#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jwy s VAL 2 N 0.00 4.89 -0.38 2.03 -7.23 -1.26 -5.09 120.40 113.36 2jwy s VAL 2 Ca 0.00 -0.87 0.05 0.00 -1.81 0.00 0.00 61.98 59.35 2jwy s VAL 2 Cb 0.00 -3.50 0.17 0.00 0.56 0.00 0.00 36.38 33.61 2jwy s VAL 2 CO 0.00 -0.09 0.49 -1.58 -0.31 0.00 0.00 175.10 173.62 2jwy s GLN 3 N -3.12 0.70 0.38 4.82 0.74 -1.26 -5.16 119.66 116.77 2jwy s GLN 3 Ca 0.33 -0.52 -0.10 0.00 0.05 0.00 0.00 55.36 55.11 2jwy s GLN 3 Cb -0.11 -0.33 -0.06 0.00 1.10 0.00 0.00 33.01 33.61 2jwy s GLN 3 CO 0.26 -1.18 0.73 -0.65 -0.55 0.00 0.00 175.29 173.90 2jwy s GLN 4 N 1.70 3.77 0.12 1.67 -1.52 -1.26 -5.10 119.66 119.03 2jwy s GLN 4 Ca 0.16 0.41 -0.10 0.00 -1.95 0.00 0.00 55.36 53.88 2jwy s GLN 4 Cb -0.10 -2.43 0.00 0.00 -0.22 0.00 0.00 33.01 30.26 2jwy s GLN 4 CO -0.07 0.02 0.25 -1.12 -0.25 0.00 0.00 175.29 174.12 2jwy s SER 5 N -3.09 0.04 -0.06 5.90 0.01 -1.26 -5.17 113.70 110.07 2jwy s SER 5 Ca 0.50 -0.66 0.04 0.00 1.31 0.00 0.00 55.95 57.15 2jwy s SER 5 Cb -0.10 0.39 -0.00 0.00 0.21 0.00 0.00 66.02 66.52 2jwy s SER 5 CO 0.30 -0.80 -0.19 -1.61 0.41 0.00 0.00 173.24 171.36 2jwy s GLU 6 N -3.88 2.07 -0.22 12.44 2.02 -1.26 -5.13 118.70 124.74 2jwy s GLU 6 Ca 0.08 -0.66 -0.10 0.00 0.02 0.00 0.00 54.97 54.31 2jwy s GLU 6 Cb 0.04 -1.73 -0.05 0.00 0.10 0.00 0.00 34.13 32.49 2jwy s GLU 6 CO -0.08 0.22 0.14 0.14 0.02 0.00 0.00 175.26 175.70 2jwy s VAL 7 N 0.15 5.33 0.08 2.63 -7.23 -1.26 -5.10 120.40 115.00 2jwy s VAL 7 Ca -0.08 0.17 0.05 0.00 -1.81 0.00 0.00 61.98 60.31 2jwy s VAL 7 Cb -0.13 -3.46 -0.03 0.00 0.56 0.00 0.00 36.38 33.31 2jwy s VAL 7 CO 0.04 0.38 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.95 2jwy s ARG 8 N 0.79 0.82 0.71 4.82 0.52 -1.26 -5.16 118.95 120.19 2jwy s ARG 8 Ca 0.07 -0.99 -0.11 0.00 -0.52 0.00 0.00 55.73 54.18 2jwy s ARG 8 Cb -0.13 -0.75 0.01 0.00 0.52 0.00 0.00 34.95 34.60 2jwy s ARG 8 CO 0.02 0.16 1.09 1.14 0.02 0.00 0.00 175.30 177.72 2jwy s GLN 9 N -1.94 2.85 0.27 3.54 -2.07 -1.26 -5.10 119.66 115.95 2jwy s GLN 9 Ca -0.01 0.56 0.00 0.00 -1.82 0.00 0.00 55.36 54.09 2jwy s GLN 9 Cb -0.09 -2.01 -0.00 0.00 -1.09 0.00 0.00 33.01 29.82 2jwy s GLN 9 CO 0.02 -1.06 0.00 -1.33 -1.32 0.00 0.00 175.29 171.60 2jwy n MET 10 N -3.04 1.32 -2.73 9.60 2.81 -1.26 -5.15 117.12 118.67 2jwy n MET 10 Ca 0.07 -1.99 -0.30 0.00 -1.81 0.00 0.00 57.70 53.67 2jwy n MET 10 Cb 0.56 0.55 -0.02 0.00 -0.71 0.00 0.00 33.22 33.60 2jwy n MET 10 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2jwy s LYS 11 N -2.98 3.72 0.02 0.03 -0.14 -1.26 -5.10 119.74 114.03 2jwy s LYS 11 Ca 0.00 0.45 0.03 0.00 -1.36 0.00 0.00 55.97 55.09 2jwy s LYS 11 Cb 0.00 -2.36 -0.01 0.00 -1.68 0.00 0.00 37.83 33.78 2jwy s LYS 11 CO 0.00 -0.11 -0.10 -1.01 -0.76 0.00 0.00 175.35 173.37 2jwy s HIS 12 N -2.51 0.87 0.69 3.18 3.76 -1.26 -5.17 115.29 114.86 2jwy s HIS 12 Ca 0.51 -0.27 -0.00 0.00 -0.15 0.00 0.00 55.06 55.14 2jwy s HIS 12 Cb -0.10 -0.54 0.11 0.00 1.11 0.00 0.00 32.58 33.16 2jwy s HIS 12 CO 0.36 -0.01 0.96 -1.54 -0.85 0.00 0.00 174.74 173.65 2jwy s SER 13 N -0.75 4.50 -0.26 1.40 1.04 -1.26 -5.06 113.70 113.31 2jwy s SER 13 Ca 0.00 -0.31 -0.24 0.00 0.48 0.00 0.00 55.95 55.88 2jwy s SER 13 Cb -0.06 -0.15 -0.00 0.00 0.10 0.00 0.00 66.02 65.91 2jwy s SER 13 CO 0.00 -1.74 0.81 0.54 0.98 0.00 0.00 173.24 173.83 2jwy s VAL 14 N -3.08 4.82 0.15 5.02 0.11 -1.26 -5.05 120.40 121.11 2jwy s VAL 14 Ca 0.65 1.44 -0.21 0.00 -2.93 0.00 0.00 61.98 60.93 2jwy s VAL 14 Cb -0.06 -4.12 -0.07 0.00 -1.53 0.00 0.00 36.38 30.59 2jwy s VAL 14 CO 0.43 -0.13 0.67 -0.94 -3.33 0.00 0.00 175.10 171.81 2jwy s SER 15 N 1.43 7.14 0.46 3.54 1.04 -1.26 -5.09 113.70 120.96 2jwy s SER 15 Ca 0.34 1.40 0.03 0.00 0.48 0.00 0.00 55.95 58.20 2jwy s SER 15 Cb -0.15 -2.41 -0.02 0.00 0.10 0.00 0.00 66.02 63.55 2jwy s SER 15 CO 0.09 0.18 0.09 0.42 0.98 0.00 0.00 173.24 175.00 2jwy s THR 16 N -1.26 0.74 -0.11 2.02 -4.23 -1.26 -5.09 115.64 106.44 2jwy s THR 16 Ca 0.35 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.57 2jwy s THR 16 Cb -0.19 -2.23 -0.05 0.00 1.34 0.00 0.00 72.50 71.37 2jwy s THR 16 CO 0.22 0.00 1.68 -0.76 -0.54 0.00 0.00 174.62 175.21 2jwy s LEU 17 N -3.72 4.15 0.24 4.79 1.43 -1.26 -4.74 118.68 119.57 2jwy s LEU 17 Ca 0.16 2.03 -0.12 0.00 -1.03 0.00 0.00 54.13 55.16 2jwy s LEU 17 Cb 0.01 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.63 2jwy s LEU 17 CO 0.10 -1.08 0.61 0.20 0.23 0.00 0.00 176.35 176.41 2jwy s ASN 18 N 3.89 6.73 0.00 2.29 0.02 -1.26 -5.10 114.94 121.51 2jwy s ASN 18 Ca 0.74 1.08 0.00 0.00 -1.02 0.00 0.00 52.86 53.66 2jwy s ASN 18 Cb -0.31 -2.29 0.00 0.00 0.02 0.00 0.00 41.25 38.67 2jwy s ASN 18 CO 0.30 -0.07 0.00 0.00 0.02 0.00 0.00 177.10 177.35 2jwy n GLN 19 N 0.02 1.95 -1.86 -0.60 6.02 -1.26 -4.98 117.38 116.68 2jwy n GLN 19 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 2jwy n GLN 19 Cb 0.52 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.73 2jwy n GLN 19 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2jwy s GLU 20 N 0.38 2.23 0.00 -1.09 0.41 -1.26 -4.89 118.70 114.48 2jwy s GLU 20 Ca 0.00 0.20 0.00 0.00 -0.41 0.00 0.00 54.97 54.76 2jwy s GLU 20 Cb 0.00 -4.85 0.00 0.00 -1.78 0.00 0.00 34.13 27.50 2jwy s GLU 20 CO 0.00 -3.61 0.00 -1.33 -0.49 0.00 0.00 175.26 169.83 2jwy n MET 21 N 8.90 1.38 -0.46 1.61 2.81 -1.26 -5.17 117.12 124.94 2jwy n MET 21 Ca 0.39 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 56.20 2jwy n MET 21 Cb 0.47 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 33.04 2jwy n MET 21 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2jwy n THR 22 N 0.00 0.00 -1.91 2.03 -2.24 -1.26 -4.98 114.28 105.92 2jwy n THR 22 Ca 0.00 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 2jwy n