#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jts s LEU 15 N 0.00 3.38 0.26 2.23 2.01 0.04 -5.02 118.68 121.58 1jts s LEU 15 Ca 0.00 -0.18 -0.29 0.00 0.01 0.00 0.00 54.13 53.67 1jts s LEU 15 Cb 0.00 -2.08 -0.09 0.00 0.01 0.00 0.00 46.19 44.03 1jts s LEU 15 CO 0.00 0.20 1.17 -0.47 1.01 0.00 0.00 176.35 178.27 1jts s TYR 16 N -1.23 3.42 -0.22 0.29 6.14 -1.26 -4.55 117.35 119.93 1jts s TYR 16 Ca 0.23 1.55 -0.26 0.00 0.64 0.00 0.00 57.07 59.23 1jts s TYR 16 Cb -0.12 -3.41 0.07 0.00 0.42 0.00 0.00 41.96 38.93 1jts s TYR 16 CO 0.15 -1.03 0.73 -0.08 0.64 0.00 0.00 175.55 175.96 1jts s THR 17 N -0.80 0.00 -1.82 4.34 -1.32 -1.26 -4.99 115.64 109.78 1jts s THR 17 Ca 0.48 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 61.10 1jts s THR 17 Cb -0.34 -1.00 0.34 0.00 -1.51 0.00 0.00 72.50 69.99 1jts s THR 17 CO 0.42 0.00 1.27 0.54 -2.21 0.00 0.00 174.62 174.64 1jts n ARG 18 N 2.26 0.35 -1.89 7.08 1.74 -1.26 -4.63 116.66 120.31 1jts n ARG 18 Ca -0.15 0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.56 1jts n ARG 18 Cb 0.56 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 1jts n ARG 18 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1jts s ASN 19 N -2.18 5.58 0.00 0.55 3.84 -1.26 -4.86 114.94 116.61 1jts s ASN 19 Ca 0.18 1.24 0.00 0.00 0.21 0.00 0.00 52.86 54.49 1jts s ASN 19 Cb 0.09 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.27 1jts s ASN 19 CO 0.17 -1.97 1.17 -0.90 -2.79 0.00 0.00 177.10 172.78 1jts n ASP 20 N 11.47 3.20 -4.75 -4.21 5.75 -1.26 -4.86 116.55 121.88 1jts n ASP 20 Ca 0.25 -1.79 -0.39 0.00 -0.01 0.00 0.00 54.79 52.85 1jts n ASP 20 Cb 0.48 -0.65 -0.05 0.00 -1.03 0.00 0.00 41.12 39.87 1jts n ASP 20 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1jts s VAL 21 N 0.52 4.91 0.24 2.12 1.01 -1.26 -4.99 120.40 122.94 1jts s VAL 21 Ca 0.00 1.32 -0.30 0.00 0.00 0.00 0.00 61.98 63.00 1jts s VAL 21 Cb 0.00 -3.97 -0.15 0.00 0.00 0.00 0.00 36.38 32.26 1jts s VAL 21 CO 0.00 0.38 1.02 -1.54 0.00 0.00 0.00 175.10 174.97 1jts n SER 22 N 2.91 1.08 0.11 3.32 3.41 -1.26 -4.60 113.62 118.59 1jts n SER 22 Ca -0.05 1.16 0.15 0.00 -0.26 0.00 0.00 58.87 59.87 1jts n SER 22 Cb 0.51 -1.23 0.67 0.00 -0.26 0.00 0.00 64.21 63.90 1jts n SER 22 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1jts h ASP 23 N 2.43 0.00 0.76 4.04 3.32 -1.96 0.55 116.42 125.56 1jts h ASP 23 Ca -0.40 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.61 1jts h ASP 23 Cb 1.35 -0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.91 1jts h ASP 23 CO 0.64 0.00 -0.37 -1.28 -1.72 0.00 0.00 179.24 176.51 1jts h SER 24 N 0.00 -0.87 0.21 6.45 0.87 -2.00 -1.90 113.55 116.31 1jts h SER 24 Ca 0.15 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1jts h SER 24 Cb 0.59 0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.74 1jts h SER 24 CO -0.00 -0.53 -0.38 -0.08 -0.53 0.00 0.00 176.83 175.31 1jts h GLU 25 N -1.20 -0.64 -0.58 2.24 4.57 -1.53 -1.66 114.58 115.78 1jts h GLU 25 Ca -0.10 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.17 1jts h GLU 25 Cb 0.80 0.15 -0.08 0.00 -0.16 0.00 0.00 28.75 29.46 1jts h GLU 25 CO 0.17 -0.43 -0.43 0.87 -1.18 0.00 0.00 179.01 178.01 1jts h LYS 26 N -0.66 -0.11 -0.76 1.92 1.57 0.03 0.17 116.57 118.73 1jts h LYS 26 Ca 0.01 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.90 1jts h LYS 26 Cb 0.66 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.92 1jts h LYS 26 CO -0.17 -0.07 0.39 0.87 -0.57 0.00 0.00 179.45 179.90 1jts h LYS 27 N -0.11 0.62 0.31 3.15 1.57 -1.23 0.84 116.57 121.72 1jts h LYS 27 Ca 0.09 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1jts h LYS 27 Cb 0.36 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 1jts h LYS 27 CO -0.61 0.41 -0.42 0.00 -0.57 0.00 0.00 179.45 178.27 1jts h ALA 28 N 1.46 -0.87 0.11 3.86 0.00 0.02 -2.13 119.26 121.71 1jts h ALA 28 Ca 0.38 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1jts h ALA 28 Cb 0.41 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1jts h ALA 28 CO -0.28 -1.04 -0.23 1.15 0.00 0.00 0.00 179.25 178.85 1jts h THR 29 N -0.79 0.48 -1.10 0.00 2.02 -0.17 -1.67 112.91 111.69 1jts h THR 29 Ca -0.02 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.47 1jts h THR 29 Cb 0.73 0.48 -0.10 0.00 -1.74 0.00 0.00 68.15 67.53 1jts h THR 29 CO -0.13 0.00 0.71 0.58 0.37 0.00 0.00 175.52 177.05 1jts h VAL 30 N -0.42 0.43 -0.14 3.16 2.07 -0.71 0.35 116.25 120.99 1jts h VAL 30 Ca 0.03 -0.11 -0.18 0.00 0.82 0.00 0.00 66.70 67.26 1jts h VAL 30 Cb 0.45 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1jts h VAL 30 CO -0.13 0.06 -0.62 -0.33 0.02 0.00 0.00 177.57 176.57 1jts h GLU 31 N 0.32 0.66 -0.43 1.57 4.39 -0.64 -2.04 114.58 118.41 1jts h GLU 31 Ca 0.64 -0.53 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1jts h GLU 31 Cb 1.75 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 30.49 1jts h GLU 31 CO -0.32 1.15 0.26 1.25 -1.16 0.00 0.00 179.01 180.18 1jts h LEU 32 N 0.34 0.51 0.18 1.33 5.85 0.39 -2.49 115.31 121.42 1jts h LEU 32 Ca -0.04 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1jts h LEU 32 Cb 1.25 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1jts h LEU 32 CO 0.13 0.41 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.49 1jts h LEU 33 N 0.57 -0.21 -2.04 2.25 3.38 -0.91 -2.87 115.31 115.48 1jts h LEU 33 Ca 0.15 -0.18 0.13 0.00 0.09 0.00 0.00 57.88 