#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1v h THR 10 N 0.00 1.11 -0.32 5.53 1.03 -2.06 -2.61 112.91 115.60 1r1v h THR 10 Ca 0.00 -0.32 -0.05 0.00 -0.01 0.00 0.00 66.41 66.03 1r1v h THR 10 Cb 0.00 1.08 -0.02 0.00 -1.07 0.00 0.00 68.15 68.15 1r1v h THR 10 CO 0.00 0.10 -0.02 0.44 -0.01 0.00 0.00 175.52 176.03 1r1v h ASP 11 N 0.10 0.47 -0.45 0.00 3.32 -2.06 -2.42 116.42 115.38 1r1v h ASP 11 Ca 0.05 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1r1v h ASP 11 Cb 0.10 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1r1v h ASP 11 CO -0.01 0.55 0.15 0.74 -1.72 0.00 0.00 179.24 178.96 1r1v h THR 12 N 0.48 1.22 -0.01 0.35 2.02 -1.97 -2.05 112.91 112.94 1r1v h THR 12 Ca 0.10 -0.72 -0.07 0.00 0.77 0.00 0.00 66.41 66.49 1r1v h THR 12 Cb 0.35 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1r1v h THR 12 CO 0.01 0.26 -0.33 -0.07 0.37 0.00 0.00 175.52 175.76 1r1v h LEU 13 N 0.59 0.03 -0.55 2.58 3.38 -1.15 -1.76 115.31 118.43 1r1v h LEU 13 Ca 0.15 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 1r1v h LEU 13 Cb 0.25 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1r1v h LEU 13 CO -0.01 0.36 -0.09 -0.33 0.09 0.00 0.00 178.44 178.46 1r1v h GLU 14 N 0.02 1.03 -0.61 1.13 4.39 -1.10 -1.64 114.58 117.81 1r1v h GLU 14 Ca 0.00 -0.38 -0.05 0.00 0.34 0.00 0.00 59.36 59.28 1r1v h GLU 14 Cb 0.60 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 1r1v h GLU 14 CO 0.04 1.07 0.20 0.00 -1.16 0.00 0.00 179.01 179.16 1r1v h ARG 15 N 0.91 0.94 0.00 2.33 3.08 -0.79 -1.41 114.38 119.44 1r1v h ARG 15 Ca 0.14 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 1r1v h ARG 15 Cb 0.66 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1r1v h ARG 15 CO 0.05 0.83 -0.35 -0.39 -1.07 0.00 0.00 179.97 179.03 1r1v h VAL 16 N 0.86 1.19 -0.49 2.04 -1.51 -1.18 -1.66 116.25 115.50 1r1v h VAL 16 Ca 0.20 -1.23 -0.03 0.00 -1.23 0.00 0.00 66.70 64.41 1r1v h VAL 16 Cb 0.27 1.67 -0.02 0.00 -2.13 0.00 0.00 31.29 31.08 1r1v h VAL 16 CO -0.01 0.34 0.20 0.74 -1.23 0.00 0.00 177.57 177.62 1r1v h THR 17 N 0.00 1.21 -0.06 7.19 2.02 -0.71 -1.41 112.91 121.15 1r1v h THR 17 Ca -0.00 -0.64 0.03 0.00 0.77 0.00 0.00 66.41 66.56 1r1v h THR 17 Cb 0.64 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 1r1v h THR 17 CO 0.05 0.24 -0.14 -0.33 0.37 0.00 0.00 175.52 175.71 1r1v h GLU 18 N 0.66 -0.20 -0.11 6.66 3.07 -0.49 0.86 114.58 125.02 1r1v h GLU 18 Ca 0.16 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.08 1r1v h GLU 18 Cb 0.19 0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.09 1r1v h GLU 18 CO -0.01 -0.13 -0.20 0.82 -1.40 0.00 0.00 179.01 178.08 1r1v h ILE 19 N -0.21 0.50 -0.37 3.13 2.04 -1.03 -2.05 117.51 119.53 1r1v h ILE 19 Ca 0.07 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.85 1r1v h ILE 19 Cb 0.30 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1r1v h ILE 19 CO -0.18 0.00 -0.11 -0.26 0.00 0.00 0.00 178.15 177.59 1r1v h PHE 20 N -0.26 0.69 0.00 1.37 0.04 -0.99 -2.14 116.94 115.65 1r1v h PHE 20 Ca 0.09 -0.12 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 1r1v h PHE 20 Cb 0.40 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 1r1v h PHE 20 CO -0.30 0.73 -0.14 0.87 -0.60 0.00 0.00 178.31 178.87 1r1v h LYS 21 N 0.58 0.00 0.00 1.51 1.57 -0.46 -1.39 116.57 118.39 1r1v h LYS 21 Ca 0.10 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 1r1v h LYS 21 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1r1v h LYS 21 CO 0.03 0.14 -0.52 0.00 -0.57 0.00 0.00 179.45 178.54 1r1v h ALA 22 N 1.86 0.68 0.00 3.86 0.00 -0.73 -3.20 119.26 121.73 1r1v h ALA 22 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1r1v h ALA 22 Cb 0.