THR 22 Cb 0.00 -1.66 -0.03 0.00 -2.10 0.00 0.00 70.33 66.54 2jwy n THR 22 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2jwy s GLN 23 N -3.76 4.20 0.17 -0.78 -1.52 -1.26 -5.01 119.66 111.70 2jwy s GLN 23 Ca 0.20 2.36 0.03 0.00 -1.95 0.00 0.00 55.36 56.00 2jwy s GLN 23 Cb -0.01 -3.44 -0.05 0.00 -0.22 0.00 0.00 33.01 29.30 2jwy s GLN 23 CO 0.14 -0.70 -0.03 -1.17 -0.25 0.00 0.00 175.29 173.28 2jwy s LEU 24 N 2.11 2.28 -0.07 2.90 2.96 -1.26 -5.11 118.68 122.49 2jwy s LEU 24 Ca 0.73 -1.12 -0.37 0.00 -0.22 0.00 0.00 54.13 53.14 2jwy s LEU 24 Cb -0.42 -0.18 -0.15 0.00 0.50 0.00 0.00 46.19 45.94 2jwy s LEU 24 CO 0.32 -0.48 1.61 0.59 -1.32 0.00 0.00 176.35 177.06 2jwy n ASN 25 N -0.25 2.38 0.28 3.68 3.02 -1.26 -4.81 115.26 118.30 2jwy n ASN 25 Ca -0.08 1.08 0.19 0.00 -0.03 0.00 0.00 54.58 55.73 2jwy n ASN 25 Cb 0.62 -1.23 0.98 0.00 -0.61 0.00 0.00 39.78 39.55 2jwy n ASN 25 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2jwy h GLN 26 N 6.45 0.00 0.53 3.52 1.08 -1.99 -1.91 115.11 122.79 2jwy h GLN 26 Ca -0.47 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.71 2jwy h GLN 26 Cb 1.31 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.74 2jwy h GLN 26 CO 0.89 0.00 -0.32 1.49 -0.95 0.00 0.00 178.83 179.93 2jwy h GLU 27 N 0.00 -0.77 -0.04 1.46 4.81 -1.88 0.20 114.58 118.36 2jwy h GLU 27 Ca 0.00 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2jwy h GLU 27 Cb 0.04 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 2jwy h GLU 27 CO 0.00 -0.51 -0.04 1.15 -0.73 0.00 0.00 179.01 178.88 2jwy h THR 28 N -0.80 1.05 -0.16 0.32 2.02 -1.69 -0.27 112.91 113.38 2jwy h THR 28 Ca -0.07 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 2jwy h THR 28 Cb 0.64 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2jwy h THR 28 CO 0.08 0.07 0.03 0.58 0.37 0.00 0.00 175.52 176.64 2jwy h VAL 29 N 0.05 1.22 -0.01 3.16 2.07 -1.30 -2.19 116.25 119.25 2jwy h VAL 29 Ca 0.01 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 2jwy h VAL 29 Cb 0.10 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2jwy h VAL 29 CO 0.01 0.22 -0.22 0.11 0.02 0.00 0.00 177.57 177.70 2jwy h LYS 30 N 0.06 0.01 -0.14 1.57 6.56 0.22 0.63 116.57 125.48 2jwy h LYS 30 Ca 0.05 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.63 2jwy h LYS 30 Cb 0.31 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.96 2jwy h LYS 30 CO 0.00 0.23 0.07 0.82 -2.06 0.00 0.00 179.45 178.51 2jwy h ILE 31 N 0.01 1.13 -0.62 1.86 2.04 -0.89 0.31 117.51 121.36 2jwy h ILE 31 Ca -0.00 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.41 2jwy h ILE 31 Cb 0.40 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 2jwy h ILE 31 CO 0.03 0.12 0.14 0.74 0.00 0.00 0.00 178.15 179.18 2jwy h THR 32 N 0.10 1.25 -0.34 -0.27 2.02 -1.03 -2.44 112.91 112.19 2jwy h THR 32 Ca 0.05 -0.93 0.03 0.00 0.77 0.00 0.00 66.41 66.33 2jwy h THR 32 Cb 0.13 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 2jwy h THR 32 CO -0.01 0.35 0.13 -0.61 0.37 0.00 0.00 175.52 175.76 2jwy h GLN 33 N 0.91 0.28 -0.46 6.66 4.15 -0.73 -1.73 115.11 124.19 2jwy h GLN 33 Ca 0.19 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.66 2jwy h GLN 33 Cb 0.37 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.94 2jwy h GLN 33 CO 0.00 0.19 0.14 0.37 -1.93 0.00 0.00 178.83 177.60 2jwy h GLN 34 N 0.29 0.29 0.00 1.69 4.15 -0.20 0.87 115.11 122.20 2jwy h GLN 34 Ca 0.15 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 2jwy h GLN 34 Cb 0.10 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 2jwy h GLN 34 CO -0.14 0.19 -0.21 -0.91 -1.93 0.00 0.00 178.83 175.83 2jwy h ASN 35 N 0.30 0.00 0.38 -0.69 2.35 -1.17 0.19 115.58 116.95 2jwy h ASN 35 Ca 0.22 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.72 2jwy h ASN 35 Cb 0.24 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.62 2jwy h ASN 35 CO -0.25 0.21 -1.07 0.03 -1.65 0.00 0.00 177.43 174.71 2jwy h ARG 36 N 0.00 0.41 -0.39 0.81 3.08 -0.34 -2.42 114.38 115.53 2jwy h ARG 36 Ca -0.00 -0.51 -0.08 0.00 0.07 0.00 0.00 59.98 59.45 2jwy h ARG 36 Cb 0.45 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2jwy h ARG 36 CO 0.03 1.18 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.94 2jwy h LEU 37 N 0.20 0.65 -0.88 3.04 3.38 -0.32 -2.19 115.31 119.19 2jwy h LEU 37 Ca -0.11 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 57.74 2jwy h LEU 37 Cb 1.74 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 42.25 2jwy h LEU 37 CO 0.19 0.79 0.55 -1.13 0.09 0.00 0.00 178.44 178.93 2jwy h ASN 38 N 0.61 0.87 -0.18 -0.43 -0.73 -0.61 0.52 115.58 115.63 2jwy h ASN 38 Ca 0.11 0.02 -0.05 0.00 1.87 0.00 0.00 56.30 58.25 2jwy h ASN 38 Cb 0.54 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.94 2jwy h ASN 38 CO 0.03 0.55 -0.03 0.00 -0.37 0.00 0.00 177.43 177.62 2jwy h ALA 39 N 1.41 1.40 -0.00 1.57 0.00 -0.90 -2.66 119.26 120.08 2jwy h ALA 39 Ca 0.38 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2jwy h ALA 39 Cb 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jwy h ALA 39 CO -0.17 0.42 -0.35 1.63 0.00 0.00 0.00 179.25 180.77 2jwy n LYS 40 N -4.28 0.11 -1.84 0.00 5.02 -0.74 -4.92 118.16 111.51 2jwy n LYS 40 Ca 0.01 -0.06 -0.42 0.00 -2.02 0.00 0.00 58.31 55.82 2jwy n LYS 40 Cb 0.25 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 2jwy n LYS 40 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jwy s SER 41 N -2.92 6.54 -0.02 4.39 0.15 0.10 -4.89 113.70 117.05 2jwy s SER 41 Ca 0.14 2.54 0.11 0.00 0.70 0.00 0.00 55.95 59.44 2jwy s SER 41 Cb 0.18 -2.55 -0.23 0.00 -1.71 0.00 0.00 66.02 61.71 2jwy s SER 41 CO 0.64 -0.96 0.77 -1.28 1.20 0.00 0.00 173.24 173.61 2jwy h SER 42 N 9.11 0.00 -2.31 5.45 0.87 -1.90 -3.45 113.55 121.33 2jwy h SER 42 Ca -0.44 -0.01 -0.29 0.00 -1.23 