58.07 1jts h LEU 33 Cb -0.00 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1jts h LEU 33 CO -0.03 0.07 0.37 0.78 0.09 0.00 0.00 178.44 179.72 1jts h ASN 34 N -0.49 0.00 0.61 -0.43 2.35 -1.32 0.22 115.58 116.52 1jts h ASN 34 Ca -0.02 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1jts h ASN 34 Cb 0.37 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.75 1jts h ASN 34 CO 0.04 0.00 -0.29 -0.09 -1.65 0.00 0.00 177.43 175.44 1jts h ARG 35 N 0.00 -0.79 -0.47 0.81 2.43 -1.24 -2.21 114.38 112.92 1jts h ARG 35 Ca 0.21 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.48 1jts h ARG 35 Cb 0.95 0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.63 1jts h ARG 35 CO -0.00 -0.48 0.22 1.96 -1.51 0.00 0.00 179.97 180.16 1jts h GLN 36 N -1.04 0.42 -0.39 0.20 1.08 -0.73 -2.05 115.11 112.60 1jts h GLN 36 Ca -0.08 -0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.17 1jts h GLN 36 Cb 0.68 -0.09 -0.08 0.00 -0.05 0.00 0.00 27.48 27.93 1jts h GLN 36 CO 0.14 0.28 -0.17 0.28 -0.95 0.00 0.00 178.83 178.40 1jts h VAL 37 N 0.43 0.47 -0.22 -0.54 2.07 -0.65 0.41 116.25 118.22 1jts h VAL 37 Ca 0.21 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.77 1jts h VAL 37 Cb 0.15 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1jts h VAL 37 CO -0.17 0.00 0.01 0.40 0.02 0.00 0.00 177.57 177.83 1jts h ILE 38 N -0.10 0.85 -0.61 4.57 2.04 -1.03 0.10 117.51 123.34 1jts h ILE 38 Ca 0.19 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 66.03 1jts h ILE 38 Cb 0.39 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1jts h ILE 38 CO -0.45 0.01 0.40 -0.61 0.00 0.00 0.00 178.15 177.50 1jts h GLN 39 N 0.08 0.78 -0.11 2.37 4.15 -0.56 -1.82 115.11 120.00 1jts h GLN 39 Ca 0.10 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.42 1jts h GLN 39 Cb 0.13 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.64 1jts h GLN 39 CO -0.17 0.52 -0.14 0.74 -1.93 0.00 0.00 178.83 177.85 1jts h PHE 40 N 0.81 0.36 -0.83 3.99 -1.00 0.05 -1.30 116.94 119.01 1jts h PHE 40 Ca 0.23 -0.11 0.12 0.00 2.81 0.00 0.00 57.97 61.02 1jts h PHE 40 Cb -0.07 -0.07 -0.08 0.00 3.61 0.00 0.00 35.95 39.33 1jts h PHE 40 CO -0.04 0.73 0.45 0.82 -1.61 0.00 0.00 178.31 178.66 1jts h ILE 41 N -0.12 0.80 -0.27 -0.55 2.04 -0.69 0.20 117.51 118.92 1jts h ILE 41 Ca 0.01 -0.24 -0.11 0.00 1.00 0.00 0.00 64.86 65.53 1jts h ILE 41 Cb 0.68 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1jts h ILE 41 CO 0.03 0.13 -0.25 -0.78 0.00 0.00 0.00 178.15 177.28 1jts h ASP 42 N 0.69 0.69 -0.71 1.72 3.58 -1.28 -2.04 116.42 119.07 1jts h ASP 42 Ca 0.43 -0.47 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1jts h ASP 42 Cb 0.53 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.35 1jts h ASP 42 CO -0.31 1.02 0.46 0.25 -2.88 0.00 0.00 179.24 177.77 1jts h LEU 43 N 0.38 0.84 -0.18 2.28 5.85 -0.18 0.46 115.31 124.75 1jts h LEU 43 Ca 0.05 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1jts h LEU 43 Cb 0.81 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1jts h LEU 43 CO 0.06 0.62 -0.02 0.77 -0.34 0.00 0.00 178.44 179.54 1jts h SER 44 N 0.98 0.33 -0.70 1.25 4.64 -0.55 -0.51 113.55 118.99 1jts h SER 44 Ca 0.26 -0.34 0.08 0.00 -0.47 0.00 0.00 61.79 61.33 1jts h SER 44 Cb -0.08 -0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 61.85 1jts h SER 44 CO -0.05 0.59 0.36 -0.07 -0.87 0.00 0.00 176.83 176.79 1jts h LEU 45 N 0.07 0.50 -0.52 5.97 3.38 -0.73 -1.59 115.31 122.38 1jts h LEU 45 Ca 0.05 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1jts h LEU 45 Cb 0.43 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1jts h LEU 45 CO 0.01 0.30 0.28 0.40 0.09 0.00 0.00 178.44 179.53 1jts h ILE 46 N 0.64 1.18 -0.95 1.22 2.04 -0.72 -2.09 117.51 118.84 1jts h ILE 46 Ca 0.33 -0.47 0.08 0.00 1.00 0.00 0.00 64.86 65.81 1jts h ILE 46 Cb 0.30 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 1jts h ILE 46 CO -0.24 0.19 0.61 0.74 0.00 0.00 0.00 178.15 179.46 1jts h THR 47 N 0.70 1.02 -0.33 -0.27 2.02 -0.13 -0.41 112.91 115.51 1jts h THR 47 Ca 0.18 -0.35 -0.16 0.00 0.77 0.00 0.00 66.41 66.85 1jts h THR 47 Cb 0.06 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.36 1jts h THR 47 CO -0.03 0.19 -0.44 0.11 0.37 0.00 0.00 175.52 175.72 1jts h LYS 48 N 1.03 0.85 0.34 6.66 1.79 -1.04 -0.02 116.57 126.17 1jts h LYS 48 Ca 0.43 -0.47 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1jts h LYS 48 Cb 0.30 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 1jts h LYS 48 CO -0.18 1.11 -0.36 0.37 -1.08 0.00 0.00 179.45 179.31 1jts h GLN 49 N 0.68 -0.70 0.17 3.15 5.75 -0.57 1.00 115.11 124.59 1jts h GLN 49 Ca 0.04 0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1jts h GLN 49 Cb 1.02 0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.72 1jts h GLN 49 CO 0.10 -0.47 -0.13 0.00 -2.65 0.00 0.00 178.83 175.68 1jts h ALA 50 N -0.26 -0.29 -0.75 3.38 0.00 -1.09 -2.65 119.26 117.61 1jts h ALA 50 Ca -0.02 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.00 1jts h ALA 50 Cb 0.66 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.48 1jts h ALA 50 CO -0.08 -0.67 -0.16 1.25 0.00 0.00 0.00 179.25 179.59 1jts h HIS 51 N -0.31 -0.34 -0.33 0.00 -0.00 -0.72 -2.51 115.15 110.93 1jts h HIS 51 Ca -0.01 0.07 -0.06 0.00 -0.00 0.00 0.00 60.37 60.37 1jts h HIS 51 Cb 0.27 0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.94 1jts h HIS 51 CO -0.10 -0.31 -0.01 -1.49 -0.00 0.00 0.00 177.93 176.01 1jts h TRP 52 N 0.01 0.65 -0.72 5.26 6.55 -0.60 -3.33 115.95 123.78 1jts h TRP 52 Ca 0.37 -0.12 -0.21 0.00 0.95 0.00 0.00 58.89 59.88 1jts h TRP 52 Cb 0.58 -0.17 -0.12 0.00 -0.86 0.00 0.00 29.16 28.59 1jts h TRP 52 CO -0.57 0.72 0.26 0.09 -1.05 0.00 0.00 178.44 177.89 1jts n ASN 53 N -4.51 4.78 -4.94 -3.49 3.02 -0.97 -4.97 115.26 104.17 1jts n ASN 53 Ca -0.02 -3.16 -0.25 0.00 -0.03 0.00 0.00 54.58 51.12 1jts n ASN 53 Cb 0.28 -0.74 -0.02 0.00 -0.61 0.00 0.00 39.78 38.68 1jts n ASN 53 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jts s MET 54 N -2.87 3.48 0.03 3.52 0.23 -1.04 -4.48 119.30 118.16 1jts s MET 54 Ca 0.53 -0.49 -0.20 0.00 -1.03 0.00 0.00 55.69 54.50 1jts s MET 54 Cb 0.42 -2.84 0.04 0.00 -1.53 0.00 0.00 34.83 30.92 1jts s MET 54 CO 0.13 0.39 0.46 1.03 -2.03 0.00 0.00 175.02 174.99 1jts s ARG 55 N -3.64 0.94 0.00 3.16 0.52 0.02 -4.96 118.95 114.99 1jts s ARG 55 Ca 0.37 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.32 1jts s ARG 55 Cb -0.10 0.42 0.00 0.00 0.52 0.00 0.00 34.95 35.79 1jts s ARG 55 CO 0.30 -0.32 0.00 0.41 0.02 0.00 0.00 175.30 175.71 1jts n GLY 56 N 0.59 0.59 3.77 -3.53 0.00 -1.26 -1.70 105.19 103.65 1jts n GLY 56 Ca -0.19 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.22 1jts n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jts s ALA 57 N -1.77 3.50 -1.47 4.61 0.00 -1.26 -2.81 121.76 122.56 1jts s ALA 57 Ca 0.00 1.28 -0.07 0.00 0.00 0.00 0.00 51.96 53.17 1jts s ALA 57 Cb 0.00 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.66 1jts s ALA 57 CO 0.00 -0.66 0.68 -1.71 0.00 0.00 0.00 175.76 174.07 1jts n ASN 58 N 0.80 -5.55 0.29 0.00 5.15 -1.26 -4.80 115.26 109.89 1jts n ASN 58 Ca 0.00 -0.38 -0.12 0.00 -0.60 0.00 0.00 54.58 53.49 1jts n ASN 58 Cb 0.42 -4.48 -0.06 0.00 -0.53 0.00 0.00 39.78 35.13 1jts n ASN 58 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1jts h PHE 59 N -1.52 -0.71 -0.44 1.20 3.04 -1.89 -3.04 116.94 113.59 1jts h PHE 59 Ca -0.52 -0.02 0.09 0.00 3.98 0.00 0.00 57.97 61.50 1jts h PHE 59 Cb 1.35 0.23 -0.09 0.00 2.56 0.00 0.00 35.95 40.00 1jts h PHE 59 CO 0.56 -0.44 -0.23 0.97 -2.02 0.00 0.00 178.31 177.15 1jts h ILE 60 N -0.97 0.36 -0.09 1.41 6.09 -1.92 0.36 117.51 122.75 1jts h ILE 60 Ca -0.08 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.43 1jts h ILE 60 Cb 0.59 0.36 -0.02 0.00 0.47 0.00 0.00 36.82 38.21 1jts h ILE 60 CO 0.13 0.00 -0.04 0.00 -3.07 0.00 0.00 178.15 175.17 1jts h ALA 61 N 1.12 0.05 -0.63 0.18 0.00 -1.99 -0.19 119.26 117.79 1jts h ALA 61 Ca 0.21 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1jts h ALA 61 Cb 0.46 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1jts h ALA 61 CO -0.52 -0.50 0.13 0.28 0.00 0.00 0.00 179.25 178.63 1jts h VAL 62 N -0.02 1.25 0.13 0.00 2.07 -1.32 0.22 116.25 118.58 1jts h VAL 62 Ca 0.05 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.63 1jts h VAL 62 Cb 0.10 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1jts h VAL 62 CO -0.11 0.36 -0.18 -0.74 0.02 0.00 0.00 177.57 176.92 1jts h HIS 63 N 0.96 -0.47 -0.42 1.57 6.17 0.18 -0.18 115.15 122.96 1jts h HIS 63 Ca 0.20 0.01 -0.15 0.00 0.71 0.00 0.00 60.37 61.13 1jts h HIS 63 Cb 0.38 0.19 -0.01 0.00 2.52 0.00 0.00 27.41 30.49 1jts h HIS 63 CO 0.03 -0.27 -0.34 0.93 0.71 0.00 0.00 177.93 178.99 1jts h GLU 64 N -0.36 0.96 -0.28 5.26 5.08 -0.91 -3.12 114.58 121.20 1jts h GLU 64 Ca 0.02 -0.48 0.06 0.00 -1.00 0.00 0.00 59.36 57.95 1jts h GLU 64 Cb 0.37 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 1jts h GLU 64 CO -0.08 1.14 -0.09 1.98 -1.00 0.00 0.00 179.01 180.97 1jts h MET 65 N 0.80 -0.02 -0.91 2.33 4.05 -0.23 -1.57 114.93 119.37 1jts h MET 65 Ca 0.08 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.64 1jts h MET 65 Cb 0.93 0.01 -0.09 0.00 -0.80 0.00 0.00 31.60 31.64 1jts h MET 65 CO 0.09 -0.02 0.52 -0.07 0.23 0.00 0.00 176.91 177.66 1jts h LEU 66 N -0.02 0.68 -1.10 3.39 4.07 -1.01 -0.40 115.31 120.92 1jts h LEU 66 Ca 0.14 0.08 0.03 0.00 0.08 0.00 0.00 57.88 58.20 1jts h LEU 66 Cb 0.24 -0.04 -0.05 0.00 1.08 0.00 0.00 40.66 41.88 1jts h LEU 66 CO -0.30 0.31 0.61 -0.78 -1.08 0.00 0.00 178.44 177.19 1jts h ASP 67 N 0.75 1.02 -0.20 -0.43 1.82 -1.24 -1.86 116.42 116.28 1jts h ASP 67 Ca 0.48 -0.02 0.02 0.00 -0.39 0.00 0.00 57.03 57.13 1jts h ASP 67 Cb 0.63 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.37 1jts h ASP 67 CO -0.33 0.71 0.05 1.23 -1.61 0.00 0.00 179.24 179.30 1jts h GLY 68 N 1.19 0.24 0.59 -0.78 0.00 -0.74 -2.33 103.07 101.25 1jts h GLY 68 Ca 0.36 -0.03 0.07 0.00 0.00 0.00 0.00 47.33 47.73 1jts h GLY 68 CO -0.10 0.01 0.31 0.74 0.00 0.00 0.00 176.54 177.51 1jts h PHE 69 N 0.14 0.57 -0.45 5.60 0.04 -1.10 -2.40 116.94 119.33 1jts h PHE 69 Ca 0.09 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.97 1jts h PHE 69 Cb 0.07 -0.16 -0.07 0.00 2.20 0.00 0.00 35.95 37.99 1jts h PHE 69 CO -0.13 0.24 0.00 -0.09 -0.60 0.00 0.00 178.31 177.73 1jts h ARG 70 N 0.57 0.11 -0.73 1.51 2.43 -0.82 0.28 114.38 117.73 1jts h ARG 70 Ca 0.29 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.47 1jts h ARG 70 Cb 0.25 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 1jts h ARG 70 CO -0.22 0.07 0.48 1.15 -1.51 0.00 0.00 179.97 179.95 1jts h THR 71 N 0.12 1.18 -0.26 0.20 2.02 -1.10 -0.87 112.91 114.19 1jts h THR 71 Ca 0.22 