ca -0.11 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 3i63 h VAL 30 Cb 1.48 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3i63 h VAL 30 CO 0.14 0.00 0.32 0.00 0.02 0.00 0.00 177.57 178.05 3i63 h ALA 31 N 1.71 0.68 -0.72 1.67 0.00 -0.94 -0.87 119.26 120.78 3i63 h ALA 31 Ca 0.35 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.27 3i63 h ALA 31 Cb 0.54 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 3i63 h ALA 31 CO -0.73 0.17 0.38 0.93 0.00 0.00 0.00 179.25 180.01 3i63 h GLU 32 N 0.72 0.64 -0.29 0.00 4.39 -1.10 0.92 114.58 119.86 3i63 h GLU 32 Ca 0.19 -0.04 -0.14 0.00 0.34 0.00 0.00 59.36 59.71 3i63 h GLU 32 Cb -0.00 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 3i63 h GLU 32 CO -0.04 0.43 -0.41 0.87 -1.16 0.00 0.00 179.01 178.70 3i63 h LYS 33 N 0.66 0.69 -0.04 2.33 1.57 0.16 0.47 116.57 122.42 3i63 h LYS 33 Ca 0.35 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3i63 h LYS 33 Cb 0.32 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3i63 h LYS 33 CO -0.24 0.97 -0.05 0.28 -0.57 0.00 0.00 179.45 179.84 3i63 h VAL 34 N 0.57 1.39 -1.01 0.50 2.07 -1.11 -3.14 116.25 115.51 3i63 h VAL 34 Ca 0.05 -1.22 0.24 0.00 0.82 0.00 0.00 66.70 66.59 3i63 h VAL 34 Cb 0.94 2.11 -0.11 0.00 -1.52 0.00 0.00 31.29 32.71 3i63 h VAL 34 CO 0.09 0.33 0.62 0.00 0.02 0.00 0.00 177.57 178.62 3i63 h ALA 35 N 0.53 1.88 -0.91 1.67 0.00 -0.56 0.18 119.26 122.05 3i63 h ALA 35 Ca 0.01 0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.27 3i63 h ALA 35 Cb 0.56 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.19 3i63 h ALA 35 CO 0.01 -0.32 0.16 -0.92 0.00 0.00 0.00 179.25 178.18 3i63 h TYR 36 N 0.56 0.21 -0.35 0.00 3.20 -0.85 0.22 116.97 119.97 3i63 h TYR 36 Ca 0.62 0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.55 3i63 h TYR 36 Cb 1.24 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.57 3i63 h TYR 36 CO -0.00 -0.31 0.00 0.72 -1.64 0.00 0.00 178.16 176.93 3i63 n HIS 37 N -5.33 1.10 0.09 -3.82 8.25 0.64 -4.55 115.22 111.60 3i63 n HIS 37 Ca 0.22 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 3i63 n HIS 37 Cb 0.73 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.56 3i63 n HIS 37 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i63 s VAL 39 N -1.51 2.25 0.00 0.00 1.01 -0.55 -0.71 120.40 120.89 3i63 s VAL 39 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3i63 s VAL 39 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.23 3i63 s VAL 39 CO 0.00 0.05 0.00 0.59 0.00 0.00 0.00 175.10 175.74 3i63 n ASN 40 N 1.24 0.00 -0.06 3.32 3.02 0.35 -4.72 115.26 118.41 3i63 n ASN 40 Ca 0.04 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.49 3i63 n ASN 40 Cb 0.39 -0.95 -0.03 0.00 -0.61 0.00 0.00 39.78 38.59 3i63 n ASN 40 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i63 n ARG 41 N -2.00 0.38 0.00 3.52 1.74 -0.69 -4.85 116.66 114.76 3i63 n ARG 41 Ca 0.00 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 