#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 0.17 -0.06 3.17 -7.23 -1.26 -5.16 120.40 110.04 2jwy s VAL 2 Ca 0.00 -1.43 -0.02 0.00 -1.81 0.00 0.00 61.98 58.72 2jwy s VAL 2 Cb 0.00 -1.18 0.03 0.00 0.56 0.00 0.00 36.38 35.80 2jwy s VAL 2 CO 0.00 -0.79 0.05 -1.58 -0.31 0.00 0.00 175.10 172.47 2jwy s GLN 3 N -3.27 0.12 -0.88 4.82 0.74 -1.26 -5.10 119.66 114.83 2jwy s GLN 3 Ca 0.01 0.26 -0.25 0.00 0.05 0.00 0.00 55.36 55.43 2jwy s GLN 3 Cb 0.03 -0.76 0.04 0.00 1.10 0.00 0.00 33.01 33.41 2jwy s GLN 3 CO -0.08 -0.36 1.41 -0.65 -0.55 0.00 0.00 175.29 175.07 2jwy s GLN 4 N 2.11 3.35 0.59 1.67 -0.21 -1.26 -5.00 119.66 120.92 2jwy s GLN 4 Ca 0.05 -0.66 -0.19 0.00 0.02 0.00 0.00 55.36 54.58 2jwy s GLN 4 Cb -0.12 -4.81 -0.04 0.00 1.00 0.00 0.00 33.01 29.04 2jwy s GLN 4 CO -0.04 -2.24 1.20 -1.12 -2.12 0.00 0.00 175.29 170.96 2jwy s SER 5 N 4.66 5.21 0.34 5.90 0.01 -1.26 -5.05 113.70 123.51 2jwy s SER 5 Ca 0.43 2.35 0.06 0.00 1.31 0.00 0.00 55.95 60.10 2jwy s SER 5 Cb -0.04 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.58 2jwy s SER 5 CO 0.02 -1.57 0.48 -1.83 0.41 0.00 0.00 173.24 170.75 2jwy s GLU 6 N -3.37 3.14 -0.13 12.44 1.03 -1.26 -5.11 118.70 125.45 2jwy s GLU 6 Ca 0.77 -0.94 -0.09 0.00 0.03 0.00 0.00 54.97 54.74 2jwy s GLU 6 Cb -0.29 -2.80 -0.04 0.00 -0.80 0.00 0.00 34.13 30.19 2jwy s GLU 6 CO 0.33 0.06 0.18 0.14 -1.33 0.00 0.00 175.26 174.64 2jwy s VAL 7 N -2.20 5.41 0.07 1.83 -7.23 -1.26 -5.10 120.40 111.92 2jwy s VAL 7 Ca 0.44 0.31 0.04 0.00 -1.81 0.00 0.00 61.98 60.96 2jwy s VAL 7 Cb -0.10 -3.48 -0.04 0.00 0.56 0.00 0.00 36.38 33.33 2jwy s VAL 7 CO 0.32 0.55 0.00 -0.13 -0.31 0.00 0.00 175.10 175.52 2jwy s ARG 8 N -0.52 2.59 -0.41 4.82 0.52 -1.26 -5.10 118.95 119.59 2jwy s ARG 8 Ca 0.14 -0.80 -0.08 0.00 -0.52 0.00 0.00 55.73 54.48 2jwy s ARG 8 Cb -0.12 -2.56 0.08 0.00 0.52 0.00 0.00 34.95 32.86 2jwy s ARG 8 CO 0.03 0.56 0.24 -0.65 0.02 0.00 0.00 175.30 175.50 2jwy s GLN 9 N -2.18 2.50 0.27 3.54 -1.52 -1.26 -5.09 119.66 115.93 2jwy s GLN 9 Ca 0.25 -1.51 -0.29 0.00 -1.95 0.00 0.00 55.36 51.86 2jwy s GLN 9 Cb -0.12 -3.71 -0.09 0.00 -0.22 0.00 0.00 33.01 28.87 2jwy s GLN 9 CO 0.17 -0.96 1.03 -1.64 -0.25 0.00 0.00 175.29 173.64 2jwy s MET 10 N 1.37 4.71 -0.27 2.91 -1.94 -1.26 -4.99 119.30 119.83 2jwy s MET 10 Ca 0.03 1.65 -0.29 0.00 -1.71 0.00 0.00 55.69 55.37 2jwy s MET 10 Cb -0.23 -3.19 -0.01 0.00 2.01 0.00 0.00 34.83 33.41 2jwy s MET 10 CO 0.01 0.33 1.50 0.15 -0.01 0.00 0.00 175.02 