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 1jts h THR 71 Cb 0.33 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1jts h THR 71 CO -0.37 0.18 0.01 0.00 0.37 0.00 0.00 175.52 175.71 1jts h ALA 72 N 1.27 0.35 -0.06 6.16 0.00 -0.87 -2.52 119.26 123.60 1jts h ALA 72 Ca 0.27 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1jts h ALA 72 Cb -0.10 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 1jts h ALA 72 CO -0.06 0.07 -0.31 -0.07 0.00 0.00 0.00 179.25 178.88 1jts h LEU 73 N 0.24 -0.93 -1.00 0.00 4.07 -0.06 -1.35 115.31 116.29 1jts h LEU 73 Ca 0.08 0.13 0.15 0.00 0.08 0.00 0.00 57.88 58.31 1jts h LEU 73 Cb 0.39 0.39 -0.09 0.00 1.08 0.00 0.00 40.66 42.42 1jts h LEU 73 CO 0.01 -0.36 0.62 0.40 -1.08 0.00 0.00 178.44 178.03 1jts h ILE 74 N -0.42 0.83 0.44 1.22 2.04 -1.14 0.12 117.51 120.60 1jts h ILE 74 Ca 0.08 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1jts h ILE 74 Cb 0.54 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1jts h ILE 74 CO -0.30 0.16 -0.21 0.00 0.00 0.00 0.00 178.15 177.80 1jts h HIS 76 N -0.68 0.12 -0.28 0.00 3.86 -0.73 -1.16 115.15 116.28 1jts h HIS 76 Ca -0.06 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.22 1jts h HIS 76 Cb 0.50 -0.03 -0.08 0.00 1.06 0.00 0.00 27.41 28.86 1jts h HIS 76 CO -0.02 0.06 -0.35 1.25 0.86 0.00 0.00 177.93 179.73 1jts h LEU 77 N 0.16 -1.14 -1.11 2.43 6.46 -0.73 -0.23 115.31 121.15 1jts h LEU 77 Ca 0.08 0.18 0.02 0.00 -0.12 0.00 0.00 57.88 58.04 1jts h LEU 77 Cb 0.05 0.50 -0.05 0.00 -0.73 0.00 0.00 40.66 40.43 1jts h LEU 77 CO -0.09 -0.35 0.60 0.00 -0.62 0.00 0.00 178.44 177.98 1jts h ALA 78 N 0.52 1.39 -0.60 1.25 0.00 -0.67 -0.95 119.26 120.19 1jts h ALA 78 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1jts h ALA 78 Cb 0.56 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1jts h ALA 78 CO -0.47 0.55 0.19 1.15 0.00 0.00 0.00 179.25 180.68 1jts h THR 79 N 1.19 1.23 -0.19 0.00 2.02 -0.27 -0.08 112.91 116.80 1jts h THR 79 Ca 0.35 -0.77 -0.13 0.00 0.77 0.00 0.00 66.41 66.63 1jts h THR 79 Cb -0.07 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1jts h THR 79 CO -0.09 0.30 -0.37 0.24 0.37 0.00 0.00 175.52 175.97 1jts h MET 80 N 0.87 0.60 -0.45 6.66 2.86 -0.37 -1.80 114.93 123.31 1jts h MET 80 Ca 0.20 -0.38 0.05 0.00 -2.06 0.00 0.00 59.70 57.51 1jts h MET 80 Cb 0.24 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.90 1jts h MET 80 CO -0.01 0.99 0.18 0.00 1.06 0.00 0.00 176.91 179.14 1jts h ALA 81 N 0.60 0.55 -0.76 6.32 0.00 -0.85 -1.44 119.26 123.68 1jts h ALA 81 Ca 0.01 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1jts h ALA 81 Cb 0.97 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1jts h ALA 81 CO 0.08 -0.19 0.31 0.93 0.00 0.00 0.00 179.25 180.38 1jts h GLU 82 N 0.37 1.12 -0.57 0.00 5.08 -0.97 -2.21 114.58 117.40 1jts h GLU 82 Ca 0.20 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1jts h GLU 82 Cb 0.17 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1jts h GLU 82 CO -0.18 0.90 0.33 -0.09 -1.00 0.00 0.00 179.01 178.97 1jts h ARG 83 N 1.10 0.79 -0.02 2.33 9.65 -0.48 -0.65 114.38 127.10 1jts h ARG 83 Ca 0.26 -0.09 0.01 0.00 -1.10 0.00 0.00 59.98 59.07 1jts h ARG 83 Cb 0.19 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 1jts h ARG 83 CO -0.02 0.59 -0.06 0.00 2.80 0.00 0.00 179.97 183.28 1jts h ALA 84 N 1.15 -0.05 -0.16 2.80 0.00 -0.99 -2.39 119.26 119.63 1jts h ALA 84 Ca 0.20 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1jts h ALA 84 Cb 0.02 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1jts h ALA 84 CO -0.03 -0.55 -0.04 0.28 0.00 0.00 0.00 179.25 178.90 1jts h VAL 85 N -0.10 1.13 0.00 0.00 2.07 -1.13 -1.47 116.25 116.76 1jts h VAL 85 Ca 0.03 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 66.93 1jts h VAL 85 Cb 0.14 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1jts h VAL 85 CO -0.08 0.18 -0.38 1.56 0.02 0.00 0.00 177.57 178.87 1jts h GLN 86 N 0.23 0.00 -0.10 1.57 4.20 -0.72 -2.11 115.11 118.18 1jts h GLN 86 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1jts h GLN 86 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1jts h GLN 86 CO 0.01 0.38 0.00 1.28 -0.67 0.00 0.00 178.83 179.83 1jts n LEU 87 N -3.94 1.03 0.00 1.46 4.77 -0.64 -4.89 117.00 114.79 1jts n LEU 87 Ca -0.02 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 1jts n LEU 87 Cb 0.43 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1jts n LEU 87 CO 0.38 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1jts n GLY 88 N 1.00 0.62 0.00 -0.72 0.00 -0.79 -4.80 105.19 100.49 1jts n GLY 88 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1jts n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jts n GLY 89 N -2.02 0.15 2.98 -0.02 0.00 -0.67 -0.78 105.19 104.83 1jts n GLY 89 Ca 0.00 -1.84 -0.28 0.00 0.00 0.00 0.00 46.02 43.91 1jts n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jts s VAL 90 N 0.08 1.28 0.06 1.61 1.01 -1.26 -4.37 120.40 118.81 1jts s VAL 90 Ca 0.00 -0.47 -0.31 0.00 0.00 0.00 0.00 61.98 61.20 1jts s VAL 90 Cb 0.00 -1.23 -0.06 0.00 0.00 0.00 0.00 36.38 35.09 1jts s VAL 90 CO 0.00 0.41 1.26 0.00 0.00 0.00 0.00 175.10 176.76 1jts s ALA 91 N 1.41 3.46 -0.30 5.51 0.00 -1.26 -4.95 121.76 125.63 1jts s ALA 91 Ca 0.01 0.90 -0.06 0.00 0.00 0.00 0.00 51.96 52.81 1jts s ALA 91 Cb -0.13 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.52 1jts s ALA 91 CO -0.07 -0.53 0.07 -0.51 0.00 0.00 0.00 175.76 174.72 1jts s LEU 92 N 1.26 3.87 0.00 0.00 1.43 -1.26 -4.93 118.68 119.04 1jts s LEU 92 Ca 0.60 -0.83 0.17 0.00 -1.03 0.00 0.00 54.13 53.05 1jts s LEU 92 Cb -0.31 -1.85 0.28 0.00 0.03 0.00 0.00 46.19 44.34 1jts s LEU 92 CO 0.29 -0.21 1.11 0.61 0.23 0.00 0.00 176.35 178.37 1jts n GLY 93 N 4.83 0.83 3.88 -3.19 0.00 -1.26 -4.48 105.19 105.80 1jts n GLY 93 Ca -0.14 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 1jts n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jts s THR 94 N 0.00 4.81 0.19 2.61 -4.23 -1.26 -4.92 115.64 112.85 1jts s THR 94 Ca 0.22 0.53 -0.14 0.00 -1.18 0.00 0.00 61.69 61.13 1jts s THR 94 Cb 0.26 -3.77 0.16 0.00 1.34 0.00 0.00 72.50 70.48 1jts s THR 94 CO -0.11 -0.62 1.66 0.74 -0.54 0.00 0.00 174.62 175.75 1jts h THR 95 N 0.83 0.54 -0.32 3.99 2.02 -1.99 -1.07 112.91 116.91 1jts h THR 95 Ca -0.47 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 66.74 1jts h THR 95 Cb 1.19 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.02 1jts h THR 95 CO 0.63 0.01 0.05 0.06 0.37 0.00 0.00 175.52 176.64 1jts h GLN 96 N 0.07 0.15 -0.79 6.66 -0.00 -1.98 0.47 115.11 119.69 1jts h GLN 96 Ca 0.26 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.90 1jts h GLN 96 Cb 0.41 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.48 27.82 1jts h GLN 96 CO -0.48 0.10 0.49 0.28 -0.00 0.00 0.00 178.83 179.22 1jts h VAL 97 N 0.15 1.22 0.71 1.86 2.07 -1.74 -2.36 116.25 118.15 1jts h VAL 97 Ca 0.15 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1jts h VAL 97 Cb 0.17 0.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1jts h VAL 97 CO -0.21 0.22 -0.34 0.40 0.02 0.00 0.00 177.57 177.66 1jts h ILE 98 N 1.07 0.08 -1.05 4.57 1.08 -0.58 -1.45 117.51 121.24 1jts h ILE 98 Ca 0.28 -0.27 0.33 0.00 -0.39 0.00 0.00 64.86 64.81 1jts h ILE 98 Cb -0.07 0.11 -0.14 0.00 -3.07 0.00 0.00 36.82 33.65 1jts h ILE 98 CO -0.06 0.01 0.62 -1.13 -0.69 0.00 0.00 178.15 176.90 1jts h ASN 99 N -1.21 0.48 0.00 1.72 -0.73 0.01 0.53 115.58 116.38 1jts h ASN 99 Ca -0.10 0.17 -0.08 0.00 1.87 0.00 0.00 56.30 58.17 1jts h ASN 99 Cb 0.75 0.12 -0.01 0.00 0.27 0.00 0.00 38.32 39.45 1jts h ASN 99 CO 0.16 -0.11 -0.62 0.77 -0.37 0.00 0.00 177.43 177.26 1jts h SER 100 N 0.31 0.00 -0.10 1.15 4.64 -1.47 -3.39 113.55 114.69 1jts h SER 100 Ca 0.73 -0.29 -0.02 0.00 -0.47 0.00 0.00 61.79 61.74 1jts h SER 100 Cb 1.76 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.84 1jts h SER 100 CO -0.55 0.99 0.02 0.29 -0.87 0.00 0.00 176.83 176.71 1jts n LYS 101 N -4.58 1.50 -3.19 4.77 5.02 -0.55 -4.89 118.16 116.23 1jts n LYS 101 Ca -0.15 -0.47 -0.39 0.00 -2.02 0.00 0.00 58.31 55.29 1jts n LYS 101 Cb 0.39 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 33.82 1jts n LYS 101 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1jts s THR 102 N -1.09 5.11 -2.01 -0.18 -1.32 0.15 -4.85 115.64 111.45 1jts s THR 102 Ca 0.08 1.15 0.06 0.00 -1.21 0.00 0.00 61.69 61.77 1jts s THR 102 Cb 0.06 -3.91 0.16 0.00 -1.51 0.00 0.00 72.50 67.31 1jts s THR 102 CO 0.02 0.25 1.16 -0.81 -2.21 0.00 0.00 174.62 173.04 1jts n PRO 103 N 4.03 1.33 -4.06 7.08 -0.04 -1.26 -4.82 135.00 137.26 1jts n PRO 103 Ca -0.04 -0.51 -0.35 0.00 -0.04 0.00 0.00 63.50 62.57 1jts n PRO 103 Cb 0.51 -1.13 -0.11 0.00 -0.04 0.00 0.00 33.50 32.73 1jts n PRO 103 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jts s LEU 104 N -1.06 3.62 0.66 1.53 1.43 -1.26 -5.07 118.68 118.52 1jts s LEU 104 Ca 0.12 -0.02 -0.17 0.00 -1.03 0.00 0.00 54.13 53.02 1jts s LEU 104 Cb 0.06 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1jts s LEU 104 CO 0.08 0.14 1.02 1.17 0.23 0.00 0.00 176.35 178.99 1jts n LYS 105 N 3.78 0.77 -1.80 1.70 4.81 -1.26 -4.87 118.16 121.28 1jts n LYS 105 Ca -0.17 0.31 -0.41 0.00 -0.87 0.00 0.00 58.31 57.18 1jts n LYS 105 Cb 0.52 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.32 1jts n LYS 105 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1jts s SER 106 N -1.44 6.30 0.10 3.14 0.15 -1.26 -4.95 113.70 115.75 1jts s SER 106 Ca 0.76 3.04 -0.28 0.00 0.70 0.00 0.00 55.95 60.18 1jts s SER 106 Cb -0.38 -2.67 -0.06 0.00 -1.71 0.00 0.00 66.02 61.20 1jts s SER 106 CO 0.47 -0.90 0.89 -0.47 1.20 0.00 0.00 173.24 174.43 1jts s TYR 107 N -1.13 3.81 -0.33 3.44 6.14 -1.26 -4.97 117.35 123.04 1jts s TYR 107 Ca 0.53 1.70 -0.31 0.00 0.64 0.00 0.00 57.07 59.63 1jts s TYR 107 Cb -0.46 -2.96 -0.09 0.00 0.42 0.00 0.00 41.96 38.87 1jts s TYR 107 CO 0.63 0.27 2.25 -2.30 0.64 0.00 0.00 175.55 177.03 1jts n PRO 108 N 2.61 1.39 -0.38 4.97 -0.02 -1.26 -4.86 135.00 137.45 1jts n PRO 108 Ca 0.00 0.34 0.03 0.00 -2.02 0.00 0.00 63.50 61.86 1jts n PRO 108 Cb 0.49 -2.86 0.18 0.00 -0.02 0.00 0.00 33.50 31.29 1jts n PRO 108 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jts n LEU 109 N 11.33 2.98 0.00 2.45 4.32 -1.26 -4.01 117.00 132.81 1jts n LEU 109 Ca 0.37 -1.51 0.00 0.00 -0.02 0.00 0.00 56.01 54.85 1jts n LEU 109 Cb 0.35 -0.55 0.00 0.00 -1.62 0.00 0.00 43.42 41.59 1jts n LEU 109 CO 0.72 0.42 0.09 -0.90 -1.22 0.00 0.00 177.39 176.50 1jts n ASP 110 N 0.29 0.36 -4.92 -1.43 5.68 -1.26 -5.08 116.55 110.19 1jts n ASP 110 Ca 0.12 -0.68 -0.26 0.00 -0.50 0.00 0.00 54.79 53.47 1jts n ASP 110 Cb 0.64 0.34 -0.01 0.00 -1.14 0.00 0.00 41.12 40.95 1jts n ASP 110 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1jts s ILE 111 N -0.34 