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1r1v h ALA 22 CO 0.02 0.65 -0.63 -0.07 0.00 0.00 0.00 179.25 179.22 1r1v h LEU 23 N 0.00 0.00 -4.65 0.00 3.38 -1.00 -3.39 115.31 109.65 1r1v h LEU 23 Ca -0.01 -0.12 -0.35 0.00 0.09 0.00 0.00 57.88 57.50 1r1v h LEU 23 Cb 1.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 1r1v h LEU 23 CO 0.07 0.06 1.51 0.61 0.09 0.00 0.00 178.44 180.78 1r1v n GLY 24 N 1.27 3.22 3.22 0.83 0.00 -0.60 -4.53 105.19 108.59 1r1v n GLY 24 Ca 0.03 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.82 1r1v n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r1v s ASP 25 N 2.40 -0.41 0.16 1.61 -1.08 -1.26 -5.05 116.67 113.04 1r1v s ASP 25 Ca 0.57 0.83 -0.19 0.00 -0.52 0.00 0.00 52.55 53.23 1r1v s ASP 25 Cb 0.21 0.77 0.06 0.00 -1.46 0.00 0.00 42.92 42.50 1r1v s ASP 25 CO -0.02 -0.20 1.65 0.22 0.52 0.00 0.00 175.17 177.34 1r1v h TYR 26 N 7.31 -0.39 -0.00 -5.34 3.20 -1.97 -0.62 116.97 119.15 1r1v h TYR 26 Ca -0.34 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.45 1r1v h TYR 26 Cb 1.17 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.64 1r1v h TYR 26 CO 0.27 -0.23 -0.53 -0.91 -1.64 0.00 0.00 178.16 175.12 1r1v h ASN 27 N -0.11 0.01 0.55 -2.11 2.35 -1.97 -1.50 115.58 112.79 1r1v h ASN 27 Ca 0.16 -0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.77 1r1v h ASN 27 Cb 0.36 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1r1v h ASN 27 CO -0.39 0.54 -0.62 0.03 -1.65 0.00 0.00 177.43 175.34 1r1v h ARG 28 N 0.01 0.07 -0.39 0.81 3.08 -1.78 -1.37 114.38 114.81 1r1v h ARG 28 Ca -0.00 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.86 1r1v h ARG 28 Cb 0.94 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 1r1v h ARG 28 CO 0.07 0.66 -0.30 0.82 -1.07 0.00 0.00 179.97 180.15 1r1v h ILE 29 N 0.05 1.28 -0.25 2.04 1.08 -0.79 -0.14 117.51 120.78 1r1v h ILE 29 Ca -0.01 -1.46 -0.06 0.00 -0.39 0.00 0.00 64.86 62.94 1r1v h ILE 29 Cb 1.10 1.36 -0.01 0.00 -3.07 0.00 0.00 36.82 36.19 1r1v h ILE 29 CO 0.08 0.49 -0.11 0.03 -0.69 0.00 0.00 178.15 177.95 1r1v h ARG 30 N 0.69 0.41 -0.21 2.37 3.08 -1.01 0.83 114.38 120.55 1r1v h ARG 30 Ca 0.07 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 1r1v h ARG 30 Cb 0.88 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 1r1v h ARG 30 CO 0.08 0.53 -0.34 0.82 -1.07 0.00 0.00 179.97 179.99 1r1v h ILE 31 N 0.39 1.33 -0.23 2.04 2.04 -0.95 -2.17 117.51 119.96 1r1v h ILE 31 Ca 0.08 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.36 1r1v h ILE 31 Cb 0.44 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1r1v h ILE 31 CO 0.02 0.48 0.08 0.24 0.00 0.00 0.00 178.15 178.98 1r1v h MET 32 N 0.28 0.35 -0.51 2.37 2.86 -0.70 -1.30 114.93 118.28 1r1v h MET 32 Ca 0.02 -0.07 0.05 0.00 -2.06 0.00 0.00 59.70 57.64 1r1v h MET 32 Cb 0.93 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.49 1r1v h MET 32 CO 0.08 0.41 0.23 1.49 1.06 0.00 