0.00 0.00 61.79 59.82 2jwy h SER 42 Cb 1.21 -0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 62.83 2jwy h SER 42 CO 0.94 1.01 -0.60 -0.55 -0.53 0.00 0.00 176.83 177.09 2jwy s SER 43 N -6.20 1.29 0.00 6.23 0.15 -1.26 -5.11 113.70 108.79 2jwy s SER 43 Ca -0.04 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.31 2jwy s SER 43 Cb 0.08 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 2jwy s SER 43 CO 0.82 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 175.53 2jwy n GLY 44 N 5.32 0.49 3.09 9.45 0.00 -1.26 -4.60 105.19 117.69 2jwy n GLY 44 Ca -0.04 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 2jwy n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jwy s VAL 45 N 0.00 0.12 -0.46 1.61 -7.23 0.41 -4.87 120.40 109.98 2jwy s VAL 45 Ca 0.00 -1.03 -0.14 0.00 -1.81 0.00 0.00 61.98 59.00 2jwy s VAL 45 Cb 0.00 -0.75 0.07 0.00 0.56 0.00 0.00 36.38 36.26 2jwy s VAL 45 CO 0.00 -0.57 0.36 -0.31 -0.31 0.00 0.00 175.10 174.28 2jwy s TYR 46 N -2.29 3.26 -0.07 2.82 1.51 -1.26 -1.13 117.35 120.19 2jwy s TYR 46 Ca -0.08 -1.02 -0.13 0.00 -1.01 0.00 0.00 57.07 54.83 2jwy s TYR 46 Cb -0.03 -3.09 -0.05 0.00 -0.11 0.00 0.00 41.96 38.68 2jwy s TYR 46 CO -0.03 -0.79 0.33 -0.51 -1.11 0.00 0.00 175.55 173.44 2jwy s LEU 47 N 1.60 4.38 -0.14 -1.29 1.43 -0.06 -4.63 118.68 119.98 2jwy s LEU 47 Ca 0.04 0.74 -0.03 0.00 -1.03 0.00 0.00 54.13 53.85 2jwy s LEU 47 Cb -0.24 -2.44 -0.03 0.00 0.03 0.00 0.00 46.19 43.52 2jwy s LEU 47 CO 0.06 0.26 -0.05 -0.76 0.23 0.00 0.00 176.35 176.09 2jwy s LEU 48 N -0.54 3.18 0.51 1.79 1.43 -1.26 0.12 118.68 123.91 2jwy s LEU 48 Ca 0.20 -0.14 0.21 0.00 -1.03 0.00 0.00 54.13 53.37 2jwy s LEU 48 Cb -0.15 -1.75 1.32 0.00 0.03 0.00 0.00 46.19 45.64 2jwy s LEU 48 CO 0.09 0.19 2.09 1.55 0.23 0.00 0.00 176.35 180.50 2jwy h PRO 49 N 6.55 0.00 0.00 1.29 0.13 -1.86 -0.05 132.00 138.06 2jwy h PRO 49 Ca -0.32 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.75 2jwy h PRO 49 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2jwy h PRO 49 CO 0.61 0.10 -0.28 0.78 -0.23 0.00 0.00 178.00 178.98 2jwy h GLY 50 N 0.41 0.00 -7.13 1.56 0.00 -1.90 -3.37 103.07 92.64 2jwy h GLY 50 Ca -0.00 0.00 -0.79 0.00 0.00 0.00 0.00 47.33 46.54 2jwy h GLY 50 CO 0.01 0.00 0.58 0.00 0.00 0.00 0.00 176.54 177.14 2jwy n ALA 51 N -2.20 4.76 -1.36 3.60 0.00 -0.03 -4.62 120.51 120.66 2jwy n ALA 51 Ca 0.01 -4.75 -0.35 0.00 0.00 0.00 0.00 53.44 48.36 2jwy n ALA 51 Cb 0.55 -2.30 -0.08 0.00 0.00 0.00 0.00 19.45 17.61 2jwy n ALA 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2jwy n LYS 52 N 1.80 1.02 -3.79 0.00 4.81 -1.26 -4.56 118.16 116.18 2jwy n LYS 52 Ca 0.25 -1.85 -0.10 0.00 -0.87 0.00 0.00 58.31 55.75 2jwy n LYS 52 Cb 0.36 -3.24 -0.07 0.00 0.02 0.00 0.00 35.03 32.10 2jwy n LYS 52 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2jwy s THR 53 N 9.13 0.12 0.46 3.15 -4.23 -1.26 -4.97 115.64 118.04 2jwy s THR 53 Ca 0.67 -0.96 -0.21 0.00 -1.18 0.00 0.00 61.69 60.01 2jwy s THR 53 Cb 0.07 -1.24 -0.10 0.00 1.34 0.00 0.00 72.50 72.58 2jwy s THR 53 CO 0.18 -0.53 1.00 -2.16 -0.54 0.00 0.00 174.62 172.57 2jwy s PRO 54 N -3.66 3.99 0.03 3.99 0.04 -1.26 -4.10 135.00 134.03 2jwy s PRO 54 Ca 0.03 1.26 0.03 0.00 0.04 0.00 0.00 61.00 62.36 2jwy s PRO 54 Cb 0.03 -2.15 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 2jwy s PRO 54 CO -0.10 -0.25 -0.09 0.00 0.04 0.00 0.00 177.00 176.60 2jwy s ALA 55 N -2.05 0.71 0.08 8.56 0.00 0.56 -4.98 121.76 124.64 2jwy s ALA 55 Ca 0.65 -0.63 -0.27 0.00 0.00 0.00 0.00 51.96 51.71 2jwy s ALA 55 Cb -0.13 -0.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.86 2jwy s ALA 55 CO 0.17 0.09 0.86 0.50 0.00 0.00 0.00 175.76 177.38 2jwy s ARG 56 N -1.03 4.60 -0.05 0.00 3.52 -1.26 -1.44 118.95 123.29 2jwy s ARG 56 Ca -0.03 1.26 -0.04 0.00 -0.13 0.00 0.00 55.73 56.79 2jwy s ARG 56 Cb -0.07 -3.36 0.02 0.00 -1.56 0.00 0.00 34.95 29.98 2jwy s ARG 56 CO 0.00 0.27 0.13 -1.17 -0.81 0.00 0.00 175.30 173.73 2jwy s LEU 57 N -0.10 1.24 0.16 -0.88 2.96 -0.17 -4.95 118.68 116.94 2jwy s LEU 57 Ca 0.42 0.27 -0.19 0.00 -0.22 0.00 0.00 54.13 54.42 2jwy s LEU 57 Cb -0.22 0.41 -0.07 0.00 0.50 0.00 0.00 46.19 46.81 2jwy s LEU 57 CO 0.26 -0.08 0.65 -0.70 -1.32 0.00 0.00 176.35 175.16 2jwy s GLU 58 N 0.45 4.20 0.22 1.98 2.12 -1.26 -0.77 118.70 125.63 2jwy s GLU 58 Ca -0.03 0.77 -0.01 0.00 0.36 0.00 0.00 54.97 56.06 2jwy s GLU 58 Cb -0.05 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.29 2jwy s GLU 58 CO -0.02 0.49 0.16 -1.54 -0.54 0.00 0.00 175.26 173.81 2jwy s SER 59 N -1.49 0.30 0.00 -1.70 1.04 0.75 -4.84 113.70 107.75 2jwy s SER 59 Ca 0.38 -1.41 0.12 0.00 0.48 0.00 0.00 55.95 55.52 2jwy s SER 59 Cb -0.17 0.41 0.71 0.00 0.10 0.00 0.00 66.02 67.06 2jwy s SER 59 CO 0.21 -0.88 1.36 0.00 0.98 0.00 0.00 173.24 174.91 2jwy n GLN 60 N -0.31 0.88 -0.01 4.02 6.02 -0.75 -2.06 117.38 125.16 2jwy n GLN 60 Ca 0.02 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.04 2jwy n GLN 60 Cb 0.65 -1.21 -0.07 0.00 1.02 0.00 0.00 30.24 30.64 2jwy n GLN 60 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 2jwy n ILE 61 N -0.71 0.12 -2.61 5.09 -5.35 -1.26 -4.71 119.36 109.92 2jwy n ILE 61 Ca 0.09 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 2jwy n ILE 61 Cb 0.04 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 2jwy n ILE 61 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jwy n GLY 62 N 2.11 -0.02 3.78 3.28 0.00 -0.87 -5.06 105.19 108.41 2jwy n GLY 62 Ca -0.04 -1.39 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 2jwy n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwy s THR 63 N -2.98 5.10 0.33 2.61 2.01 -1.26 -0.18 115.64 121.28 2jwy s THR 63 Ca 0.00 0.87 0.02 0.00 0.31 0.00 0.00 61.69 62.88 2jwy s THR 63 Cb 0.00 -3.75 