5.01 0.00 2.12 -4.36 -1.26 -5.03 121.20 117.34 1jts s ILE 111 Ca 0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 60.65 60.27 1jts s ILE 111 Cb 0.00 -3.86 0.00 0.00 1.25 0.00 0.00 42.46 39.85 1jts s ILE 111 CO 0.00 -0.70 0.00 1.41 0.24 0.00 0.00 174.94 175.89 1jts n HIS 112 N -2.00 0.00 -1.82 1.37 8.25 -1.26 -4.86 115.22 114.90 1jts n HIS 112 Ca -0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.04 1jts n HIS 112 Cb 0.56 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.68 1jts n HIS 112 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1jts s ASN 113 N -1.24 5.97 0.08 0.41 3.84 -1.26 -0.80 114.94 121.94 1jts s ASN 113 Ca 0.00 2.92 -0.33 0.00 0.21 0.00 0.00 52.86 55.66 1jts s ASN 113 Cb 0.00 -2.66 -0.17 0.00 -0.55 0.00 0.00 41.25 37.88 1jts s ASN 113 CO 0.00 -1.11 1.61 0.58 -2.79 0.00 0.00 177.10 175.38 1jts h VAL 114 N 2.41 0.23 -0.89 -5.21 2.07 -1.64 -1.90 116.25 111.32 1jts h VAL 114 Ca -0.51 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.22 1jts h VAL 114 Cb 1.26 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 1jts h VAL 114 CO 0.62 0.00 0.60 1.56 0.02 0.00 0.00 177.57 180.36 1jts h GLN 115 N -0.92 0.31 0.78 1.57 1.08 -1.88 0.04 115.11 116.09 1jts h GLN 115 Ca -0.07 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 1jts h GLN 115 Cb 0.76 -0.07 0.01 0.00 -0.05 0.00 0.00 27.48 28.12 1jts h GLN 115 CO 0.06 0.21 -0.37 -0.44 -0.95 0.00 0.00 178.83 177.33 1jts h ASP 116 N 0.32 -0.89 -0.22 1.46 3.45 -1.74 -1.91 116.42 116.90 1jts h ASP 116 Ca 0.46 0.03 0.02 0.00 0.43 0.00 0.00 57.03 57.97 1jts h ASP 116 Cb 1.26 0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 40.24 1jts h ASP 116 CO -0.14 -0.63 0.08 0.45 -1.57 0.00 0.00 179.24 177.42 1jts h HIS 117 N -1.05 0.14 -0.77 4.55 3.86 -0.61 -1.76 115.15 119.51 1jts h HIS 117 Ca -0.11 0.01 0.18 0.00 -1.16 0.00 0.00 60.37 59.29 1jts h HIS 117 Cb 0.80 -0.03 -0.13 0.00 1.06 0.00 0.00 27.41 29.11 1jts h HIS 117 CO -0.02 0.07 -0.01 -0.07 0.86 0.00 0.00 177.93 178.76 1jts h LEU 118 N 0.18 -0.38 -0.48 2.43 4.07 -0.92 0.89 115.31 121.10 1jts h LEU 118 Ca 0.09 0.20 -0.03 0.00 0.08 0.00 0.00 57.88 58.22 1jts h LEU 118 Cb 0.06 0.36 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 1jts h LEU 118 CO -0.10 -0.19 0.18 0.11 -1.08 0.00 0.00 178.44 177.36 1jts h LYS 119 N 0.09 0.73 -0.24 1.13 1.57 -0.67 0.53 116.57 119.71 1jts h LYS 119 Ca 0.42 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1jts h LYS 119 Cb 0.74 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1jts h LYS 119 CO -0.69 0.67 0.07 0.93 -0.57 0.00 0.00 179.45 179.87 1jts h GLU 120 N 0.64 0.37 -0.13 3.15 4.39 0.13 -2.40 114.58 120.72 1jts h GLU 120 Ca 0.16 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1jts h GLU 120 Cb 0.22 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1jts h GLU 120 CO -0.01 0.45 0.08 -0.07 -1.16 0.00 0.00 179.01 178.30 1jts h LEU 121 N 0.21 0.16 -0.80 1.33 3.38 0.90 -2.61 115.31 117.87 1jts h LEU 121 Ca 0.08 -0.05 0.19 0.00 0.09 0.00 0.00 57.88 58.19 1jts h LEU 121 Cb 0.23 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 40.82 1jts h LEU 121 CO -0.00 0.16 0.19 0.00 0.09 0.00 0.00 178.44 178.87 1jts h ALA 122 N 1.01 1.08 0.60 1.53 0.00 0.20 0.20 119.26 123.87 1jts h ALA 122 Ca 0.05 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1jts h ALA 122 Cb 0.03 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1jts h ALA 122 CO -0.01 -0.39 -0.29 -0.44 0.00 0.00 0.00 179.25 178.12 1jts h ASP 123 N 0.24 -0.68 -0.69 0.00 3.45 -1.12 0.23 116.42 117.85 1jts h ASP 123 Ca 0.47 -0.02 0.05 0.00 0.43 0.00 0.00 57.03 57.96 1jts h ASP 123 Cb 0.87 0.18 -0.05 0.00 -0.56 0.00 0.00 39.33 39.77 1jts h ASP 123 CO -0.59 -0.39 0.40 0.03 -1.57 0.00 0.00 179.24 177.13 1jts h ARG 124 N -0.97 0.73 -0.67 3.56 2.47 -1.05 -0.12 114.38 118.33 1jts h ARG 124 Ca -0.08 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.57 1jts h ARG 124 Cb 0.67 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.79 1jts h ARG 124 CO 0.14 0.48 0.32 1.88 0.56 0.00 0.00 179.97 183.34 1jts h TYR 125 N 0.75 0.98 -0.56 3.04 -1.99 -0.62 -2.06 116.97 116.52 1jts h TYR 125 Ca 0.30 -0.05 0.04 0.00 2.00 0.00 0.00 58.73 61.01 1jts h TYR 125 Cb 0.13 -0.30 -0.04 0.00 2.00 0.00 0.00 36.73 38.52 1jts h TYR 125 CO -0.06 0.74 0.32 0.00 -0.00 0.00 0.00 178.16 179.15 1jts h ALA 126 N 1.15 0.72 -0.01 3.88 0.00 0.20 0.65 119.26 125.85 1jts h ALA 126 Ca 0.23 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1jts h ALA 126 Cb 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1jts h ALA 126 CO -0.03 0.01 -0.16 0.82 0.00 0.00 0.00 179.25 179.89 1jts h ILE 127 N 0.62 0.60 -0.35 0.00 5.03 -0.52 0.48 117.51 123.37 1jts h ILE 127 Ca 0.23 0.00 -0.05 0.00 -0.12 0.00 0.00 64.86 64.93 1jts h ILE 127 Cb 0.08 0.60 -0.01 0.00 -3.03 0.00 0.00 36.82 34.45 1jts h ILE 127 CO -0.13 0.00 0.03 0.58 -0.68 0.00 0.00 178.15 177.95 1jts h VAL 128 N -0.26 1.25 -0.03 1.67 2.07 -0.96 -1.50 116.25 118.48 1jts h VAL 128 Ca 0.06 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.68 1jts h VAL 128 Cb 0.34 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1jts h VAL 128 CO -0.17 0.30 -0.03 0.00 0.02 0.00 0.00 177.57 177.70 1jts h ALA 129 N 0.88 0.00 -0.55 1.67 0.00 0.51 -0.23 119.26 121.54 1jts h ALA 129 Ca 0.10 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1jts h ALA 129 Cb 0.41 