3i63 n ARG 41 Cb 0.00 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3i63 n ARG 41 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i63 n ARG 42 N -4.11 -0.11 -4.21 5.56 1.74 0.11 -5.05 116.66 110.59 3i63 n ARG 42 Ca -0.16 -0.45 -0.19 0.00 -0.77 0.00 0.00 57.85 56.28 3i63 n ARG 42 Cb 0.46 -0.79 -0.16 0.00 -1.02 0.00 0.00 32.46 30.95 3i63 n ARG 42 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3i63 s VAL 43 N -0.12 0.55 0.21 1.55 1.01 -0.75 -4.81 120.40 118.05 3i63 s VAL 43 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 3i63 s VAL 43 Cb 0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 36.38 35.76 3i63 s VAL 43 CO 0.00 0.21 0.95 0.00 0.00 0.00 0.00 175.10 176.25 3i63 s ALA 44 N 0.58 3.32 0.92 5.51 0.00 -1.26 0.13 121.76 130.96 3i63 s ALA 44 Ca -0.08 0.61 -0.11 0.00 0.00 0.00 0.00 51.96 52.39 3i63 s ALA 44 Cb -0.11 -3.23 0.14 0.00 0.00 0.00 0.00 23.12 19.92 3i63 s ALA 44 CO 0.00 0.15 1.11 -1.25 0.00 0.00 0.00 175.76 175.77 3i63 s PRO 45 N -0.89 1.04 0.17 0.00 0.04 -1.26 -4.83 135.00 129.26 3i63 s PRO 45 Ca 0.42 1.27 -0.23 0.00 0.04 0.00 0.00 61.00 62.51 3i63 s PRO 45 Cb -0.25 -1.75 0.07 0.00 0.04 0.00 0.00 34.50 32.60 3i63 s PRO 45 CO 0.32 -2.53 0.60 -0.98 0.04 0.00 0.00 177.00 174.45 3i63 s ARG 46 N -4.71 1.31 0.73 4.56 1.70 -1.26 -5.09 118.95 116.18 3i63 s ARG 46 Ca 0.65 -0.52 -0.11 0.00 -0.47 0.00 0.00 55.73 55.28 3i63 s ARG 46 Cb -0.21 0.59 0.03 0.00 -0.57 0.00 0.00 34.95 34.78 3i63 s ARG 46 CO 0.58 -0.57 1.09 -1.21 -1.08 0.00 0.00 175.30 174.11 3i63 s GLU 47 N -3.76 2.68 0.00 3.89 0.41 -1.26 -5.00 118.70 115.65 3i63 s GLU 47 Ca 0.02 0.55 0.00 0.00 -0.41 0.00 0.00 54.97 55.13 3i63 s GLU 47 Cb -0.01 -1.99 0.00 0.00 -1.78 0.00 0.00 34.13 30.34 3i63 s GLU 47 CO -0.11 -1.18 0.00 0.41 -0.49 0.00 0.00 175.26 173.88 3i63 n GLY 48 N -2.68 2.34 3.52 -1.39 0.00 -1.26 -5.02 105.19 100.72 3i63 n GLY 48 Ca 0.07 -2.15 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 3i63 n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i63 s VAL 49 N -1.85 5.21 0.12 1.61 1.01 -1.26 -5.01 120.40 120.23 3i63 s VAL 49 Ca 0.00 -0.22 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 3i63 s VAL 49 Cb 0.00 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 3i63 s VAL 49 CO 0.00 0.01 1.33 -0.04 0.00 0.00 0.00 175.10 176.40 3i63 s MET 50 N 1.71 4.36 0.20 2.72 -1.94 -1.26 -2.47 119.30 122.63 3i63 s MET 50 Ca 0.06 2.01 0.09 0.00 -1.71 0.00 0.00 55.69 56.13 3i63 s MET 50 Cb -0.17 -3.26 -0.05 0.00 2.01 0.00 0.00 34.83 33.37 3i63 s MET 50 CO 0.10 -0.36 -0.17 1.03 -0.01 0.00 0.00 175.02 175.62 3i63 s ARG 51 N 0.82 1.37 -0.09 2.03 1.81 0.30 -4.87 118.95 120.32 3i63 s ARG 51 Ca 0.62 -1.55 0.02 0.00 -1.72 0.00 0.00 55.73 53.09 3i63 s ARG 51 Cb -0.35 -1.32 -0.02 0.00 -0.45 0.00 0.00 34.95 32.81 3i63 s ARG 51 CO 0.32 0.24 -0.15 0.08 -0.68 0.00 0.00 175.30 175.11 3i63 s VAL 52 N -2.53 2.95 0.05 3.52 1.01 -1.26 -0.99 120.40 123.14 3i63 