0.00 176.91 180.17 1r1v h GLU 33 N 0.21 0.43 -0.63 1.72 4.22 -0.87 0.18 114.58 119.85 1r1v h GLU 33 Ca 0.08 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.45 1r1v h GLU 33 Cb 0.20 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1r1v h GLU 33 CO -0.00 0.29 0.26 1.25 -2.18 0.00 0.00 179.01 178.62 1r1v h LEU 34 N 0.44 0.86 -1.53 1.64 5.85 -1.24 -2.20 115.31 119.14 1r1v h LEU 34 Ca 0.23 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1r1v h LEU 34 Cb 0.19 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1r1v h LEU 34 CO -0.19 0.79 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.39 1r1v h LEU 35 N 0.87 0.00 -1.16 2.25 4.07 -0.37 -1.56 115.31 119.42 1r1v h LEU 35 Ca 0.21 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1r1v h LEU 35 Cb 0.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1r1v h LEU 35 CO -0.02 0.24 0.00 0.77 -1.08 0.00 0.00 178.44 178.35 1r1v h SER 36 N 0.00 0.00 0.04 -0.43 4.64 -0.02 -3.02 113.55 114.76 1r1v h SER 36 Ca -0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 1r1v h SER 36 Cb 0.42 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.47 1r1v h SER 36 CO 0.03 0.00 -1.76 0.52 -0.87 0.00 0.00 176.83 174.75 1r1v n VAL 37 N -2.68 1.60 -3.66 0.95 0.31 -0.66 -5.00 118.33 109.18 1r1v n VAL 37 Ca 0.01 -0.30 -0.12 0.00 -0.01 0.00 0.00 64.34 63.91 1r1v n VAL 37 Cb 0.26 -1.88 -0.08 0.00 -0.91 0.00 0.00 33.84 31.22 1r1v n VAL 37 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1r1v s SER 38 N -6.98 -0.68 0.90 4.52 0.15 -0.74 -5.14 113.70 105.73 1r1v s SER 38 Ca -0.29 1.25 -0.10 0.00 0.70 0.00 0.00 55.95 57.50 1r1v s SER 38 Cb 0.08 1.23 0.14 0.00 -1.71 0.00 0.00 66.02 65.75 1r1v s SER 38 CO 0.63 -0.21 1.15 -1.83 1.20 0.00 0.00 173.24 174.18 1r1v s GLU 39 N 0.62 1.09 0.04 5.44 -1.05 -1.26 -4.15 118.70 119.43 1r1v s GLU 39 Ca -0.02 1.57 -0.28 0.00 -0.15 0.00 0.00 54.97 56.08 1r1v s GLU 39 Cb -0.05 -1.73 0.10 0.00 -0.44 0.00 0.00 34.13 32.01 1r1v s GLU 39 CO -0.04 -2.58 1.09 0.00 0.95 0.00 0.00 175.26 174.68 1r1v s ALA 40 N -2.61 -1.93 0.55 -0.84 0.00 -0.14 -4.94 121.76 111.86 1r1v s ALA 40 Ca 0.67 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 53.23 1r1v s ALA 40 Cb -0.23 0.43 0.03 0.00 0.00 0.00 0.00 23.12 23.34 1r1v s ALA 40 CO 0.57 -0.95 0.80 -1.54 0.00 0.00 0.00 175.76 174.64 1r1v s SER 41 N -2.81 5.36 0.23 0.00 1.04 -1.26 -0.19 113.70 116.06 1r1v s SER 41 Ca 0.12 0.18 -0.08 0.00 0.48 0.00 0.00 55.95 56.65 1r1v s SER 41 Cb 0.01 -1.12 0.22 0.00 0.10 0.00 0.00 66.02 65.23 1r1v s SER 41 CO -0.02 -1.10 1.90 0.58 0.98 0.00 0.00 173.24 175.57 1r1v h VAL 42 N 0.03 1.20 -0.53 5.02 2.07 -1.99 -1.23 116.25 120.82 1r1v h VAL 42 Ca -0.44 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1r1v h VAL 42 Cb 1.29 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1r1v h VAL 42 CO 0.55 0.21 0.26 1.23 0.02 0.00 0.00 177.57 179.84 1r1v h GLY 43 N 1.15 0.81 0.83 2.17 0.00 -1.95 0.15 103.07 106.23 1r1v h GLY 43 Ca 0.33 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1r1v h GLY 43 CO -0.08 0.37 0.01 0.84 0.00 0.00 0.00 176.54 177.68 1r1v h HIS 44 N 0.70 0.03 -0.51 5.60 6.17 -1.88 0.98 115.15 126.24 1r1v h HIS 44 Ca 0.18 -0.00 0.04 0.00 0.71 0.00 0.00 60.37 61.30 1r1v h HIS 44 Cb 0.10 -0.01 -0.04 0.00 2.52 0.00 0.00 27.41 29.98 