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 2jwy s THR 63 CO 0.00 0.47 0.38 -1.48 -0.69 0.00 0.00 174.62 173.30 2jwy s LEU 64 N -0.32 1.35 -0.22 4.42 0.05 0.05 -1.48 118.68 122.53 2jwy s LEU 64 Ca 0.24 -1.61 -0.03 0.00 0.05 0.00 0.00 54.13 52.78 2jwy s LEU 64 Cb -0.16 1.03 0.07 0.00 -2.05 0.00 0.00 46.19 45.08 2jwy s LEU 64 CO 0.12 -1.18 0.07 -0.60 -0.55 0.00 0.00 176.35 174.21 2jwy s ARG 65 N -3.26 0.45 0.50 1.48 3.52 0.13 -1.00 118.95 120.78 2jwy s ARG 65 Ca 0.35 -0.45 0.04 0.00 -0.13 0.00 0.00 55.73 55.54 2jwy s ARG 65 Cb 0.01 -1.88 0.03 0.00 -1.56 0.00 0.00 34.95 31.54 2jwy s ARG 65 CO 0.23 -0.76 0.69 -1.64 -0.81 0.00 0.00 175.30 173.02 2jwy s MET 66 N 1.93 2.64 -0.13 5.12 -1.94 -0.52 -0.46 119.30 125.94 2jwy s MET 66 Ca 0.03 -0.98 -0.30 0.00 -1.71 0.00 0.00 55.69 52.72 2jwy s MET 66 Cb -0.17 -2.60 0.12 0.00 2.01 0.00 0.00 34.83 34.20 2jwy s MET 66 CO -0.15 -0.55 0.99 -1.54 -0.01 0.00 0.00 175.02 173.77 2jwy s SER 67 N -4.40 -0.35 -0.31 3.03 1.04 -1.04 -0.32 113.70 111.35 2jwy s SER 67 Ca 0.57 0.29 -0.08 0.00 0.48 0.00 0.00 55.95 57.20 2jwy s SER 67 Cb -0.10 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2jwy s SER 67 CO 0.36 -0.39 0.12 -0.76 0.98 0.00 0.00 173.24 173.56 2jwy s LEU 68 N -1.46 4.03 0.24 2.42 1.43 -1.26 -2.17 118.68 121.90 2jwy s LEU 68 Ca 0.01 -0.65 0.05 0.00 -1.03 0.00 0.00 54.13 52.51 2jwy s LEU 68 Cb -0.01 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 2jwy s LEU 68 CO -0.01 -0.21 -0.05 0.68 0.23 0.00 0.00 176.35 176.99 2jwy s VAL 69 N 1.55 1.34 -1.34 -1.59 -7.23 -0.68 -4.45 120.40 107.99 2jwy s VAL 69 Ca 0.03 -2.09 -0.07 0.00 -1.81 0.00 0.00 61.98 58.04 2jwy s VAL 69 Cb -0.17 -2.29 0.02 0.00 0.56 0.00 0.00 36.38 34.49 2jwy s VAL 69 CO 0.04 -0.39 1.11 0.59 -0.31 0.00 0.00 175.10 176.14 2jwy n ASN 70 N -0.45 -5.12 -4.58 4.85 3.02 -1.26 -0.25 115.26 111.47 2jwy n ASN 70 Ca -0.06 -0.59 -0.43 0.00 -0.03 0.00 0.00 54.58 53.47 2jwy n ASN 70 Cb 0.63 -4.91 -0.03 0.00 -0.61 0.00 0.00 39.78 34.86 2jwy n ASN 70 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jwy s ILE 71 N -3.34 4.32 0.11 2.41 1.01 -1.26 -4.14 121.20 120.30 2jwy s ILE 71 Ca 0.45 0.96 0.05 0.00 0.00 0.00 0.00 60.65 62.11 2jwy s ILE 71 Cb -0.20 -4.54 -0.04 0.00 0.01 0.00 0.00 42.46 37.69 2jwy s ILE 71 CO 0.74 -0.96 -0.12 0.42 0.00 0.00 0.00 174.94 175.03 2jwy s THR 72 N 4.16 1.14 0.24 2.92 -4.23 0.08 -5.00 115.64 114.95 2jwy s THR 72 Ca 0.42 -1.69 -0.30 0.00 -1.18 0.00 0.00 61.69 58.95 2jwy s THR 72 Cb -0.09 -1.46 -0.09 0.00 1.34 0.00 0.00 72.50 72.21 2jwy s THR 72 CO 0.29 -0.50 1.28 -2.16 -0.54 0.00 0.00 174.62 173.00 2jwy s PRO 73 N -2.76 4.41 0.34 3.99 0.04 -1.26 -0.20 135.00 139.56 2jwy s PRO 73 Ca 0.07 2.06 0.09 0.00 0.04 0.00 0.00 61.00 63.27 2jwy s PRO 73 Cb -0.04 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 2jwy s PRO 73 CO 0.02 -0.18 0.03 0.34 0.04 0.00 0.00 177.00 177.24 2jwy s ASP 74 N -0.01 4.25 0.36 6.66 2.15 0.34 -4.73 116.67 125.69 2jwy s ASP 74 Ca 0.53 -0.96 0.04 0.00 0.43 0.00 0.00 52.55 52.60 2jwy s ASP 74 Cb -0.37 -0.56 0.71 0.00 -0.30 0.00 0.00 42.92 42.40 2jwy s ASP 74 CO 0.42 -0.24 2.00 0.00 -0.17 0.00 0.00 175.17 177.18 2jwy h ALA 75 N 1.77 1.64 0.00 3.66 0.00 -1.96 -2.85 119.26 121.52 2jwy h ALA 75 Ca -0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2jwy h ALA 75 Cb 1.25 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2jwy h ALA 75 CO 0.66 0.30 -1.72 -0.25 0.00 0.00 0.00 179.25 178.25 2jwy n ASP 76 N -4.46 0.40 0.00 0.00 9.92 -1.26 -5.05 116.55 116.09 2jwy n ASP 76 Ca 0.08 -0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 2jwy n ASP 76 Cb 0.12 1.73 0.00 0.00 -0.64 0.00 0.00 41.12 42.33 2jwy n ASP 76 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jwy n GLY 77 N 1.35 -1.54 3.17 0.44 0.00 -1.08 -0.37 105.19 107.17 2jwy n GLY 77 Ca -0.02 0.76 -0.11 0.00 0.00 0.00 0.00 46.02 46.65 2jwy n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jwy s THR 78 N 1.30 -0.26 -0.23 2.61 2.01 0.51 -0.51 115.64 121.07 2jwy s THR 78 Ca 0.00 0.16 -0.09 0.00 0.31 0.00 0.00 61.69 62.07 2jwy s THR 78 Cb 0.00 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 2jwy s THR 78 CO 0.00 0.07 0.13 0.42 -0.69 0.00 0.00 174.62 174.55 2jwy s THR 79 N 1.88 5.08 0.32 -0.82 -4.23 0.73 -0.34 115.64 118.26 2jwy s THR 79 Ca -0.05 0.08 0.06 0.00 -1.18 0.00 0.00 61.69 60.59 2jwy s THR 79 Cb -0.10 -3.36 -0.03 0.00 1.34 0.00 0.00 72.50 70.34 2jwy s THR 79 CO -0.11 0.36 0.23 -1.48 -0.54 0.00 0.00 174.62 173.08 2jwy s LEU 80 N 1.08 1.71 -0.12 4.79 0.05 -0.21 -0.74 118.68 125.24 2jwy s LEU 80 Ca 0.06 -1.69 0.03 0.00 0.05 0.00 0.00 54.13 52.58 2jwy s LEU 80 Cb -0.14 0.41 0.01 0.00 -2.05 0.00 0.00 46.19 44.42 2jwy s LEU 80 CO 0.04 -1.01 -0.19 -0.89 -0.55 0.00 0.00 176.35 173.75 2jwy s THR 81 N -3.51 1.79 -0.36 5.48 2.01 0.65 -0.09 115.64 121.61 2jwy s THR 81 Ca 0.38 -0.83 -0.16 0.00 0.31 0.00 0.00 61.69 61.39 2jwy s THR 81 Cb 0.03 -1.59 -0.00 0.00 0.01 0.00 0.00 72.50 70.94 2jwy s THR 81 CO 0.23 0.50 0.40 -0.22 -0.69 0.00 0.00 174.62 174.84 2jwy s LEU 82 N 0.77 4.53 -0.38 4.42 1.98 -0.25 -1.69 118.68 128.06 2jwy s LEU 82 Ca -0.10 -0.31 -0.11 0.00 -2.89 0.00 0.00 54.13 50.72 2jwy s LEU 82 Cb -0.16 -2.38 0.03 0.00 0.66 0.00 0.00 46.19 44.34 2jwy s LEU 82 CO 0.01 -0.41 0.21 -0.13 -1.89 0.00 0.00 176.35 174.13 2jwy s ARG 83 N 2.09 2.81 -0.36 1.98 0.52 -0.92 -1.22 118.95 123.85 2jwy s ARG 83 Ca 0.13 -1.09 -0.12 0.00 -0.52 0.00 0.00 55.73 54.13 2jwy s ARG 83 Cb -0.17 -3.73 0.01 0.00 0.52 0.00 0.00 34.95 31.58 2jwy s ARG 83 CO 0.12 -0.71 0.22 0.42 0.02 0.00 0.00 175.30 175.38 2jwy s ILE 84 N 1.55 4.85 -0.06 1.52 1.09 0.08 -2.49 121.20 127.73 2jwy s ILE 84 Ca 0.02 -0.60 -0.07 0.00 -1.10 0.00 0.00 60.65 58.89 2jwy s ILE 84 