177.00 2jwy s LYS 11 N -1.40 3.78 0.19 2.03 -0.14 -1.26 -4.99 119.74 117.95 2jwy s LYS 11 Ca 0.44 1.43 -0.01 0.00 -1.36 0.00 0.00 55.97 56.47 2jwy s LYS 11 Cb -0.29 -3.99 -0.04 0.00 -1.68 0.00 0.00 37.83 31.83 2jwy s LYS 11 CO 0.36 -1.30 0.13 -3.38 -0.76 0.00 0.00 175.35 170.41 2jwy s HIS 12 N 5.05 1.10 0.46 3.18 -3.43 -1.26 -5.14 115.29 115.25 2jwy s HIS 12 Ca 0.66 -1.34 -0.25 0.00 -0.80 0.00 0.00 55.06 53.33 2jwy s HIS 12 Cb -0.21 -0.53 -0.08 0.00 -1.43 0.00 0.00 32.58 30.34 2jwy s HIS 12 CO 0.28 -0.64 1.43 -1.54 -2.00 0.00 0.00 174.74 172.27 2jwy s SER 13 N -3.14 5.81 -0.06 7.38 1.04 -1.26 -5.03 113.70 118.44 2jwy s SER 13 Ca 0.37 2.94 -0.00 0.00 0.48 0.00 0.00 55.95 59.73 2jwy s SER 13 Cb 0.07 -2.65 0.03 0.00 0.10 0.00 0.00 66.02 63.56 2jwy s SER 13 CO 0.11 -1.22 -0.01 0.68 0.98 0.00 0.00 173.24 173.77 2jwy s VAL 14 N -1.20 0.41 -0.27 5.02 -7.23 -1.26 -5.01 120.40 110.86 2jwy s VAL 14 Ca 0.62 0.04 0.12 0.00 -1.81 0.00 0.00 61.98 60.95 2jwy s VAL 14 Cb -0.44 -0.52 0.69 0.00 0.56 0.00 0.00 36.38 36.67 2jwy s VAL 14 CO 0.56 0.24 1.68 -1.20 -0.31 0.00 0.00 175.10 176.07 2jwy n SER 15 N 4.68 4.58 -4.49 4.85 7.64 -1.26 -5.01 113.62 124.60 2jwy n SER 15 Ca -0.15 -3.17 -0.26 0.00 1.01 0.00 0.00 58.87 56.29 2jwy n SER 15 Cb 0.50 -0.68 0.13 0.00 -1.01 0.00 0.00 64.21 63.16 2jwy n SER 15 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2jwy s THR 16 N -2.94 2.10 0.84 0.44 -4.23 -1.26 -5.08 115.64 105.51 2jwy s THR 16 Ca 0.51 -0.33 -0.11 0.00 -1.18 0.00 0.00 61.69 60.58 2jwy s THR 16 Cb 0.41 -2.77 0.09 0.00 1.34 0.00 0.00 72.50 71.57 2jwy s THR 16 CO 0.12 0.00 1.09 -0.76 -0.54 0.00 0.00 174.62 174.53 2jwy s LEU 17 N -5.45 2.67 0.90 4.79 1.02 -1.26 -5.03 118.68 116.32 2jwy s LEU 17 Ca 0.69 1.70 -0.12 0.00 0.02 0.00 0.00 54.13 56.41 2jwy s LEU 17 Cb -0.05 -4.25 0.13 0.00 0.02 0.00 0.00 46.19 42.03 2jwy s LEU 17 CO 0.48 -2.37 1.12 0.20 0.02 0.00 0.00 176.35 175.79 2jwy s ASN 18 N -3.36 3.60 0.54 2.29 -0.87 -1.26 -5.09 114.94 110.80 2jwy s ASN 18 Ca 0.62 1.13 0.08 0.00 -1.57 0.00 0.00 52.86 53.12 2jwy s ASN 18 Cb -0.18 -1.77 0.08 0.00 -0.02 0.00 0.00 41.25 39.35 2jwy s ASN 18 CO 0.57 -2.51 0.63 0.00 -2.57 0.00 0.00 177.10 173.21 2jwy n GLN 19 N -3.76 0.66 0.00 -0.60 3.00 -1.26 -5.15 117.38 110.26 2jwy n GLN 19 Ca 0.06 -3.07 0.00 0.00 -0.01 0.00 0.00 57.00 53.98 2jwy n GLN 19 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 30.24 30.79 2jwy n GLN 19 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 