1r1v h HIS 44 CO -0.01 0.19 0.27 0.82 0.71 0.00 0.00 177.93 179.91 1r1v h ILE 45 N -0.14 0.98 -0.75 6.26 2.04 -1.07 0.01 117.51 124.84 1r1v h ILE 45 Ca 0.01 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 1r1v h ILE 45 Cb 0.17 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1r1v h ILE 45 CO -0.00 0.10 0.27 -1.28 0.00 0.00 0.00 178.15 177.24 1r1v h SER 46 N 0.54 1.05 0.21 1.72 0.87 -0.55 -2.13 113.55 115.25 1r1v h SER 46 Ca 0.22 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1r1v h SER 46 Cb 0.10 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 1r1v h SER 46 CO -0.14 0.95 -0.10 -0.74 -0.53 0.00 0.00 176.83 176.27 1r1v h HIS 47 N 1.10 -0.26 -0.79 2.24 -0.00 -0.18 -1.40 115.15 115.86 1r1v h HIS 47 Ca 0.25 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.64 1r1v h HIS 47 Cb 0.25 0.09 -0.05 0.00 -0.00 0.00 0.00 27.41 27.70 1r1v h HIS 47 CO 0.02 0.14 0.51 0.37 -0.00 0.00 0.00 177.93 178.97 1r1v h GLN 48 N -0.78 0.96 -0.01 5.26 4.15 -1.04 -3.04 115.11 120.61 1r1v h GLN 48 Ca -0.03 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1r1v h GLN 48 Cb 0.51 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1r1v h GLN 48 CO 0.05 0.64 -0.38 1.28 -1.93 0.00 0.00 178.83 178.48 1r1v n LEU 49 N -4.59 1.14 -3.31 -2.39 4.77 -0.80 -4.98 117.00 106.83 1r1v n LEU 49 Ca 0.09 -0.33 -0.16 0.00 -0.03 0.00 0.00 56.01 55.58 1r1v n LEU 49 Cb 0.08 -0.11 0.08 0.00 -2.33 0.00 0.00 43.42 41.14 1r1v n LEU 49 CO 0.34 0.22 0.09 -3.20 -1.33 0.00 0.00 177.39 173.51 1r1v n ASN 50 N -0.71 -3.02 -4.16 -1.43 4.05 -0.58 -5.03 115.26 104.39 1r1v n ASN 50 Ca 0.10 -0.62 -0.21 0.00 0.45 0.00 0.00 54.58 54.30 1r1v n ASN 50 Cb 0.37 -4.98 -0.14 0.00 1.23 0.00 0.00 39.78 36.26 1r1v n ASN 50 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1r1v s LEU 51 N -6.01 2.16 0.55 1.20 1.43 -0.90 -5.06 118.68 112.05 1r1v s LEU 51 Ca 0.10 -0.46 -0.19 0.00 -1.03 0.00 0.00 54.13 52.56 1r1v s LEU 51 Cb -0.01 -0.68 -0.05 0.00 0.03 0.00 0.00 46.19 45.48 1r1v s LEU 51 CO 0.71 0.07 1.10 -0.94 0.23 0.00 0.00 176.35 177.51 1r1v s SER 52 N -1.09 5.77 0.37 2.29 1.04 -1.26 -4.40 113.70 116.41 1r1v s SER 52 Ca 0.03 2.06 0.08 0.00 0.48 0.00 0.00 55.95 58.60 1r1v s SER 52 Cb -0.08 -2.57 0.80 0.00 0.10 0.00 0.00 66.02 64.27 1r1v s SER 52 CO 0.01 -1.18 1.94 1.56 0.98 0.00 0.00 173.24 176.55 1r1v h GLN 53 N 1.03 0.68 -0.47 4.02 4.20 -1.91 0.49 115.11 123.13 1r1v h GLN 53 Ca -0.49 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.09 1r1v h GLN 53 Cb 1.25 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.86 1r1v h GLN 53 CO 0.57 0.45 -0.06 0.66 -0.67 0.00 0.00 178.83 179.78 1r1v h SER 54 N 0.70 0.87 -0.34 1.46 4.64 -1.98 0.12 113.55 119.02 1r1v h SER 54 Ca 0.34 -0.34 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1r1v h SER 54 Cb 0.41 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1r1v h SER 54 CO -0.12 1.00 -0.07 -1.13 -0.87 0.00 0.00 176.83 175.63 1r1v h ASN 55 N 0.72 0.65 -0.53 4.97 -0.00 -1.71 -1.72 115.58 117.95 1r1v h ASN 55 Ca 0.13 -0.36 0.01 0.00 -0.00 0.00 0.00 56.30 56.08 1r1v h ASN 55 Cb 0.59 -0.18 -0.03 0.00 -0.00 0.00 0.00 38.32 38.70 1r1v h ASN 55 CO 0.04 0.85 0.34 0.58 -0.00 0.00 0.00 177.43 179.24 1r1v h VAL 56 N 0.43 1.10 -0.82 2.57 2.07 -0.77 -1.19 116.25 119.65 1r1v h VAL 56 