s VAL 52 Ca 0.21 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 3i63 s VAL 52 Cb -0.03 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 3i63 s VAL 52 CO 0.08 0.55 0.07 0.00 0.00 0.00 0.00 175.10 175.80 3i63 s ARG 53 N -0.08 0.60 0.43 2.72 1.70 -0.69 -0.71 118.95 122.91 3i63 s ARG 53 Ca -0.03 -0.88 -0.25 0.00 -0.47 0.00 0.00 55.73 54.10 3i63 s ARG 53 Cb -0.14 0.23 -0.08 0.00 -0.57 0.00 0.00 34.95 34.39 3i63 s ARG 53 CO 0.04 -0.14 1.30 0.21 -1.08 0.00 0.00 175.30 175.63 3i63 s LYS 54 N -2.97 3.86 0.10 3.89 2.20 -1.26 -0.23 119.74 125.32 3i63 s LYS 54 Ca -0.02 2.14 -0.36 0.00 -0.36 0.00 0.00 55.97 57.37 3i63 s LYS 54 Cb 0.01 -2.67 -0.16 0.00 -1.51 0.00 0.00 37.83 33.50 3i63 s LYS 54 CO -0.06 -0.58 1.39 1.58 -0.36 0.00 0.00 175.35 177.32 3i63 n HIS 55 N -0.05 1.67 0.00 4.03 -0.00 -0.55 -1.75 115.22 118.57 3i63 n HIS 55 Ca 0.05 0.56 0.00 0.00 -0.00 0.00 0.00 57.72 58.33 3i63 n HIS 55 Cb 0.44 -2.38 0.00 0.00 -0.00 0.00 0.00 29.99 28.05 3i63 n HIS 55 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 3i63 n ARG 56 N 2.73 0.00 -1.19 1.57 5.12 -1.26 -4.99 116.66 118.65 3i63 n ARG 56 Ca 0.18 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.81 3i63 n ARG 56 Cb 0.21 -2.29 0.16 0.00 -1.16 0.00 0.00 32.46 29.37 3i63 n ARG 56 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3i63 s SER 57 N -2.86 3.05 -0.00 0.55 1.04 -0.72 -4.99 113.70 109.77 3i63 s SER 57 Ca 0.00 1.34 0.17 0.00 0.48 0.00 0.00 55.95 57.95 3i63 s SER 57 Cb 0.00 -2.02 -0.21 0.00 0.10 0.00 0.00 66.02 63.90 3i63 s SER 57 CO 0.00 -2.88 0.68 0.35 0.98 0.00 0.00 173.24 172.37 3i63 n THR 58 N -4.03 0.00 -4.09 2.02 -2.24 -1.26 -4.91 114.28 99.78 3i63 n THR 58 Ca 0.06 -0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.35 3i63 n THR 58 Cb 0.56 0.83 -0.10 0.00 -2.10 0.00 0.00 70.33 69.52 3i63 n THR 58 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3i63 s GLU 59 N -2.76 3.90 0.37 -0.78 -1.05 -1.26 -5.10 118.70 112.02 3i63 s GLU 59 Ca 0.04 -0.38 -0.23 0.00 -0.15 0.00 0.00 54.97 54.24 3i63 s GLU 59 Cb 0.13 -3.15 -0.10 0.00 -0.44 0.00 0.00 34.13 30.56 3i63 s GLU 59 CO 0.72 0.26 0.94 -0.51 0.95 0.00 0.00 175.26 177.63 3i63 s LEU 60 N 0.39 4.14 0.36 1.83 1.43 -1.26 -4.40 118.68 121.17 3i63 s LEU 60 Ca 0.01 1.76 -0.26 0.00 -1.03 0.00 0.00 54.13 54.61 3i63 s LEU 60 Cb -0.13 -4.27 -0.09 0.00 0.03 0.00 0.00 46.19 41.73 3i63 s LEU 60 CO 0.01 -0.21 1.13 -0.36 0.23 0.00 0.00 176.35 177.15 3i63 s PHE 61 N -1.89 3.27 0.55 0.29 0.40 0.11 -4.99 117.98 115.72 3i63 s PHE 61 Ca 0.56 1.61 -0.20 0.00 -0.60 0.00 0.00 56.93 58.30 3i63 s PHE 61 Cb -0.14 -3.32 -0.06 0.00 0.51 0.00 0.00 43.02 40.01 3i63 s PHE 61 CO 0.18 -0.96 1.02 -2.30 0.70 0.00 0.00 175.22 173.86 3i63 n PRO 62 N 0.44 1.10 -0.15 0.24 -0.02 -1.26 -4.67 135.00 130.68 3i63 n PRO 62 Ca 0.02 0.41 -0.04 0.00 -2.02 0.00 0.00 63.50 61.88 3i63 n PRO 62 Cb 0.46 -2.18 0.17 0.00 -0.02 0.00 0.00 33.50 31.92 3i63 