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1jts h ALA 129 CO 0.01 -0.51 0.01 -0.91 0.00 0.00 0.00 179.25 177.85 1jts h ASN 130 N -0.03 0.91 0.37 0.00 2.35 -0.91 -1.88 115.58 116.38 1jts h ASN 130 Ca 0.02 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 1jts h ASN 130 Cb 0.06 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.19 1jts h ASN 130 CO -0.05 0.96 -0.18 -0.78 -1.65 0.00 0.00 177.43 175.73 1jts h ASP 131 N 0.87 -0.42 -0.17 5.81 -0.00 -1.06 -2.81 116.42 118.64 1jts h ASP 131 Ca 0.16 -0.14 0.01 0.00 -0.00 0.00 0.00 57.03 57.06 1jts h ASP 131 Cb 0.49 0.11 -0.01 0.00 -0.00 0.00 0.00 39.33 39.92 1jts h ASP 131 CO 0.02 -0.04 0.11 1.62 -0.00 0.00 0.00 179.24 180.96 1jts h VAL 132 N -0.86 1.02 -0.51 2.25 3.04 -1.08 -0.08 116.25 120.02 1jts h VAL 132 Ca -0.05 -0.06 -0.06 0.00 -1.01 0.00 0.00 66.70 65.52 1jts h VAL 132 Cb 0.54 0.82 -0.02 0.00 -2.01 0.00 0.00 31.29 30.61 1jts h VAL 132 CO 0.08 0.03 0.09 -0.09 -1.01 0.00 0.00 177.57 176.68 1jts h ARG 133 N 0.18 0.80 -0.10 4.17 2.43 -1.29 -2.72 114.38 117.85 1jts h ARG 133 Ca 0.07 -0.18 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 1jts h ARG 133 Cb 0.05 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1jts h ARG 133 CO -0.01 0.75 -0.24 0.87 -1.51 0.00 0.00 179.97 179.82 1jts h LYS 134 N 0.77 0.34 -1.23 0.20 1.57 -0.85 -3.13 116.57 114.24 1jts h LYS 134 Ca 0.16 -0.23 0.35 0.00 -1.87 0.00 0.00 60.65 59.07 1jts h LYS 134 Cb 0.33 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 1jts h LYS 134 CO 0.00 0.84 0.88 0.00 -0.57 0.00 0.00 179.45 180.60 1jts h ALA 135 N 0.50 3.10 -0.70 3.86 0.00 -0.79 0.21 119.26 125.44 1jts h ALA 135 Ca -0.00 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1jts h ALA 135 Cb 0.84 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1jts h ALA 135 CO 0.05 -1.46 0.36 0.82 0.00 0.00 0.00 179.25 179.02 1jts h ILE 136 N 0.03 0.87 -0.04 0.00 2.04 -1.43 -1.59 117.51 117.39 1jts h ILE 136 Ca 0.59 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 66.23 1jts h ILE 136 Cb 2.31 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1jts h ILE 136 CO -0.04 0.11 -0.02 1.23 0.00 0.00 0.00 178.15 179.43 1jts h GLY 137 N 0.62 0.09 0.83 5.37 0.00 -0.75 -3.05 103.07 106.18 1jts h GLY 137 Ca 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1jts h GLY 137 CO -0.25 0.08 0.00 -1.84 0.00 0.00 0.00 176.54 174.53 1jts n GLU 138 N -4.81 0.61 -3.07 4.80 0.28 -1.06 -4.63 120.64 112.76 1jts n GLU 138 Ca -0.08 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.51 1jts n GLU 138 Cb 0.25 -1.42 -0.06 0.00 1.43 0.00 0.00 31.44 31.64 1jts n GLU 138 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jts s ALA 139 N -2.00 3.46 0.08 -1.84 0.00 -0.62 -4.93 121.76 115.90 1jts s ALA 139 Ca 0.24 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.49 1jts s ALA 139 Cb 0.11 -3.22 -0.22 0.00 0.00 0.00 0.00 23.12 19.79 1jts s ALA 139 CO 0.19 -1.36 1.13 0.87 0.00 0.00 0.00 175.76 176.59 1jts h LYS 140 N 8.44 0.03 -6.39 0.00 6.56 -1.88 -3.44 116.57 119.89 1jts h LYS 140 Ca -0.26 -0.04 -0.57 0.00 -1.06 0.00 0.00 60.65 58.72 1jts h LYS 140 Cb 1.11 0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 32.74 1jts h LYS 140 CO 0.85 0.91 1.03 0.34 -2.06 0.00 0.00 179.45 180.53 1jts s ASP 141 N -6.62 6.50 0.18 0.86 3.68 -1.26 -4.92 116.67 115.09 1jts s ASP 141 Ca -0.01 1.16 -0.25 0.00 2.13 0.00 0.00 52.55 55.58 1jts s ASP 141 Cb 0.09 -2.54 0.05 0.00 -1.45 0.00 0.00 42.92 39.08 1jts s ASP 141 CO 0.83 -1.23 1.56 0.44 0.13 0.00 0.00 175.17 176.90 1jts h ASP 142 N 10.05 -1.54 -0.48 -0.34 3.32 -2.00 0.12 116.42 125.56 1jts h ASP 142 Ca -0.28 0.26 0.09 0.00 0.02 0.00 0.00 57.03 57.12 1jts h ASP 142 Cb 1.11 0.71 -0.08 0.00 0.22 0.00 0.00 39.33 41.29 1jts h ASP 142 CO 1.04 -0.32 -0.01 0.44 -1.72 0.00 0.00 179.24 178.68 1jts h ASP 143 N -0.18 -0.22 -0.34 6.45 3.45 -1.98 -0.69 116.42 122.91 1jts h ASP 143 Ca 0.20 0.12 -0.03 0.00 0.43 0.00 0.00 57.03 57.74 1jts h ASP 143 Cb 0.55 0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 39.51 1jts h ASP 143 CO -0.74 -0.07 0.12 0.74 -1.57 0.00 0.00 179.24 177.71 1jts h THR 144 N 0.11 1.18 -0.49 0.35 2.02 -1.47 -1.19 112.91 113.42 1jts h THR 144 Ca 0.24 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.75 1jts h THR 144 Cb 0.36 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1jts h THR 144 CO -0.41 0.22 0.07 0.00 0.37 0.00 0.00 175.52 175.78 1jts h ALA 145 N 1.55 0.65 -0.25 6.16 0.00 0.56 -2.08 119.26 125.86 1jts h ALA 145 Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1jts h ALA 145 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1jts h ALA 145 CO -0.01 0.39 0.16 0.22 0.00 0.00 0.00 179.25 180.01 1jts h ASP 146 N 0.68 0.29 -0.54 0.00 1.82 -0.61 -0.43 116.42 117.62 1jts h ASP 146 Ca 0.15 -0.02 0.08 0.00 -0.39 0.00 0.00 57.03 56.85 1jts h ASP 146 Cb 0.41 -0.07 -0.07 0.00 0.68 0.00 0.00 39.33 40.28 1jts h ASP 146 CO 0.01 0.22 0.17 0.40 -1.61 0.00 0.00 179.24 178.43 1jts h ILE 147 N 0.32 0.77 0.00 2.25 2.04 -1.07 -1.25 117.51 120.57 1jts h ILE 147 Ca 0.09 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 1jts h ILE 147 Cb -0.02 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1jts h ILE 147 CO -0.02 0.06 -0.37 -0.07 0.00 0.00 0.00 178.15 177.75 1jts h LEU 148 N 0.33 0.00 -0.34 1.44 3.38 -0.86 -2.36 115.31 116.90 1jts h LEU 148 Ca 0.27 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.06 1jts h LEU 148 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1jts h LEU 148 CO -0.30 0.37 -0.50 0.74 0.09 0.00 0.00 178.44 178.84 1jts h THR 149 N 0.00 1.27 -0.61 0.22 2.02 -0.00 0.12 112.91 115.93 1jts h THR 149 Ca -0.00 -1.68 -0.06 0.00 0.77 0.00 0.00 66.41 65.44 1jts h THR 149 Cb 0.67 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 1jts h THR 149 CO 0.05 0.55 0.15 0.00 0.37 0.00 0.00 175.52 176.64 1jts h ALA 150 N 0.73 0.80 -0.18 6.16 0.00 -1.11 0.86 119.26 126.52 1jts h ALA 150 Ca 0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1jts h ALA 150 Cb 1.