2jwy n GLU 20 N -2.03 2.44 -1.64 -1.09 0.28 -1.26 -5.02 120.64 112.32 2jwy n GLU 20 Ca 0.09 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.64 2jwy n GLU 20 Cb 0.58 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.43 2jwy n GLU 20 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2jwy n MET 21 N 0.00 1.71 -2.53 3.44 2.81 -1.26 -4.99 117.12 116.30 2jwy n MET 21 Ca 0.00 0.60 -0.25 0.00 -1.81 0.00 0.00 57.70 56.24 2jwy n MET 21 Cb 0.00 -2.15 0.03 0.00 -0.71 0.00 0.00 33.22 30.39 2jwy n MET 21 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2jwy s THR 22 N -0.49 3.44 0.43 2.03 -4.23 -1.26 -5.10 115.64 110.45 2jwy s THR 22 Ca 0.65 -0.22 -0.07 0.00 -1.18 0.00 0.00 61.69 60.87 2jwy s THR 22 Cb -0.69 -3.35 0.10 0.00 1.34 0.00 0.00 72.50 69.90 2jwy s THR 22 CO 0.55 -0.32 0.51 0.00 -0.54 0.00 0.00 174.62 174.81 2jwy n GLN 23 N -2.49 -0.94 -1.43 3.99 10.64 -1.26 -5.01 117.38 120.88 2jwy n GLN 23 Ca 0.05 -0.80 -0.36 0.00 -1.83 0.00 0.00 57.00 54.06 2jwy n GLN 23 Cb 0.58 -0.59 0.09 0.00 -0.86 0.00 0.00 30.24 29.46 2jwy n GLN 23 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 2jwy n LEU 24 N 0.00 4.21 -4.76 2.61 7.94 -1.26 -4.95 117.00 120.78 2jwy n LEU 24 Ca 0.07 0.70 -0.37 0.00 -1.11 0.00 0.00 56.01 55.30 2jwy n LEU 24 Cb 0.24 -1.45 0.01 0.00 0.53 0.00 0.00 43.42 42.74 2jwy n LEU 24 CO 0.17 -1.75 0.85 0.21 -1.11 0.00 0.00 177.39 175.76 2jwy s ASN 25 N -1.61 5.76 0.16 1.96 3.84 -1.26 -4.93 114.94 118.86 2jwy s ASN 25 Ca 0.76 2.39 -0.16 0.00 0.21 0.00 0.00 52.86 56.06 2jwy s ASN 25 Cb -0.35 -2.61 0.08 0.00 -0.55 0.00 0.00 41.25 37.82 2jwy s ASN 25 CO 0.48 -1.20 1.74 1.56 -2.79 0.00 0.00 177.10 176.88 2jwy h GLN 26 N 1.62 0.22 -0.08 0.43 1.08 -1.99 -2.64 115.11 113.75 2jwy h GLN 26 Ca -0.50 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 56.72 2jwy h GLN 26 Cb 1.27 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.61 2jwy h GLN 26 CO 0.58 0.15 -0.16 1.49 -0.95 0.00 0.00 178.83 179.94 2jwy h GLU 27 N 0.23 -0.22 -0.91 1.46 4.81 -1.93 0.53 114.58 118.56 2jwy h GLU 27 Ca 0.17 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.50 2jwy h GLU 27 Cb 0.19 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.54 2jwy h GLU 27 CO -0.21 -0.15 0.57 1.15 -0.73 0.00 0.00 179.01 179.64 2jwy h THR 28 N -0.23 1.00 -0.46 0.32 2.02 -1.86 0.12 112.91 113.82 2jwy h THR 28 Ca 0.08 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.85 2jwy h THR 28 Cb 0.34 