n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i63 h ARG 63 N 0.85 0.88 0.00 -0.52 3.08 -1.97 -2.19 114.38 114.52 3i63 h ARG 63 Ca -0.48 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.37 3i63 h ARG 63 Cb 1.35 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 3i63 h ARG 63 CO 0.53 0.79 -0.06 -0.44 -1.07 0.00 0.00 179.97 179.72 3i63 h ASP 64 N 0.85 0.00 -4.07 7.04 3.32 -1.96 -2.52 116.42 119.08 3i63 h ASP 64 Ca 0.18 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.70 3i63 h ASP 64 Cb 0.31 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.98 3i63 h ASP 64 CO -0.00 0.06 0.52 -0.32 -1.72 0.00 0.00 179.24 177.78 3i63 s MET 65 N -3.46 3.11 0.37 3.56 -2.45 -0.82 -4.61 119.30 114.99 3i63 s MET 65 Ca 0.03 1.98 0.03 0.00 -1.25 0.00 0.00 55.69 56.48 3i63 s MET 65 Cb 0.08 -2.11 -0.01 0.00 1.25 0.00 0.00 34.83 34.04 3i63 s MET 65 CO 0.61 -1.13 0.55 0.95 1.05 0.00 0.00 175.02 177.04 3i63 s THR 66 N -1.47 4.39 0.40 10.11 -4.23 -1.25 -0.32 115.64 123.28 3i63 s THR 66 Ca 0.74 -0.71 0.09 0.00 -1.18 0.00 0.00 61.69 60.63 3i63 s THR 66 Cb -0.34 -3.58 0.19 0.00 1.34 0.00 0.00 72.50 70.11 3i63 s THR 66 CO 0.39 -0.32 1.96 0.16 -0.54 0.00 0.00 174.62 176.27 3i63 h ILE 67 N 0.72 1.15 0.18 2.99 3.07 -0.81 -1.77 117.51 123.04 3i63 h ILE 67 Ca -0.47 -0.58 -0.31 0.00 1.55 0.00 0.00 64.86 65.05 3i63 h ILE 67 Cb 1.24 1.02 0.03 0.00 -0.27 0.00 0.00 36.82 38.84 3i63 h ILE 67 CO 0.57 0.19 -1.34 0.00 -1.05 0.00 0.00 178.15 176.53 3i63 h ALA 68 N 1.69 -0.03 -0.56 0.16 0.00 -1.72 -2.07 119.26 116.73 3i63 h ALA 68 Ca 0.07 -0.84 0.16 0.00 0.00 0.00 0.00 54.91 54.30 3i63 h ALA 68 Cb 0.24 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3i63 h ALA 68 CO 0.01 0.78 0.43 0.93 0.00 0.00 0.00 179.25 181.39 3i63 h GLU 69 N 0.16 0.00 0.00 0.00 5.08 -1.82 -2.66 114.58 115.34 3i63 h GLU 69 Ca -0.20 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 3i63 h GLU 69 Cb 2.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.27 3i63 h GLU 69 CO 0.24 0.00 -0.31 0.66 -1.00 0.00 0.00 179.01 178.60 3i63 h SER 70 N 0.00 0.00 0.00 1.42 4.64 -0.59 -3.48 113.55 115.54 3i63 h SER 70 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3i63 h SER 70 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3i63 h SER 70 CO -0.00 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 3i63 n GLY 71 N 1.15 1.66 3.45 -0.77 0.00 -1.01 -5.01 105.19 104.66 3i63 n GLY 71 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 3i63 n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i63 n LEU 72 N 0.00 -0.46 -4.87 0.99 4.77 -1.26 -5.00 117.00 111.18 3i63 n LEU 72 Ca 0.00 1.08 -0.26 0.00 -0.03 0.00 0.00 56.01 56.80 3i63 n LEU 72 Cb 0.00 -1.05 -0.04 0.00 -2.33 0.00 0.00 43.42 39.99 3i63 n LEU 72 CO 0.00 -2.69 -0.15 0.20 -1.33 0.00 0.00 177.39 173.42 3i63 s ASN 73 N -0.88 5.90 0.60 -1.43 0.01 -1.26 -4.98 114.94 112.90 3i63 s ASN 73 Ca 0.62 -0.00 -0.20 0.00 -0.71 0.00 0.00 52.86 52.57 3i63 s ASN 73 Cb -0.79 -1.66 -0.03 0.00 0.41 0.00 0.00 41.25 39.18 3i63 s ASN 73 CO 0.58 0.05 1.32 -2.65 -1.51 0.00 0.00 177.10 174.89 3i63 n PRO 74 N -0.54 1.41 -0.83 -0.60 -0.02 -1.26 -1.60 135.00 131.55 3i63 n PRO 74 Ca -0.08 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3i63 n PRO 74 Cb 0.55 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3i63 n PRO 74 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i63 n THR 75 N -1.46 0.00 -1.36 3.45 -2.24 0.14 -4.99 114.28 107.82 3i63 n THR 75 Ca 0.13 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.58 3i63 n THR 75 Cb 0.46 -0.64 0.10 0.00 -2.10 0.00 0.00 70.33 68.15 3i63 n THR 75 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3i63 s GLU 76 N -1.27 2.08 -0.05 -0.78 2.02 -0.63 -4.49 118.70 115.59 3i63 s GLU 76 Ca 0.00 1.63 -0.20 0.00 0.02 0.00 0.00 54.97 56.42 3i63 s GLU 76 Cb 0.00 -1.84 -0.05 0.00 0.10 0.00 0.00 34.13 32.34 3i63 s GLU 76 CO 0.00 -1.85 0.56 0.08 0.02 0.00 0.00 175.26 174.07 3i63 s VAL 77 N -2.21 5.03 0.18 2.63 1.01 -1.26 -2.18 120.40 123.61 3i63 s VAL 77 Ca 0.71 1.15 0.11 0.00 0.00 0.00 0.00 61.98 63.95 3i63 s VAL 77 Cb -0.26 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3i63 s VAL 77 CO 0.47 0.37 -0.22 0.27 0.00 0.00 0.00 175.10 176.00 3i63 s ILE 78 N 0.17 2.50 -0.08 2.22 -4.36 0.36 -1.48 121.20 120.53 3i63 s ILE 78 Ca 0.30 -1.92 -0.02 0.00 -0.26 0.00 0.00 60.65 58.75 3i63 s ILE 78 Cb -0.17 -2.19 -0.03 0.00 1.25 0.00 0.00 42.46 41.31 3i63 s ILE 78 CO 0.15 -0.08 0.01 -1.81 0.24 0.00 0.00 174.94 173.44 3i63 s ASP 79 N -2.61 5.29 -0.18 4.36 1.01 0.68 -0.78 116.67 124.43 3i63 s ASP 79 Ca 0.21 0.15 -0.02 0.00 0.71 0.00 0.00 52.55 53.59 3i63 s ASP 79 Cb -0.08 -1.49 -0.01 0.00 1.01 0.00 0.00 42.92 42.35 3i63 s ASP 79 CO 0.10 0.37 -0.09 -0.69 0.21 0.00 0.00 175.17 175.08 3i63 s VAL 80 N -0.91 3.15 0.12 -1.27 1.01 -0.53 -1.71 120.40 120.26 3i63 s VAL 80 Ca 0.14 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 3i63 s VAL 80 Cb -0.11 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 3i63 s VAL 80 CO 0.03 0.47 0.16 0.68 0.00 0.00 0.00 175.10 176.44 3i63 s VAL 81 N 1.05 0.12 -0.07 2.92 -7.23 -0.16 -0.06 120.40 116.97 3i63 s VAL 81 Ca 0.00 -1.52 -0.10 0.00 -1.81 0.00 0.00 61.98 58.55 3i63 s VAL 81 Cb -0.15 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 3i63 s VAL 81 CO -0.01 -0.53 0.25 -0.36 -0.31 0.00 0.00 175.10 174.14 3i63 s PHE 82 N -3.95 3.65 0.20 2.82 0.08 -1.26 0.11 117.98 119.62 3i63 s PHE 82 Ca 0.14 0.72 -0.32 0.00 0.12 0.00 0.00 56.93 57.59 3i63 s PHE 82 Cb 0.05 -2.08 -0.15 0.00 -0.57 0.00 0.00 43.02 40.27 3i63 s PHE 82 CO -0.04 0.70 1.12 0.39 -0.10 0.00 0.00 175.22 177.29 3i63 n GLU 83 N 1.88 1.17 0.00 0.44 1.02 -1.03 -4.94 120.64 119.18 3i63 n GLU 83 Ca -0.17 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 3i63 n GLU 83 Cb 0.54 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 3i63 n GLU 83 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46