Cb -0.19 -3.61 -0.04 0.00 -1.06 0.00 0.00 42.46 37.55 2jwy s ILE 84 CO 0.07 -0.14 0.21 -1.58 -0.10 0.00 0.00 174.94 173.40 2jwy s GLN 85 N 1.62 3.54 0.27 2.79 0.74 0.39 -0.16 119.66 128.85 2jwy s GLN 85 Ca 0.04 -0.07 -0.23 0.00 0.05 0.00 0.00 55.36 55.15 2jwy s GLN 85 Cb -0.18 -3.16 -0.09 0.00 1.10 0.00 0.00 33.01 30.68 2jwy s GLN 85 CO 0.08 0.72 0.84 0.20 -0.55 0.00 0.00 175.29 176.59 2jwy s GLY 86 N -1.30 2.74 0.22 2.59 0.00 -0.52 0.22 107.32 111.27 2jwy s GLY 86 Ca 0.21 0.37 -0.08 0.00 0.00 0.00 0.00 44.72 45.21 2jwy s GLY 86 CO 0.10 0.78 1.82 -2.09 0.00 0.00 0.00 173.10 173.71 2jwy h GLU 87 N 3.37 1.17 0.00 2.90 4.22 -1.60 -3.45 114.58 121.19 2jwy h GLU 87 Ca -0.47 -0.16 -0.38 0.00 0.08 0.00 0.00 59.36 58.43 2jwy h GLU 87 Cb 1.19 -0.22 0.04 0.00 0.50 0.00 0.00 28.75 30.27 2jwy h GLU 87 CO 0.65 0.88 0.01 -1.13 -2.18 0.00 0.00 179.01 177.24 2jwy n SER 88 N -4.36 1.41 -0.81 1.04 3.41 -1.26 -5.01 113.62 108.04 2jwy n SER 88 Ca 0.08 -2.08 0.09 0.00 -0.26 0.00 0.00 58.87 56.70 2jwy n SER 88 Cb 0.12 -0.41 0.27 0.00 -0.26 0.00 0.00 64.21 63.93 2jwy n SER 88 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2jwy n ASN 89 N -2.67 2.38 -4.74 4.04 3.02 -1.26 -4.78 115.26 111.26 2jwy n ASN 89 Ca 0.13 -1.89 -0.41 0.00 -0.03 0.00 0.00 54.58 52.38 2jwy n ASN 89 Cb 0.47 -0.22 -0.04 0.00 -0.61 0.00 0.00 39.78 39.38 2jwy n ASN 89 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2jwy s ASP 90 N -1.31 7.31 -0.66 6.41 1.01 -1.26 -4.70 116.67 123.48 2jwy s ASP 90 Ca 0.33 2.02 -0.26 0.00 0.71 0.00 0.00 52.55 55.36 2jwy s ASP 90 Cb 0.18 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.46 2jwy s ASP 90 CO 0.25 -0.19 2.10 -2.16 0.21 0.00 0.00 175.17 175.37 2jwy s PRO 91 N -0.24 2.33 0.41 8.23 0.04 -1.26 -4.51 135.00 140.00 2jwy s PRO 91 Ca 0.49 0.62 -0.27 0.00 0.04 0.00 0.00 61.00 61.89 2jwy s PRO 91 Cb -0.28 -4.63 -0.10 0.00 0.04 0.00 0.00 34.50 29.53 2jwy s PRO 91 CO 0.34 -3.24 1.46 1.28 0.04 0.00 0.00 177.00 176.88 2jwy n LEU 92 N 14.64 4.94 -4.70 -3.56 4.77 -1.26 -4.61 117.00 127.22 2jwy n LEU 92 Ca 0.32 1.18 -0.30 0.00 -0.03 0.00 0.00 56.01 57.18 2jwy n LEU 92 Cb 0.51 -1.61 0.22 0.00 -2.33 0.00 0.00 43.42 40.20 2jwy n LEU 92 CO 0.67 0.01 0.70 -2.16 -1.33 0.00 0.00 177.39 175.28 2jwy s PRO 93 N -2.27 -0.57 0.18 3.23 0.04 -1.26 -1.04 135.00 133.31 2jwy s PRO 93 Ca 0.57 -0.16 -0.30 0.00 0.04 0.00 0.00 61.00 61.15 2jwy s PRO 93 Cb -0.46 -1.68 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 2jwy s PRO 93 CO 0.61 -3.26 1.25 0.00 0.04 0.00 0.00 177.00 175.64 2jwy s ALA 94 N -3.29 3.48 0.08 8.56 0.00 -1.26 -4.62 121.76 124.72 2jwy s ALA 94 Ca 0.72 1.02 -0.05 0.00 0.00 0.00 0.00 51.96 53.65 2jwy s ALA 94 Cb -0.08 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 2jwy s ALA 94 CO 0.55 -0.46 0.10 -0.59 0.00 0.00 0.00 175.76 175.36 2jwy s PHE 95 N 0.10 0.38 0.20 0.00 -0.71 -0.94 -1.38 117.98 115.63 2jwy s PHE 95 Ca 0.55 -0.85 -0.00 0.00 -1.04 0.00 0.00 56.93 55.59 2jwy s PHE 95 Cb -0.34 -0.23 -0.04 0.00 -1.21 0.00 0.00 43.02 41.20 2jwy s PHE 95 CO 0.37 -0.49 0.10 -1.54 -1.34 0.00 0.00 175.22 172.32 2jwy s SER 96 N -2.91 0.43 0.14 1.98 1.04 0.12 -0.44 113.70 114.06 2jwy s SER 96 Ca 0.09 -1.34 -0.25 0.00 0.48 0.00 0.00 55.95 54.92 2jwy s SER 96 Cb 0.06 0.31 0.07 0.00 0.10 0.00 0.00 66.02 66.56 2jwy s SER 96 CO -0.08 -0.78 0.82 -0.83 0.98 0.00 0.00 173.24 173.34 2jwy s GLY 97 N -3.17 -0.35 -0.44 7.32 0.00 -0.41 -0.79 107.32 109.48 2jwy s GLY 97 Ca 0.35 0.36 -0.16 0.00 0.00 0.00 0.00 44.72 45.27 2jwy s GLY 97 CO 0.10 0.11 0.39 -1.59 0.00 0.00 0.00 173.10 172.10 2jwy s THR 98 N -3.45 5.19 -0.39 0.90 2.01 0.11 -1.03 115.64 118.98 2jwy s THR 98 Ca 0.08 -0.75 -0.22 0.00 0.31 0.00 0.00 61.69 61.12 2jwy s THR 98 Cb -0.02 -4.05 0.01 0.00 0.01 0.00 0.00 72.50 68.45 2jwy s THR 98 CO -0.03 -0.47 0.70 0.54 -0.69 0.00 0.00 174.62 174.67 2jwy s VAL 99 N 1.82 4.80 -0.47 3.82 0.11 0.12 -2.59 120.40 128.01 2jwy s VAL 99 Ca 0.07 0.54 -0.13 0.00 -2.93 0.00 0.00 61.98 59.52 2jwy s VAL 99 Cb -0.21 -4.17 0.09 0.00 -1.53 0.00 0.00 36.38 30.56 2jwy s VAL 99 CO 0.09 -0.46 0.37 -1.61 -3.33 0.00 0.00 175.10 170.16 2jwy s GLU 100 N 2.92 2.82 -0.11 1.54 2.02 0.20 -0.36 118.70 127.73 2jwy s GLU 100 Ca 0.27 -1.49 -0.04 0.00 0.02 0.00 0.00 54.97 53.72 2jwy s GLU 100 Cb -0.14 -4.04 -0.04 0.00 0.10 0.00 0.00 34.13 30.01 2jwy s GLU 100 CO 0.17 -1.08 0.05 1.52 0.02 0.00 0.00 175.26 175.95 2jwy s TYR 101 N 1.54 3.31 0.00 1.61 1.13 0.22 -0.59 117.35 124.57 2jwy s TYR 101 Ca 0.04 0.26 0.00 0.00 -1.41 0.00 0.00 57.07 55.96 2jwy s TYR 101 Cb -0.25 -1.89 0.00 0.00 -1.10 0.00 0.00 41.96 38.72 2jwy s TYR 101 CO 0.04 0.49 0.00 0.41 -2.51 0.00 0.00 175.55 173.97 2jwy n GLY 102 N 2.37 2.35 3.31 5.49 0.00 -0.69 -0.36 105.19 117.65 2jwy n GLY 102 Ca -0.19 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 2jwy n GLY 102 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jwy s GLN 103 N 3.35 1.23 -0.02 1.61 -0.21 0.47 -0.56 119.66 125.54 2jwy s GLN 103 Ca 0.00 -1.56 0.07 0.00 0.02 0.00 0.00 55.36 53.89 2jwy s GLN 103 Cb 0.00 -0.82 -0.02 0.00 1.00 0.00 0.00 33.01 33.17 2jwy s GLN 103 CO 0.00 0.08 -0.23 0.42 -2.12 0.00 0.00 175.29 173.44 2jwy s ILE 104 N -3.21 1.81 -0.27 1.08 1.01 -1.26 -0.40 121.20 119.96 2jwy s ILE 104 Ca 0.22 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 2jwy s ILE 104 Cb 0.02 -1.51 0.09 0.00 0.01 0.00 0.00 42.46 41.07 2jwy s ILE 104 CO 0.05 0.51 0.07 0.00 0.00 0.00 0.00 174.94 175.56 2jwy s GLN 105 N -0.55 0.78 0.00 2.79 -2.07 -0.42 -4.96 119.66 115.22 2jwy s GLN 105 Ca 0.09 -0.90 0.00 0.00 -1.82 0.00 0.00 55.36 52.73 2jwy s GLN 105 Cb -0.09 -2.07 0.00 0.00 -1.09 0.00 0.00 33.01 29.76 2jwy s GLN 105 CO -0.01 -0.86 0.00 0.41 -1.32 0.00 0.00 175.29 173.51 2jwy n