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 2jwy h THR 28 CO -0.21 0.18 -0.02 0.58 0.37 0.00 0.00 175.52 176.42 2jwy h VAL 29 N 0.99 1.24 -0.48 3.16 2.07 -1.01 -1.32 116.25 120.90 2jwy h VAL 29 Ca 0.42 -1.02 -0.11 0.00 0.82 0.00 0.00 66.70 66.82 2jwy h VAL 29 Cb 0.27 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2jwy h VAL 29 CO -0.21 0.36 -0.13 0.50 0.02 0.00 0.00 177.57 178.11 2jwy h LYS 30 N 0.71 0.89 -0.14 1.57 1.63 0.55 -1.26 116.57 120.53 2jwy h LYS 30 Ca 0.14 -0.32 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 2jwy h LYS 30 Cb 0.47 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 2jwy h LYS 30 CO 0.02 0.96 0.09 0.82 -3.45 0.00 0.00 179.45 177.89 2jwy h ILE 31 N 0.79 1.04 -0.86 2.00 2.04 -0.48 -0.30 117.51 121.74 2jwy h ILE 31 Ca 0.13 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 65.97 2jwy h ILE 31 Cb 0.65 0.85 -0.07 0.00 -0.74 0.00 0.00 36.82 37.51 2jwy h ILE 31 CO 0.05 0.04 0.52 0.74 0.00 0.00 0.00 178.15 179.50 2jwy h THR 32 N 0.18 0.97 -0.40 -0.27 2.02 -1.10 -1.61 112.91 112.72 2jwy h THR 32 Ca 0.05 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 66.94 2jwy h THR 32 Cb -0.01 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.37 2jwy h THR 32 CO -0.01 0.16 0.23 -0.61 0.37 0.00 0.00 175.52 175.67 2jwy h GLN 33 N 0.90 0.46 0.08 6.66 4.15 -0.81 -2.13 115.11 124.43 2jwy h GLN 33 Ca 0.40 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.81 2jwy h GLN 33 Cb 0.28 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 2jwy h GLN 33 CO -0.21 0.30 -0.18 0.37 -1.93 0.00 0.00 178.83 177.18 2jwy h GLN 34 N 0.47 -0.32 -0.75 1.69 4.15 -0.15 0.71 115.11 120.92 2jwy h GLN 34 Ca 0.16 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.65 2jwy h GLN 34 Cb 0.00 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.71 2jwy h GLN 34 CO -0.07 -0.21 0.46 -0.91 -1.93 0.00 0.00 178.83 176.16 2jwy h ASN 35 N -0.33 0.73 -0.01 -0.69 2.35 -1.30 0.09 115.58 116.42 2jwy h ASN 35 Ca 0.03 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 2jwy h ASN 35 Cb 0.36 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 2jwy h ASN 35 CO -0.11 0.48 -0.31 0.03 -1.65 0.00 0.00 177.43 175.87 2jwy h ARG 36 N 0.86 0.46 -0.38 0.81 3.08 -1.03 -2.07 114.38 116.12 2jwy h ARG 36 Ca 0.32 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 60.05 2jwy h ARG 36 Cb 0.11 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2jwy h ARG 36 CO -0.15 0.73 -0.25 -0.07 -1.07 0.00 0.00 179.97 179.16 2jwy h LEU 