Ca 0.09 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1r1v h VAL 56 Cb 0.56 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1r1v h VAL 56 CO 0.03 0.12 0.42 0.28 0.02 0.00 0.00 177.57 178.45 1r1v h SER 57 N 0.68 1.03 -0.64 0.57 0.02 -0.64 -0.79 113.55 113.79 1r1v h SER 57 Ca 0.20 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1r1v h SER 57 Cb -0.04 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.21 1r1v h SER 57 CO -0.07 0.85 0.20 -0.74 -1.14 0.00 0.00 176.83 175.93 1r1v h HIS 58 N 1.15 1.03 -0.25 3.45 6.17 -0.81 -1.69 115.15 124.19 1r1v h HIS 58 Ca 0.28 -0.10 -0.14 0.00 0.71 0.00 0.00 60.37 61.12 1r1v h HIS 58 Cb 0.06 -0.30 -0.00 0.00 2.52 0.00 0.00 27.41 29.69 1r1v h HIS 58 CO 0.01 0.84 -0.39 1.96 0.71 0.00 0.00 177.93 181.06 1r1v h GLN 59 N 0.92 0.72 -0.57 5.26 1.08 -0.82 -3.02 115.11 118.67 1r1v h GLN 59 Ca 0.21 -0.43 -0.03 0.00 -1.45 0.00 0.00 58.65 56.95 1r1v h GLN 59 Cb 0.29 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 1r1v h GLN 59 CO -0.01 1.05 0.25 -0.07 -0.95 0.00 0.00 178.83 179.10 1r1v h LEU 60 N 0.44 0.74 -0.54 1.46 3.38 -1.06 0.35 115.31 120.09 1r1v h LEU 60 Ca 0.02 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1r1v h LEU 60 Cb 0.99 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1r1v h LEU 60 CO 0.09 0.65 0.33 0.50 0.09 0.00 0.00 178.44 180.11 1r1v h LYS 61 N 0.81 0.65 0.09 1.13 3.64 -1.26 0.50 116.57 122.13 1r1v h LYS 61 Ca 0.20 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1r1v h LYS 61 Cb 0.13 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1r1v h LYS 61 CO -0.02 0.43 -0.04 1.25 -2.27 0.00 0.00 179.45 178.80 1r1v h LEU 62 N 0.67 -0.10 -1.27 5.20 5.85 -1.27 -1.64 115.31 122.75 1r1v h LEU 62 Ca 0.21 -0.27 0.12 0.00 0.84 0.00 0.00 57.88 58.78 1r1v h LEU 62 Cb -0.01 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 1r1v h LEU 62 CO -0.08 0.22 0.56 -0.07 -0.34 0.00 0.00 178.44 178.73 1r1v h LEU 63 N -0.44 0.70 -0.36 2.25 3.38 -0.60 -1.95 115.31 118.28 1r1v h LEU 63 Ca -0.01 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 1r1v h LEU 63 Cb 0.37 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1r1v h LEU 63 CO 0.02 0.39 -0.43 0.50 0.09 0.00 0.00 178.44 179.01 1r1v h LYS 64 N 0.76 0.93 -0.00 1.13 3.64 0.19 -0.76 116.57 122.46 1r1v h LYS 64 Ca 0.42 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1r1v h LYS 64 Cb 0.56 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1r1v h LYS 64 CO -0.18 1.17 0.00 0.66 -2.27 0.00 0.00 179.45 178.83 1r1v h SER 65 N 0.75 0.00 -0.47 4.20 4.64 -0.49 0.71 113.55 122.90 1r1v h SER 65 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1r1v h SER 65 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1r1v h SER 65 CO 0.10 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.39 1r1v n VAL 66 N -3.69 2.06 -2.98 0.95 0.24 -1.17 -4.97 118.33 108.77 1r1v n VAL 66 Ca -0.03 -1.44 -0.22 0.00 -2.04 0.00 0.00 64.34 60.61 1r1v n VAL 66 Cb 0.08 -0.02 0.03 0.00 -1.47 0.00 0.00 33.84 32.46 1r1v n VAL 66 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1r1v n HIS 67 N 0.41 -1.91 -0.02 6.34 -0.00 0.24 -4.87 115.22 115.41 1r1v n HIS 67 Ca 0.23 0.49 -0.09 0.00 -0.00 0.00 0.00 57.72 58.35 1r1v n HIS 67 Cb 0.89 -4.47 -0.14 0.00 -0.00 0.00 0.00 29.99 26.27 1r1v n HIS 67 