GLY 106 N 4.88 -0.32 0.28 2.60 0.00 -1.26 -1.23 105.19 110.15 2jwy n GLY 106 Ca -0.05 -1.16 -0.01 0.00 0.00 0.00 0.00 46.02 44.79 2jwy n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jwy n THR 107 N 9.00 0.00 0.50 2.61 -2.24 0.42 -4.86 114.28 119.71 2jwy n THR 107 Ca 0.00 -0.14 0.13 0.00 -2.27 0.00 0.00 64.05 61.77 2jwy n THR 107 Cb 0.00 -1.02 0.43 0.00 -2.10 0.00 0.00 70.33 67.64 2jwy n THR 107 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2jwy h ILE 108 N -0.06 0.00 0.00 2.28 1.08 -2.01 -3.31 117.51 115.50 2jwy h ILE 108 Ca -0.02 -0.44 -0.32 0.00 -0.39 0.00 0.00 64.86 63.69 2jwy h ILE 108 Cb 0.09 1.35 -0.05 0.00 -3.07 0.00 0.00 36.82 35.14 2jwy h ILE 108 CO 0.03 0.00 -2.13 0.47 -0.69 0.00 0.00 178.15 175.83 2jwy n ASP 109 N -2.36 1.88 -4.04 1.72 8.00 -1.26 -4.87 116.55 115.62 2jwy n ASP 109 Ca 0.04 0.11 -0.34 0.00 0.71 0.00 0.00 54.79 55.31 2jwy n ASP 109 Cb 0.36 -0.48 -0.12 0.00 -0.02 0.00 0.00 41.12 40.86 2jwy n ASP 109 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2jwy s ASN 110 N -6.45 4.87 -0.06 -2.24 4.22 -1.25 -5.07 114.94 108.95 2jwy s ASN 110 Ca -0.28 -2.71 0.03 0.00 -2.14 0.00 0.00 52.86 47.77 2jwy s ASN 110 Cb 0.09 -1.75 0.01 0.00 1.28 0.00 0.00 41.25 40.88 2jwy s ASN 110 CO 0.40 -0.35 -0.15 0.72 -2.04 0.00 0.00 177.10 175.68 2jwy s PHE 111 N 0.15 1.60 -0.22 1.54 -0.71 -1.25 -0.44 117.98 118.65 2jwy s PHE 111 Ca 0.15 -0.54 -0.14 0.00 -1.04 0.00 0.00 56.93 55.36 2jwy s PHE 111 Cb -0.22 -1.12 -0.04 0.00 -1.21 0.00 0.00 43.02 40.42 2jwy s PHE 111 CO -0.03 -0.24 0.31 -0.65 -1.34 0.00 0.00 175.22 173.27 2jwy s GLN 112 N 0.39 4.12 -0.73 1.99 -0.21 -0.37 -4.91 119.66 119.94 2jwy s GLN 112 Ca -0.11 0.02 -0.22 0.00 0.02 0.00 0.00 55.36 55.07 2jwy s GLN 112 Cb -0.14 -3.55 0.08 0.00 1.00 0.00 0.00 33.01 30.40 2jwy s GLN 112 CO 0.03 -0.04 1.02 -1.21 -2.12 0.00 0.00 175.29 172.98 2jwy s GLU 113 N 1.33 3.22 0.29 2.91 2.02 -1.26 -1.30 118.70 125.91 2jwy s GLU 113 Ca 0.14 -1.00 0.07 0.00 0.02 0.00 0.00 54.97 54.20 2jwy s GLU 113 Cb -0.14 -4.40 -0.03 0.00 0.10 0.00 0.00 34.13 29.66 2jwy s GLU 113 CO 0.07 -1.83 0.31 0.96 0.02 0.00 0.00 175.26 174.79 2jwy s ILE 114 N 3.89 4.29 -1.47 -1.63 -4.36 0.47 -4.53 121.20 117.85 2jwy s ILE 114 Ca 0.25 -1.22 0.00 0.00 -0.26 0.00 0.00 60.65 59.42 2jwy s ILE 114 Cb -0.14 -3.44 0.00 0.00 1.25 0.00 0.00 42.46 40.13 2jwy s ILE 114 CO 0.06 -0.26 0.00 0.59 0.24 0.00 0.00 174.94 175.57 2jwy n ASN 115 N -1.38 -3.94 -4.72 4.36 3.02 -1.26 -0.40 115.26 110.95 2jwy n ASN 115 Ca -0.05 0.31 -0.41 0.00 -0.03 0.00 0.00 54.58 54.40 2jwy n ASN 115 Cb 0.58 -3.56 -0.04 0.00 -0.61 0.00 0.00 39.78 36.15 2jwy n ASN 115 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jwy s VAL 116 N -2.33 4.75 0.05 2.41 0.11 -1.26 -4.40 120.40 119.72 2jwy s VAL 116 Ca 0.00 2.01 0.06 0.00 -2.93 0.00 0.00 61.98 61.12 2jwy s VAL 116 Cb 0.00 -4.30 -0.02 0.00 -1.53 0.00 0.00 36.38 30.53 2jwy s VAL 116 CO 0.00 0.23 -0.17 -1.10 -3.33 0.00 0.00 175.10 170.73 2jwy s GLN 117 N 0.61 1.06 -0.03 1.54 -0.21 0.51 -4.91 119.66 118.23 2jwy s GLN 117 Ca 0.49 -0.87 -0.07 0.00 0.02 0.00 0.00 55.36 54.93 2jwy s GLN 117 Cb -0.22 -1.13 -0.05 0.00 1.00 0.00 0.00 33.01 32.62 2jwy s GLN 117 CO 0.28 0.28 0.24 0.54 -2.12 0.00 0.00 175.29 174.50 2jwy s ASN 118 N -1.29 6.48 0.01 5.90 2.20 -1.26 -0.61 114.94 126.37 2jwy s ASN 118 Ca 0.03 0.55 -0.03 0.00 -0.94 0.00 0.00 52.86 52.47 2jwy s ASN 118 Cb -0.09 -2.09 -0.01 0.00 -2.00 0.00 0.00 41.25 37.07 2jwy s ASN 118 CO 0.02 0.30 0.05 -1.58 -2.94 0.00 0.00 177.10 172.95 2jwy s GLN 119 N -1.52 0.38 -0.35 3.55 0.74 0.52 -4.97 119.66 118.00 2jwy s GLN 119 Ca 0.24 -0.48 -0.13 0.00 0.05 0.00 0.00 55.36 55.04 2jwy s GLN 119 Cb -0.13 0.15 -0.01 0.00 1.10 0.00 0.00 33.01 34.12 2jwy s GLN 119 CO 0.13 -0.08 0.25 -0.51 -0.55 0.00 0.00 175.29 174.53 2jwy s LEU 120 N -1.35 4.61 -0.26 3.68 1.43 -1.26 0.10 118.68 125.63 2jwy s LEU 120 Ca -0.15 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 2jwy s LEU 120 Cb -0.08 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 2jwy s LEU 120 CO 0.00 -0.27 0.22 0.27 0.23 0.00 0.00 176.35 176.80 2jwy s ILE 121 N 1.71 5.30 -0.09 -0.59 -4.36 -0.20 -4.95 121.20 118.02 2jwy s ILE 121 Ca 0.06 0.27 0.01 0.00 -0.26 0.00 0.00 60.65 60.74 2jwy s ILE 121 Cb -0.18 -3.56 -0.02 0.00 1.25 0.00 0.00 42.46 39.95 2jwy s ILE 121 CO 0.10 0.27 -0.12 0.20 0.24 0.00 0.00 174.94 175.62 2jwy s ASN 122 N 1.47 4.13 -0.02 4.36 -0.87 -1.26 -1.29 114.94 121.46 2jwy s ASN 122 Ca 0.09 -0.22 0.06 0.00 -1.57 0.00 0.00 52.86 51.22 2jwy s ASN 122 Cb -0.15 -1.22 -0.02 0.00 -0.02 0.00 0.00 41.25 39.84 2jwy s ASN 122 CO 0.09 0.27 -0.21 0.00 -2.57 0.00 0.00 177.10 174.68 2jwy s ALA 123 N -0.27 1.72 0.92 0.60 0.00 0.42 -5.00 121.76 120.14 2jwy s ALA 123 Ca 0.02 -0.89 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 2jwy s ALA 123 Cb -0.13 -0.44 0.14 0.00 0.00 0.00 0.00 23.12 22.70 2jwy s ALA 123 CO 0.03 0.42 1.13 -1.25 0.00 0.00 0.00 175.76 176.09 2jwy s PRO 124 N -0.50 1.07 0.07 0.00 0.04 -1.26 -2.20 135.00 132.23 2jwy s PRO 124 Ca 0.08 0.34 -0.27 0.00 0.04 0.00 0.00 61.00 61.20 2jwy s PRO 124 Cb -0.08 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 2jwy s PRO 124 CO -0.01 -2.25 0.83 0.00 0.04 0.00 0.00 177.00 175.61 2jwy s ALA 125 N -3.22 3.33 -0.10 8.56 0.00 -1.26 -4.14 121.76 124.92 2jwy s ALA 125 Ca 0.64 0.38 -0.30 0.00 0.00 0.00 0.00 51.96 52.69 2jwy s ALA 125 Cb -0.15 -3.09 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 2jwy s ALA 125 CO 0.54 0.04 1.13 -1.12 0.00 0.00 0.00 175.76 176.35 2jwy s SER 126 N -0.08 7.11 -0.05 0.00 0.01 -0.21 -4.88 113.70 115.60 2jwy s SER 126 Ca 0.41 1.66 -0.16 0.00 1.31 0.00 0.00 55.95 59.17 2jwy s SER 126 Cb -0.22 -2.55 -0.31 0.00 0.21 0.00 0.00 66.02 63.16 