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1jts h ALA 150 CO 0.11 0.51 -0.06 0.00 0.00 0.00 0.00 179.25 179.81 1jts h ALA 151 N 1.04 0.25 -0.58 0.00 0.00 -1.28 -2.88 119.26 115.81 1jts h ALA 151 Ca 0.19 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1jts h ALA 151 Cb 0.35 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1jts h ALA 151 CO 0.00 0.04 0.38 1.03 0.00 0.00 0.00 179.25 180.70 1jts h SER 152 N 0.06 0.66 -0.75 0.00 0.87 -0.59 0.01 113.55 113.81 1jts h SER 152 Ca 0.04 -0.02 0.15 0.00 -1.23 0.00 0.00 61.79 60.74 1jts h SER 152 Cb 0.51 -0.17 -0.10 0.00 -0.44 0.00 0.00 62.40 62.21 1jts h SER 152 CO 0.02 0.48 0.25 -0.09 -0.53 0.00 0.00 176.83 176.96 1jts h ARG 153 N 0.78 0.35 -0.10 2.24 2.43 -0.76 0.03 114.38 119.34 1jts h ARG 153 Ca 0.21 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 1jts h ARG 153 Cb -0.09 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1jts h ARG 153 CO -0.05 0.23 -0.26 -0.44 -1.51 0.00 0.00 179.97 177.94 1jts h ASP 154 N 0.36 0.41 -0.59 -3.80 3.45 -1.12 -2.86 116.42 112.26 1jts h ASP 154 Ca 0.42 -0.58 0.07 0.00 0.43 0.00 0.00 57.03 57.37 1jts h ASP 154 Cb 0.69 -0.12 -0.06 0.00 -0.56 0.00 0.00 39.33 39.28 1jts h ASP 154 CO -0.46 0.92 0.27 -0.07 -1.57 0.00 0.00 179.24 178.34 1jts h LEU 155 N -0.08 0.35 -0.96 1.55 -0.00 -0.31 0.11 115.31 115.97 1jts h LEU 155 Ca -0.00 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.91 1jts h LEU 155 Cb 0.87 -0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.48 1jts h LEU 155 CO 0.06 0.23 0.50 0.44 -0.00 0.00 0.00 178.44 179.67 1jts h ASP 156 N 0.51 1.10 -0.36 -0.43 3.45 -1.06 0.89 116.42 120.52 1jts h ASP 156 Ca 0.28 -0.09 -0.04 0.00 0.43 0.00 0.00 57.03 57.62 1jts h ASP 156 Cb 0.26 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 1jts h ASP 156 CO -0.23 0.87 0.07 0.50 -1.57 0.00 0.00 179.24 178.88 1jts h LYS 157 N 1.24 0.59 0.05 3.56 3.64 -1.03 -1.40 116.57 123.22 1jts h LYS 157 Ca 0.32 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1jts h LYS 157 Cb -0.00 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1jts h LYS 157 CO -0.05 0.64 -0.05 0.74 -2.27 0.00 0.00 179.45 178.46 1jts h PHE 158 N 0.43 -0.12 -0.49 1.91 0.05 -0.59 0.74 116.94 118.87 1jts h PHE 158 Ca 0.11 0.00 0.08 0.00 3.82 0.00 0.00 57.97 61.99 1jts h PHE 158 Cb 0.33 0.05 -0.07 0.00 2.00 0.00 0.00 35.95 38.26 1jts h PHE 158 CO 0.02 -0.07 0.10 1.25 -0.18 0.00 0.00 178.31 179.43 1jts h LEU 159 N -0.10 0.01 -0.27 1.54 5.85 -0.71 0.23 115.31 121.85 1jts h LEU 159 Ca 0.00 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1jts h LEU 159 Cb 0.10 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 1jts h LEU 159 CO -0.01 0.03 0.02 -0.25 -0.34 0.00 0.00 178.44 177.89 1jts h TRP 160 N 0.24 0.03 -0.36 1.25 7.01 -0.74 0.85 115.95 124.22 1jts h TRP 160 Ca 0.25 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.27 1jts h TRP 160 Cb 0.33 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.40 1jts h TRP 160 CO -0.22 -0.02 0.23 0.74 -2.79 0.00 0.00 178.44 176.38 1jts h PHE 161 N 0.11 0.43 0.86 2.65 -1.00 0.55 0.23 116.94 120.77 1jts h PHE 161 Ca 0.13 0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.88 1jts h PHE 161 Cb 0.16 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.57 1jts h PHE 161 CO -0.19 0.27 -0.46 0.82 -1.61 0.00 0.00 178.31 177.13 1jts h ILE 162 N 0.47 0.07 -0.84 -0.55 2.04 -0.24 -2.82 117.51 115.63 1jts h ILE 162 Ca 0.14 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.14 1jts h ILE 162 Cb -0.03 0.07 -0.09 0.00 -0.74 0.00 0.00 36.82 36.02 1jts h ILE 162 CO -0.04 0.00 0.43 -0.33 0.00 0.00 0.00 178.15 178.20 1jts h GLU 163 N -1.21 0.60 0.00 2.37 5.08 -0.68 -1.38 114.58 119.36 1jts h GLU 163 Ca -0.12 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1jts h GLU 163 Cb 0.95 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1jts h GLU 163 CO 0.16 0.40 0.00 0.77 -1.00 0.00 0.00 179.01 179.34 1jts h SER 164 N 0.62 0.00 0.79 1.42 0.02 -0.31 -1.76 113.55 114.34 1jts h SER 164 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1jts h SER 164 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1jts h SER 164 CO -0.36 0.00 -0.91 0.59 -1.14 0.00 0.00 176.83 175.01 1jts n ASN 165 N -2.69 0.72 -4.65 3.07 3.02 -0.53 -4.81 115.26 109.40 1jts n ASN 165 Ca -0.01 0.13 -0.43 0.00 -0.03 0.00 0.00 54.58 54.24 1jts n ASN 165 Cb 0.12 0.48 -0.02 0.00 -0.61 0.00 0.00 39.78 39.74 1jts n ASN 165 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jts s ILE 166 N -3.27 4.15 -2.02 2.41 1.01 -0.66 -5.00 121.20 117.82 1jts s ILE 166 Ca 0.02 1.37 0.32 0.00 0.00 0.00 0.00 60.65 62.36 1jts s ILE 166 Cb 0.12 -3.97 0.90 0.00 0.01 0.00 0.00 42.46 39.52 1jts s ILE 166 CO 0.77 -0.22 2.21 -1.84 0.00 0.00 0.00 174.94 175.87