37 N 0.40 0.80 -0.65 3.04 3.38 -0.33 -2.39 115.31 119.56 2jwy h LEU 37 Ca 0.05 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.76 2jwy h LEU 37 Cb 0.75 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 2jwy h LEU 37 CO 0.06 1.01 0.38 -1.13 0.09 0.00 0.00 178.44 178.85 2jwy h ASN 38 N 0.67 0.59 -0.41 -0.43 -0.73 -0.61 0.31 115.58 114.97 2jwy h ASN 38 Ca 0.09 0.02 -0.04 0.00 1.87 0.00 0.00 56.30 58.23 2jwy h ASN 38 Cb 0.77 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 39.23 2jwy h ASN 38 CO 0.06 0.40 0.12 0.00 -0.37 0.00 0.00 177.43 177.64 2jwy h ALA 39 N 1.31 1.33 -0.01 1.57 0.00 -1.26 -2.15 119.26 120.05 2jwy h ALA 39 Ca 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2jwy h ALA 39 Cb 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2jwy h ALA 39 CO -0.14 0.48 -0.07 1.63 0.00 0.00 0.00 179.25 181.15 2jwy n LYS 40 N -4.30 1.15 -2.63 0.00 5.02 -0.72 -4.91 118.16 111.76 2jwy n LYS 40 Ca 0.03 -0.52 -0.33 0.00 -2.02 0.00 0.00 58.31 55.47 2jwy n LYS 40 Cb 0.20 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 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 -2.21 6.63 0.00 4.39 0.15 1.00 -4.98 113.70 118.68 2jwy s SER 41 Ca 0.35 1.76 0.00 0.00 0.70 0.00 0.00 55.95 58.76 2jwy s SER 41 Cb 0.21 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2jwy s SER 41 CO 0.41 -0.58 0.00 -1.20 1.20 0.00 0.00 173.24 173.07 2jwy n SER 42 N -0.95 4.35 -4.09 5.45 7.64 -1.26 -4.93 113.62 119.83 2jwy n SER 42 Ca 0.08 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.60 2jwy n SER 42 Cb 0.53 0.38 -0.08 0.00 -1.01 0.00 0.00 64.21 64.03 2jwy n SER 42 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jwy s SER 43 N -2.98 5.52 0.00 6.43 1.04 -1.26 -5.05 113.70 117.41 2jwy s SER 43 Ca 0.00 -3.30 0.00 0.00 0.48 0.00 0.00 55.95 53.13 2jwy s SER 43 Cb 0.00 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 64.26 2jwy s SER 43 CO 0.00 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2jwy n GLY 44 N 2.89 -0.11 3.23 7.32 0.00 -1.26 -4.57 105.19 112.68 2jwy n GLY 44 Ca 0.14 -1.08 -0.27 0.00 0.00 0.00 0.00 46.02 44.81 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 1.68 -0.51 1.61 -7.23 -0.03 -4.88 120.40 111.04 2jwy s VAL 45 Ca 0.00 -0.94 -0.24 0.00 -1.81 0.00 0.00 61.98 58.99 2jwy s VAL 45 Cb 0.00 -1.40 0.04 0.00 0.56 0.00 0.00 36.38 35.57 2jwy s VAL 45 CO 0.00 0.44 0.88 -0.31 -0.31 0.00 0.00 175.10 175.80 2jwy s TYR 46 N -0.53 2.88 -0.19 2.82 1.51 -1.26 -0.45 117.35 