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1r1v h LEU 68 N -1.30 0.02 -8.49 2.41 3.38 -1.33 -3.42 115.31 106.58 1r1v h LEU 68 Ca -0.53 -0.03 -0.33 0.00 0.09 0.00 0.00 57.88 57.08 1r1v h LEU 68 Cb 1.37 -0.01 -0.18 0.00 0.09 0.00 0.00 40.66 41.94 1r1v h LEU 68 CO 0.57 1.03 -0.73 0.68 0.09 0.00 0.00 178.44 180.08 1r1v s VAL 69 N -2.60 1.00 0.16 1.22 -7.23 -1.20 -1.47 120.40 110.28 1r1v s VAL 69 Ca -0.05 -1.69 0.05 0.00 -1.81 0.00 0.00 61.98 58.48 1r1v s VAL 69 Cb 0.08 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 1r1v s VAL 69 CO 0.82 -0.56 -0.10 -1.59 -0.31 0.00 0.00 175.10 173.36 1r1v s LYS 70 N -2.87 1.10 0.02 4.82 -2.85 -0.29 -4.35 119.74 115.32 1r1v s LYS 70 Ca 0.07 -1.48 0.03 0.00 -1.00 0.00 0.00 55.97 53.59 1r1v s LYS 70 Cb -0.03 -0.66 -0.02 0.00 -2.06 0.00 0.00 37.83 35.07 1r1v s LYS 70 CO 0.00 0.07 -0.10 0.00 0.10 0.00 0.00 175.35 175.42 1r1v s ALA 71 N -3.31 0.82 -0.02 0.59 0.00 -1.26 -1.83 121.76 116.74 1r1v s ALA 71 Ca 0.18 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1r1v s ALA 71 Cb 0.03 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.06 1r1v s ALA 71 CO 0.02 0.14 0.01 0.21 0.00 0.00 0.00 175.76 176.14 1r1v s LYS 72 N -0.90 0.10 -0.17 0.00 2.20 -0.45 -4.93 119.74 115.58 1r1v s LYS 72 Ca -0.01 0.12 -0.29 0.00 -0.36 0.00 0.00 55.97 55.43 1r1v s LYS 72 Cb -0.07 -0.32 -0.00 0.00 -1.51 0.00 0.00 37.83 35.93 1r1v s LYS 72 CO 0.00 -0.14 1.10 0.50 -0.36 0.00 0.00 175.35 176.46 1r1v s ARG 73 N 0.95 4.30 -0.31 4.03 3.52 -1.26 0.38 118.95 130.56 1r1v s ARG 73 Ca -0.09 1.47 -0.01 0.00 -0.13 0.00 0.00 55.73 56.98 1r1v s ARG 73 Cb -0.12 -3.64 0.10 0.00 -1.56 0.00 0.00 34.95 29.73 1r1v s ARG 73 CO -0.02 -0.56 0.10 -0.65 -0.81 0.00 0.00 175.30 173.35 1r1v s GLN 74 N 2.91 0.68 1.59 5.12 -0.21 -0.86 -4.94 119.66 123.96 1r1v s GLN 74 Ca 0.49 -1.03 0.00 0.00 0.02 0.00 0.00 55.36 54.83 1r1v s GLN 74 Cb -0.18 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 31.88 1r1v s GLN 74 CO 0.12 -0.98 0.00 0.41 -2.12 0.00 0.00 175.29 172.72 1r1v n GLY 75 N 4.87 1.29 0.50 3.09 0.00 -1.26 -4.17 105.19 109.51 1r1v n GLY 75 Ca -0.02 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 1r1v n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1r1v n GLN 76 N 0.00 0.25 -3.13 1.61 6.02 -1.26 -5.07 117.38 115.80 1r1v n GLN 76 Ca 0.00 0.10 -0.22 0.00 -0.01 0.00 0.00 57.00 56.87 1r1v n GLN 76 Cb 0.00 -0.99 0.01 0.00 1.02 0.00 0.00 30.24 30.28 1r1v n GLN 76 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1r1v s SER 77 N -5.82 5.89 0.09 1.08 1.04 -1.26 -5.07 113.70 109.65 1r1v s SER 77 Ca -0.16 0.17 -0.25 0.00 0.48 0.00 0.00 55.95 56.19 1r1v s SER 77 Cb 0.06 -1.49 -0.06 0.00 0.10 0.00 0.00 66.02 64.63 1r1v s SER 77 CO 0.22 -0.61 0.77 -0.04 0.98 0.00 0.00 173.24 174.56 1r1v s MET 78 N -4.44 4.52 -0.23 4.02 -1.94 -1.26 -2.02 119.30 117.94 1r1v s MET 78 Ca 0.47 1.10 -0.06 0.00 -1.71 0.00 0.00 55.69 55.49 1r1v s MET 78 Cb -0.10 -3.33 -0.02 0.00 2.01 0.00 0.00 34.83 33.39 1r1v s MET 78 CO 0.36 0.38 0.03 0.42 -0.01 0.00 0.00 175.02 176.20 1r1v s ILE 79 N -0.43 4.05 0.18 2.53 -1.09 0.16 -4.31 121.20 122.28 1r1v s ILE 79 Ca 0.38 -0.27 -0.03 0.00 -2.23 0.00 0.00 60.65 58.50 1r1v s ILE 79 Cb -0.21 -2.87 -0.05 0.00 -1.58 0.00 0.00 42.46 37.75 1r1v s ILE 79 CO 0.24 0.38 