2jwy s SER 126 CO 0.25 -0.57 0.74 0.58 0.41 0.00 0.00 173.24 174.66 2jwy h VAL 127 N 5.15 1.18 -2.35 3.43 2.07 -1.89 -3.42 116.25 120.41 2jwy h VAL 127 Ca -0.30 -2.51 -0.53 0.00 0.82 0.00 0.00 66.70 64.17 2jwy h VAL 127 Cb 1.14 2.91 -0.13 0.00 -1.52 0.00 0.00 31.29 33.68 2jwy h VAL 127 CO 0.89 0.76 -0.59 -0.76 0.02 0.00 0.00 177.57 177.89 2jwy s LEU 128 N -7.59 2.33 0.22 2.57 1.43 -1.26 -4.93 118.68 111.45 2jwy s LEU 128 Ca -0.16 -1.43 0.06 0.00 -1.03 0.00 0.00 54.13 51.57 2jwy s LEU 128 Cb 0.04 -0.50 -0.03 0.00 0.03 0.00 0.00 46.19 45.72 2jwy s LEU 128 CO 0.83 -0.63 0.26 0.00 0.23 0.00 0.00 176.35 177.04 2jwy s ALA 129 N -3.12 3.75 0.51 4.21 0.00 -1.26 -4.48 121.76 121.37 2jwy s ALA 129 Ca 0.32 -1.28 -0.06 0.00 0.00 0.00 0.00 51.96 50.94 2jwy s ALA 129 Cb 0.08 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 2jwy s ALA 129 CO 0.15 0.31 0.83 -1.25 0.00 0.00 0.00 175.76 175.80 2jwy s PRO 130 N -3.73 3.53 -1.26 0.00 0.04 -1.26 -5.08 135.00 127.24 2jwy s PRO 130 Ca 0.33 0.29 -0.14 0.00 0.04 0.00 0.00 61.00 61.52 2jwy s PRO 130 Cb -0.09 -2.32 0.13 0.00 0.04 0.00 0.00 34.50 32.26 2jwy s PRO 130 CO 0.27 -0.28 1.64 0.43 0.04 0.00 0.00 177.00 179.09 2jwy n SER 131 N -2.36 5.03 -4.32 6.66 7.64 -1.26 -4.86 113.62 120.16 2jwy n SER 131 Ca 0.02 -2.97 -0.45 0.00 1.01 0.00 0.00 58.87 56.48 2jwy n SER 131 Cb 0.55 -1.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 2jwy n SER 131 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jwy n ASP 132 N 6.24 5.58 -4.55 6.43 9.92 -1.26 -1.44 116.55 137.47 2jwy n ASP 132 Ca 0.42 -3.06 -0.40 0.00 -0.53 0.00 0.00 54.79 51.22 2jwy n ASP 132 Cb 0.43 -1.38 -0.03 0.00 -0.64 0.00 0.00 41.12 39.50 2jwy n ASP 132 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2jwy s VAL 133 N -1.33 3.60 -0.50 2.53 1.01 0.77 -4.80 120.40 121.70 2jwy s VAL 133 Ca 0.31 0.32 -0.21 0.00 0.00 0.00 0.00 61.98 62.40 2jwy s VAL 133 Cb -0.09 -4.60 0.04 0.00 0.00 0.00 0.00 36.38 31.73 2jwy s VAL 133 CO -0.07 -1.55 0.72 1.51 0.00 0.00 0.00 175.10 175.71 2jwy s ASP 134 N 5.18 6.29 -0.12 3.32 -4.77 -1.26 -0.74 116.67 124.57 2jwy s ASP 134 Ca 0.46 -0.59 0.00 0.00 -3.30 0.00 0.00 52.55 49.12 2jwy s ASP 134 Cb -0.09 -2.34 -0.02 0.00 -1.09 0.00 0.00 42.92 39.38 2jwy s ASP 134 CO 0.16 -0.96 -0.13 0.27 0.70 0.00 0.00 175.17 175.21 2jwy s ILE 135 N 3.06 3.05 0.28 2.11 -4.36 -0.36 -4.96 121.20 120.04 2jwy s ILE 135 Ca 0.22 -0.67 -0.30 0.00 -0.26 0.00 0.00 60.65 59.64 2jwy s ILE 135 Cb -0.16 -2.27 -0.11 0.00 1.25 0.00 0.00 42.46 41.18 2jwy s ILE 135 CO 0.16 0.53 1.52 -2.84 0.24 0.00 0.00 174.94 174.55 2jwy s PRO 136 N 0.18 4.18 -0.17 0.37 0.02 -1.26 -1.09 135.00 137.24 2jwy s PRO 136 Ca -0.08 2.46 -0.02 0.00 0.02 0.00 0.00 61.00 63.39 2jwy s PRO 136 Cb -0.15 -3.05 0.05 0.00 0.02 0.00 0.00 34.50 31.37 2jwy s PRO 136 CO 0.05 -0.53 -0.00 -1.17 -0.33 0.00 0.00 177.00 175.02 2jwy s LEU 137 N -0.64 1.31 -0.41 -5.54 0.20 0.87 -4.89 118.68 109.58 2jwy s LEU 137 Ca 0.60 -0.67 -0.15 0.00 0.69 0.00 0.00 54.13 54.60 2jwy s LEU 137 Cb -0.45 -0.71 0.02 0.00 -0.43 0.00 0.00 46.19 44.62 2jwy s LEU 137 CO 0.48 -0.24 0.32 -1.58 -0.29 0.00 0.00 176.35 175.03 2jwy s GLN 138 N 1.78 2.98 0.09 1.98 0.74 -1.26 -1.05 119.66 124.92 2jwy s GLN 138 Ca 0.00 -1.01 -0.20 0.00 0.05 0.00 0.00 55.36 54.21 2jwy s GLN 138 Cb -0.16 -3.99 -0.07 0.00 1.10 0.00 0.00 33.01 29.90 2jwy s GLN 138 CO -0.07 -0.78 0.60 -0.51 -0.55 0.00 0.00 175.29 173.98 2jwy s LEU 139 N 1.73 4.54 0.08 3.68 1.43 0.54 -4.97 118.68 125.71 2jwy s LEU 139 Ca 0.06 1.31 0.06 0.00 -1.03 0.00 0.00 54.13 54.53 2jwy s LEU 139 Cb -0.19 -2.96 -0.03 0.00 0.03 0.00 0.00 46.19 43.04 2jwy s LEU 139 CO 0.10 0.26 -0.15 -0.54 0.23 0.00 0.00 176.35 176.25 2jwy s LYS 140 N -1.13 0.91 -0.36 1.70 1.02 -1.26 -0.36 119.74 120.26 2jwy s LYS 140 Ca 0.30 -1.04 -0.00 0.00 0.02 0.00 0.00 55.97 55.25 2jwy s LYS 140 Cb -0.20 -0.95 0.00 0.00 -0.52 0.00 0.00 37.83 36.16 2jwy s LYS 140 CO 0.20 0.21 0.03 0.41 -0.92 0.00 0.00 175.35 175.28 2jwy n GLY 141 N 1.13 0.24 3.55 -3.33 0.00 0.50 -4.90 105.19 102.38 2jwy n GLY 141 Ca -0.20 -0.68 -0.01 0.00 0.00 0.00 0.00 46.02 45.13 2jwy n GLY 141 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jwy s ILE 142 N -2.31 -0.26 0.27 -0.61 2.07 -1.26 -5.06 121.20 114.03 2jwy s ILE 142 Ca 0.01 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 59.04 2jwy s ILE 142 Cb -0.01 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.49 2jwy s ILE 142 CO 0.02 0.00 0.81 -0.44 -1.91 0.00 0.00 174.94 173.42 2jwy s SER 143 N 1.89 7.15 0.24 4.50 0.01 -1.26 -3.28 113.70 122.95 2jwy s SER 143 Ca -0.06 1.57 -0.05 0.00 1.31 0.00 0.00 55.95 58.72 2jwy s SER 143 Cb -0.05 -2.48 0.45 0.00 0.21 0.00 0.00 66.02 64.15 2jwy s SER 143 CO -0.16 -0.02 1.72 1.62 0.41 0.00 0.00 173.24 176.81 2jwy h VAL 144 N 2.66 0.63 -0.87 3.43 3.04 -1.91 0.34 116.25 123.56 2jwy h VAL 144 Ca -0.47 -0.14 0.01 0.00 -1.01 0.00 0.00 66.70 65.09 2jwy h VAL 144 Cb 1.19 0.20 -0.04 0.00 -2.01 0.00 0.00 31.29 30.62 2jwy h VAL 144 CO 0.65 0.07 0.57 -0.78 -1.01 0.00 0.00 177.57 177.08 2jwy h ASP 145 N 0.40 0.98 -0.32 3.17 3.58 -1.98 -2.47 116.42 119.79 2jwy h ASP 145 Ca 0.41 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.84 2jwy h ASP 145 Cb 0.64 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2jwy h ASP 145 CO -0.42 0.70 0.00 0.00 -2.88 0.00 0.00 179.24 176.64 2jwy n GLN 146 N -4.41 2.05 -2.17 0.28 1.13 -0.07 -4.92 117.38 109.27 2jwy n GLN 146 Ca 0.10 -1.60 -0.42 0.00 -1.94 0.00 0.00 57.00 53.14 2jwy n GLN 146 Cb 0.04 -1.42 -0.03 0.00 0.11 0.00 0.00 30.24 28.94 2jwy n GLN 146 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2jwy s LEU 147 N -1.38 4.32 -0.13 1.08 0.20 -0.19 -4.82 118.68 117.76 2jwy s LEU 147 Ca 0.34 2.18 -0.11 0.00 