122.12 2jwy s TYR 46 Ca 0.08 0.08 -0.12 0.00 -1.01 0.00 0.00 57.07 56.09 2jwy s TYR 46 Cb -0.08 -3.92 -0.05 0.00 -0.11 0.00 0.00 41.96 37.80 2jwy s TYR 46 CO -0.00 -1.20 0.24 -0.51 -1.11 0.00 0.00 175.55 172.97 2jwy s LEU 47 N 3.68 4.19 -0.13 -1.29 1.43 0.16 -4.76 118.68 121.96 2jwy s LEU 47 Ca 0.31 0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 53.74 2jwy s LEU 47 Cb -0.12 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 2jwy s LEU 47 CO 0.21 0.08 -0.03 -0.76 0.23 0.00 0.00 176.35 176.08 2jwy s LEU 48 N 0.70 3.33 0.21 1.79 1.43 -1.26 -0.12 118.68 124.75 2jwy s LEU 48 Ca 0.13 -0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 53.09 2jwy s LEU 48 Cb -0.13 -1.78 0.29 0.00 0.03 0.00 0.00 46.19 44.60 2jwy s LEU 48 CO 0.03 0.24 1.74 -0.65 0.23 0.00 0.00 176.35 177.94 2jwy h PRO 49 N 6.15 0.38 0.00 1.29 0.11 -1.86 -0.41 132.00 137.65 2jwy h PRO 49 Ca -0.38 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.64 2jwy h PRO 49 Cb 1.19 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2jwy h PRO 49 CO 0.60 0.25 -0.32 0.78 -0.21 0.00 0.00 178.00 179.10 2jwy h GLY 50 N 0.39 0.00 -6.00 -0.55 0.00 -1.96 -3.34 103.07 91.61 2jwy h GLY 50 Ca 0.31 0.00 -0.76 0.00 0.00 0.00 0.00 47.33 46.89 2jwy h GLY 50 CO -0.33 0.00 2.04 0.00 0.00 0.00 0.00 176.54 178.25 2jwy n ALA 51 N -2.28 6.26 -1.30 3.60 0.00 -0.16 -4.74 120.51 121.88 2jwy n ALA 51 Ca -0.00 -4.26 -0.32 0.00 0.00 0.00 0.00 53.44 48.86 2jwy n ALA 51 Cb 0.47 -2.72 -0.09 0.00 0.00 0.00 0.00 19.45 17.10 2jwy n ALA 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2jwy n LYS 52 N 1.99 0.72 -3.96 0.00 5.02 -1.25 -4.53 118.16 116.15 2jwy n LYS 52 Ca 0.52 -1.72 -0.09 0.00 -2.02 0.00 0.00 58.31 55.00 2jwy n LYS 52 Cb 0.28 -3.27 -0.10 0.00 -0.02 0.00 0.00 35.03 31.91 2jwy n LYS 52 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2jwy s THR 53 N 10.37 0.12 0.03 -0.18 -4.23 -1.26 -4.98 115.64 115.50 2jwy s THR 53 Ca 0.70 -0.96 -0.30 0.00 -1.18 0.00 0.00 61.69 59.95 2jwy s THR 53 Cb 0.06 -0.49 -0.05 0.00 1.34 0.00 0.00 72.50 73.36 2jwy s THR 53 CO 0.21 -0.53 1.24 -2.16 -0.54 0.00 0.00 174.62 172.84 2jwy s PRO 54 N -1.80 4.38 -0.04 3.99 0.04 -1.26 -4.50 135.00 135.82 2jwy s PRO 54 Ca -0.12 1.79 0.06 0.00 0.04 0.00 0.00 61.00 62.77 2jwy s PRO 54 Cb -0.07 -3.43 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 2jwy s PRO 54 CO -0.02 -0.36 -0.20 0.00 0.04 0.00 0.00 177.00 176.46 2jwy s ALA 55 N 1.54 2.42 -0.04 8.56 0.00 0.14 -4.96 121.76 