0.40 -0.31 -1.23 0.00 0.00 174.94 174.42 1r1v s TYR 80 N 1.43 3.48 0.24 3.97 2.02 0.73 -1.35 117.35 127.88 1r1v s TYR 80 Ca 0.05 0.48 -0.21 0.00 -0.37 0.00 0.00 57.07 57.02 1r1v s TYR 80 Cb -0.15 -1.95 0.03 0.00 -0.40 0.00 0.00 41.96 39.49 1r1v s TYR 80 CO 0.02 0.39 0.66 -1.54 -1.57 0.00 0.00 175.55 173.51 1r1v s SER 81 N -2.80 -0.33 0.42 2.29 1.04 -0.76 -0.96 113.70 112.60 1r1v s SER 81 Ca 0.40 -0.46 -0.26 0.00 0.48 0.00 0.00 55.95 56.11 1r1v s SER 81 Cb -0.12 0.68 -0.08 0.00 0.10 0.00 0.00 66.02 66.60 1r1v s SER 81 CO 0.27 -1.22 1.34 -0.76 0.98 0.00 0.00 173.24 173.85 1r1v s LEU 82 N -2.88 4.17 0.09 2.42 1.02 -1.26 -1.14 118.68 121.10 1r1v s LEU 82 Ca 0.09 2.74 -0.28 0.00 0.02 0.00 0.00 54.13 56.69 1r1v s LEU 82 Cb -0.04 -3.93 -0.11 0.00 0.02 0.00 0.00 46.19 42.13 1r1v s LEU 82 CO 0.01 -0.97 1.46 -0.78 0.02 0.00 0.00 176.35 176.09 1r1v h ASP 83 N 2.52 -1.40 -2.24 2.29 3.58 -1.51 -3.41 116.42 116.26 1r1v h ASP 83 Ca -0.50 0.16 -0.08 0.00 0.42 0.00 0.00 57.03 57.03 1r1v h ASP 83 Cb 1.25 0.53 -0.02 0.00 1.72 0.00 0.00 39.33 42.82 1r1v h ASP 83 CO 0.62 -0.43 -0.02 -0.90 -2.88 0.00 0.00 179.24 175.64 1r1v n ASP 84 N -4.94 -0.54 -0.18 2.28 3.85 -1.26 -4.86 116.55 110.89 1r1v n ASP 84 Ca -0.06 -1.63 0.06 0.00 -0.71 0.00 0.00 54.79 52.45 1r1v n ASP 84 Cb 0.32 0.98 0.34 0.00 -1.35 0.00 0.00 41.12 41.42 1r1v n ASP 84 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 1r1v h ILE 85 N 1.35 1.04 -0.93 2.12 2.10 -2.00 -2.17 117.51 119.01 1r1v h ILE 85 Ca -0.10 -0.27 -0.00 0.00 1.08 0.00 0.00 64.86 65.57 1r1v h ILE 85 Cb 0.41 0.19 -0.05 0.00 -1.09 0.00 0.00 36.82 36.29 1r1v h ILE 85 CO 0.13 0.14 0.57 0.45 -1.08 0.00 0.00 178.15 178.36 1r1v h HIS 86 N 0.78 1.23 -0.30 2.19 -0.00 -1.99 0.32 115.15 117.38 1r1v h HIS 86 Ca 0.31 -0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.59 1r1v h HIS 86 Cb 0.22 -0.40 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 1r1v h HIS 86 CO -0.00 0.81 -0.15 0.28 -0.00 0.00 0.00 177.93 178.87 1r1v h VAL 87 N 1.29 1.29 -0.25 2.45 2.07 -1.78 -0.81 116.25 120.50 1r1v h VAL 87 Ca 0.34 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1r1v h VAL 87 Cb -0.06 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1r1v h VAL 87 CO -0.06 0.40 0.10 0.00 0.02 0.00 0.00 177.57 178.03 1r1v h ALA 88 N 0.75 0.33 -0.06 1.67 0.00 -1.11 -1.05 119.26 119.79 1r1v h ALA 88 Ca 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1r1v h ALA 88 Cb 0.67 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1r1v h ALA 88 CO 0.04 -0.08 0.03 1.15 0.00 0.00 0.00 179.25 180.40 1r1v h THR 89 N 0.26 1.08 -0.41 0.00 2.02 -0.94 -0.47 112.91 114.45 1r1v h THR 89 Ca 0.08 -0.24 0.08 0.00 0.77 0.00 0.00 66.41 67.10 1r1v h THR 89 Cb 0.17 1.14 -0.07 0.00 -1.74 0.00 0.00 68.15 67.65 1r1v h THR 89 CO -0.01 0.07 -0.07 -0.03 0.37 0.00 0.00 175.52 175.85 1r1v h MET 90 N -0.01 0.03 -0.02 6.66 -1.53 -1.01 0.40 114.93 119.46 1r1v h MET 90 Ca 0.02 -0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.27 1r1v h MET 90 Cb 0.09 -0.01 -0.00 0.00 -0.55 0.00 0.00 31.60 31.13 1r1v h MET 90 CO -0.00 0.02 -0.00 1.25 0.14 0.00 0.00 176.91 178.32 1r1v h LEU 91 N 0.03 0.03 -1.10 3.39 5.85 -1.04 -2.70 115.31 119.77 1r1v h LEU 91 Ca 0.20 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1r1v h LEU 91 Cb 