0.69 0.00 0.00 54.13 57.22 2jwy s LEU 147 Cb 0.19 -3.56 -0.04 0.00 -0.43 0.00 0.00 46.19 42.35 2jwy s LEU 147 CO 0.26 -0.75 -0.22 0.61 -0.29 0.00 0.00 176.35 175.97 2jwy n GLY 148 N 3.70 -0.67 3.18 7.98 0.00 0.28 -4.78 105.19 114.89 2jwy n GLY 148 Ca 0.14 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 2jwy n GLY 148 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jwy s PHE 149 N -2.28 0.25 -0.31 1.61 -0.71 -0.33 -4.49 117.98 111.72 2jwy s PHE 149 Ca -0.18 -0.70 0.02 0.00 -1.04 0.00 0.00 56.93 55.03 2jwy s PHE 149 Cb 0.02 -0.13 0.09 0.00 -1.21 0.00 0.00 43.02 41.79 2jwy s PHE 149 CO 0.27 -0.52 0.05 0.08 -1.34 0.00 0.00 175.22 173.76 2jwy s VAL 150 N -3.88 1.69 -0.82 -2.49 1.01 0.12 -1.71 120.40 114.32 2jwy s VAL 150 Ca 0.06 -1.84 -0.21 0.00 0.00 0.00 0.00 61.98 59.99 2jwy s VAL 150 Cb 0.06 -2.20 0.10 0.00 0.00 0.00 0.00 36.38 34.33 2jwy s VAL 150 CO -0.10 -0.53 1.08 -0.60 0.00 0.00 0.00 175.10 174.94 2jwy s ARG 151 N 1.22 3.38 -0.10 2.72 3.52 0.24 -0.88 118.95 129.05 2jwy s ARG 151 Ca 0.07 -1.32 -0.24 0.00 -0.13 0.00 0.00 55.73 54.11 2jwy s ARG 151 Cb -0.18 -4.65 -0.03 0.00 -1.56 0.00 0.00 34.95 28.53 2jwy s ARG 151 CO -0.13 -1.82 0.75 0.42 -0.81 0.00 0.00 175.30 173.71 2jwy s ILE 152 N 3.43 4.99 0.24 4.11 -1.09 -0.28 -0.63 121.20 131.96 2jwy s ILE 152 Ca 0.29 1.52 -0.15 0.00 -2.23 0.00 0.00 60.65 60.07 2jwy s ILE 152 Cb -0.10 -4.08 0.06 0.00 -1.58 0.00 0.00 42.46 36.76 2jwy s ILE 152 CO -0.01 0.17 0.77 0.00 -1.23 0.00 0.00 174.94 174.64 2jwy n HIS 153 N 4.32 -1.67 -1.81 3.97 1.44 -1.07 -0.45 115.22 119.95 2jwy n HIS 153 Ca 0.01 -1.30 -0.14 0.00 -2.01 0.00 0.00 57.72 54.27 2jwy n HIS 153 Cb 0.50 0.65 -0.04 0.00 0.12 0.00 0.00 29.99 31.22 2jwy n HIS 153 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2jwy n ASP 154 N -1.31 -4.56 -4.58 4.39 8.00 -1.26 0.09 116.55 117.32 2jwy n ASP 154 Ca -0.05 0.19 -0.41 0.00 0.71 0.00 0.00 54.79 55.23 2jwy n ASP 154 Cb 0.49 -3.51 -0.03 0.00 -0.02 0.00 0.00 41.12 38.06 2jwy n ASP 154 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jwy s ILE 155 N -2.61 3.35 0.04 0.53 -1.09 -1.25 -4.26 121.20 115.91 2jwy s ILE 155 Ca 0.00 0.30 0.01 0.00 -2.23 0.00 0.00 60.65 58.74 2jwy s ILE 155 Cb 0.00 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 2jwy s ILE 155 CO 0.00 -0.50 -0.06 0.00 -1.23 0.00 0.00 174.94 173.15 2jwy s GLN 156 N 6.47 0.49 0.16 2.79 -2.07 0.03 -1.81 119.66 125.72 2jwy s GLN 156 Ca 0.79 -0.80 -0.30 0.00 -1.82 0.00 0.00 55.36 53.23 2jwy s GLN 156 Cb -0.19 -0.10 -0.08 0.00 -1.09 0.00 0.00 33.01 31.55 2jwy s GLN 156 CO 0.29 -0.00 1.28 -1.25 -1.32 0.00 0.00 175.29 174.28 2jwy s PRO 157 N -1.93 4.41 -0.13 9.60 0.04 -1.26 -0.70 135.00 145.03 2jwy s PRO 157 Ca -0.09 1.98 0.01 0.00 0.04 0.00 0.00 61.00 62.95 2jwy s PRO 157 Cb -0.07 -3.23 0.20 0.00 0.04 0.00 0.00 34.50 31.44 2jwy s PRO 157 CO -0.01 -0.25 1.23 1.33 0.04 0.00 0.00 177.00 179.34 2jwy n VAL 158 N 2.98 1.56 -4.36 -0.36 0.24 -0.48 -4.86 118.33 113.06 2jwy n VAL 158 Ca 0.07 -0.55 -0.16 0.00 -2.04 0.00 0.00 64.34 61.66 2jwy n VAL 158 Cb 0.44 -0.80 -0.04 0.00 -1.47 0.00 0.00 33.84 31.97 2jwy n VAL 158 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 2jwy n MET 159 N 0.03 1.19 -2.67 7.34 0.00 -1.26 -5.04 117.12 116.72 2jwy n MET 159 Ca 0.17 -1.91 -0.43 0.00 0.00 0.00 0.00 57.70 55.53 2jwy n MET 159 Cb 0.81 0.64 -0.02 0.00 0.00 0.00 0.00 33.22 34.65 2jwy n MET 159 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 175.97 177.11 2jwy s GLN 160 N -2.92 4.30 0.03 3.17 -2.07 -1.26 -5.05 119.66 115.85 2jwy s GLN 160 Ca 0.03 1.36 -0.01 0.00 -1.82 0.00 0.00 55.36 54.92 2jwy s GLN 160 Cb 0.00 -3.62 -0.04 0.00 -1.09 0.00 0.00 33.01 28.27 2jwy s GLN 160 CO 0.02 -0.55 0.19 -0.51 -1.32 0.00 0.00 175.29 173.12 2jwy s LEU 161 N 2.89 4.33 0.05 2.60 1.02 -1.26 -5.13 118.68 123.19 2jwy s LEU 161 Ca 0.45 0.29 0.01 0.00 0.02 0.00 0.00 54.13 54.90 2jwy s LEU 161 Cb -0.16 -2.77 -0.03 0.00 0.02 0.00 0.00 46.19 43.25 2jwy s LEU 161 CO 0.09 0.21 -0.06 -1.83 0.02 0.00 0.00 176.35 174.79 2jwy s GLU 162 N -2.23 0.55 0.05 1.70 -1.05 -1.26 -5.17 118.70 111.29 2jwy s GLU 162 Ca 0.31 -0.91 -0.25 0.00 -0.15 0.00 0.00 54.97 53.97 2jwy s GLU 162 Cb -0.13 -0.11 0.06 0.00 -0.44 0.00 0.00 34.13 33.51 2jwy s GLU 162 CO 0.23 -0.01 0.59 -3.38 0.95 0.00 0.00 175.26 173.65 2jwy s HIS 163 N -2.22 -0.53 -0.05 4.83 -3.43 -1.26 -5.17 115.29 107.46 2jwy s HIS 163 Ca -0.05 0.64 -0.01 0.00 -0.80 0.00 0.00 55.06 54.84 2jwy s HIS 163 Cb -0.04 0.42 0.03 0.00 -1.43 0.00 0.00 32.58 31.56 2jwy s HIS 163 CO -0.02 -0.69 0.03 -1.58 -2.00 0.00 0.00 174.74 170.47 2jwy s HIS 164 N -2.40 0.36 0.26 0.38 5.04 -1.26 -5.15 115.29 112.52 2jwy s HIS 164 Ca -0.05 0.04 0.02 0.00 -1.54 0.00 0.00 55.06 53.52 2jwy s HIS 164 Cb -0.01 -0.60 0.05 0.00 0.04 0.00 0.00 32.58 32.07 2jwy s HIS 164 CO -0.01 -0.23 0.36 0.72 -2.34 0.00 0.00 174.74 173.24 2jwy n HIS 165 N 5.02 -2.96 -4.20 3.88 8.25 -1.26 -5.15 115.22 118.80 2jwy n HIS 165 Ca -0.09 -0.78 -0.11 0.00 -0.26 0.00 0.00 57.72 56.48 2jwy n HIS 165 Cb 0.50 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 31.32 2jwy n HIS 165 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jwy n HIS 166 N -1.74 -0.08 0.09 4.41 8.25 -1.26 -5.04 115.22 119.85 2jwy n HIS 166 Ca 0.07 -1.25 -0.07 0.00 -0.26 0.00 0.00 57.72 56.21 2jwy n HIS 166 Cb 0.24 0.04 0.02 0.00 1.12 0.00 0.00 29.99 31.41 2jwy n HIS 166 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2jwy h HIS 167 N 1.37 0.25 -0.03 4.41 2.76 -2.10 -3.58 115.15 118.24 2jwy h HIS 167 Ca -0.14 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 57.90 2jwy h HIS 167 Cb 0.56 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.49 2jwy h HIS 167 CO 0.00 0.91 0.00 1.58 -1.30 0.00 0.00 177.93 179.12