0.30 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1r1v h LEU 91 CO -0.39 0.36 0.20 0.11 -0.34 0.00 0.00 178.44 178.37 1r1v h LYS 92 N -0.29 0.83 -0.63 1.25 1.57 -0.89 -0.70 116.57 117.71 1r1v h LYS 92 Ca 0.00 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.56 1r1v h LYS 92 Cb 0.34 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1r1v h LYS 92 CO 0.00 0.71 0.06 1.96 -0.57 0.00 0.00 179.45 181.61 1r1v h GLN 93 N 0.82 1.07 -0.27 3.15 1.08 -0.94 -2.26 115.11 117.75 1r1v h GLN 93 Ca 0.19 -0.31 -0.08 0.00 -1.45 0.00 0.00 58.65 57.01 1r1v h GLN 93 Cb 0.21 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 1r1v h GLN 93 CO -0.01 1.01 -0.13 0.00 -0.95 0.00 0.00 178.83 178.74 1r1v h ALA 94 N 1.06 0.38 -0.29 3.87 0.00 -1.08 -0.97 119.26 122.23 1r1v h ALA 94 Ca 0.19 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1r1v h ALA 94 Cb 0.49 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1r1v h ALA 94 CO 0.02 0.26 0.04 0.82 0.00 0.00 0.00 179.25 180.39 1r1v h ILE 95 N 0.31 0.84 -0.61 0.00 1.08 -1.07 -1.46 117.51 116.59 1r1v h ILE 95 Ca 0.06 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.46 1r1v h ILE 95 Cb 0.64 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 35.05 1r1v h ILE 95 CO 0.04 0.03 0.29 -0.74 -0.69 0.00 0.00 178.15 177.07 1r1v h HIS 96 N 0.14 0.89 -0.19 1.37 2.76 -1.36 -2.51 115.15 116.25 1r1v h HIS 96 Ca 0.13 -0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.24 1r1v h HIS 96 Cb 0.15 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 1r1v h HIS 96 CO -0.18 0.68 0.02 1.25 -1.30 0.00 0.00 177.93 178.41 1r1v h HIS 97 N 0.84 0.27 -0.10 5.26 -0.00 -0.66 -1.53 115.15 119.24 1r1v h HIS 97 Ca 0.21 -0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.41 1r1v h HIS 97 Cb 0.13 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.45 1r1v h HIS 97 CO 0.00 0.26 -0.63 0.00 -0.00 0.00 0.00 177.93 177.57 1r1v h ALA 98 N 1.76 0.73 0.10 5.26 0.00 -0.87 -3.35 119.26 122.88 1r1v h ALA 98 Ca 0.07 -0.56 -0.31 0.00 0.00 0.00 0.00 54.91 54.10 1r1v h ALA 98 Cb 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1r1v h ALA 98 CO 0.00 0.73 -1.65 -0.91 0.00 0.00 0.00 179.25 177.42 1r1v h ASN 99 N 0.27 0.33 -4.23 0.00 2.35 -1.00 -3.48 115.58 109.83 1r1v h ASN 99 Ca -0.01 -0.53 -0.52 0.00 -0.55 0.00 0.00 56.30 54.68 1r1v h ASN 99 Cb 1.17 -0.11 0.16 0.00 0.05 0.00 0.00 38.32 39.59 1r1v h ASN 99 CO 0.11 1.46 0.33 -1.38 -1.65 0.00 0.00 177.43 176.29 1r1v s HIS 100 N -2.60 2.04 0.20 1.19 -3.43 -0.64 -4.92 115.29 107.13 1r1v s HIS 100 Ca -0.11 1.65 -0.32 0.00 -0.80 0.00 0.00 55.06 55.48 1r1v s HIS 100 Cb 0.07 -3.35 -0.11 0.00 -1.43 0.00 0.00 32.58 27.76 1r1v s HIS 100 CO 0.83 -2.48 1.65 -2.14 -2.00 0.00 0.00 174.74 170.60 1r1v s PRO 101 N -4.29 4.16 -0.22 -0.38 0.02 -1.26 -5.00 135.00 128.03 1r1v s PRO 101 Ca 0.70 2.51 -0.03 0.00 0.02 0.00 0.00 61.00 64.20 1r1v s PRO 101 Cb -0.25 -3.10 0.07 0.00 0.02 0.00 0.00 34.50 31.24 1r1v s PRO 101 CO 0.50 -0.68 0.05 0.15 -0.33 0.00 0.00 177.00 176.70 1r1v s LYS 102 N 0.94 0.59 0.00 5.54 1.02 -1.26 -5.18 119.74 121.39 1r1v s LYS 102 Ca 0.71 -0.50 0.28 0.00 0.02 0.00 0.00 55.97 56.48 1r1v s LYS 102 Cb -0.47 -2.01 0.98 0.00 -0.52 0.00 0.00 37.83 35.81 1r1v s LYS 102 CO 0.34 -0.72 1.71 -0.85 -0.92 0.00 0.00 175.35 174.90