129.41 2jwy s ALA 55 Ca 0.59 -1.05 -0.20 0.00 0.00 0.00 0.00 51.96 51.30 2jwy s ALA 55 Cb -0.29 -0.77 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 2jwy s ALA 55 CO 0.27 0.54 0.58 0.50 0.00 0.00 0.00 175.76 177.65 2jwy s ARG 56 N -0.66 4.32 -0.05 0.00 3.52 -1.26 -1.04 118.95 123.78 2jwy s ARG 56 Ca 0.11 0.67 0.01 0.00 -0.13 0.00 0.00 55.73 56.39 2jwy s ARG 56 Cb -0.10 -3.38 0.02 0.00 -1.56 0.00 0.00 34.95 29.93 2jwy s ARG 56 CO -0.00 0.28 -0.06 -1.17 -0.81 0.00 0.00 175.30 173.54 2jwy s LEU 57 N 0.13 1.41 0.08 -0.88 2.96 0.21 -4.97 118.68 117.63 2jwy s LEU 57 Ca 0.31 -0.17 -0.22 0.00 -0.22 0.00 0.00 54.13 53.82 2jwy s LEU 57 Cb -0.17 -0.55 -0.07 0.00 0.50 0.00 0.00 46.19 45.90 2jwy s LEU 57 CO 0.15 -0.03 0.68 -0.70 -1.32 0.00 0.00 176.35 175.13 2jwy s GLU 58 N 0.85 4.39 0.45 1.98 -6.30 -1.26 -0.89 118.70 117.92 2jwy s GLU 58 Ca -0.12 0.93 0.03 0.00 -2.50 0.00 0.00 54.97 53.31 2jwy s GLU 58 Cb -0.15 -3.29 -0.02 0.00 0.00 0.00 0.00 34.13 30.67 2jwy s GLU 58 CO 0.01 0.50 0.08 -1.54 0.02 0.00 0.00 175.26 174.33 2jwy s SER 59 N -0.74 3.31 0.00 -1.70 1.04 0.39 -4.95 113.70 111.04 2jwy s SER 59 Ca 0.33 -1.66 0.27 0.00 0.48 0.00 0.00 55.95 55.37 2jwy s SER 59 Cb -0.21 0.49 1.59 0.00 0.10 0.00 0.00 66.02 68.00 2jwy s SER 59 CO 0.22 -0.89 1.97 0.00 0.98 0.00 0.00 173.24 175.51 2jwy n GLN 60 N -1.04 0.90 0.00 4.02 6.02 -1.13 -2.61 117.38 123.54 2jwy n GLN 60 Ca -0.11 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 56.89 2jwy n GLN 60 Cb 0.66 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.45 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 -0.96 0.00 -0.05 5.09 -5.35 -1.26 -4.90 119.36 111.93 2jwy n ILE 61 Ca 0.20 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 2jwy n ILE 61 Cb 0.09 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 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 0.53 0.82 3.74 3.28 0.00 -1.07 -4.99 105.19 107.49 2jwy n GLY 62 Ca 0.01 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.26 5.00 0.26 2.61 2.01 -1.26 -0.46 115.64 122.54 2jwy s THR 63 Ca 0.00 1.28 0.06 0.00 0.31 0.00 0.00 61.69 63.34 2jwy s THR 63 Cb 0.00 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 2jwy s THR 63 CO 0.00 0.34 0.21 0.00 -0.69 0.00 0.00 174.62 174.48 2jwy n LEU 64 N 3.27 0.00 -3.98 4.42 -0.00 -0.07 -2.24 117.00 118.40 2jwy n LEU 64 Ca -0.05 -2.47 -0.16 0.00 -0.00 0.00 0.00 56.01 53.33 2jwy n LEU 64 Cb 0.51 1.26 -0.14 0.00 -0.00 0.00 0.00 43.42 45.04 2jwy n LEU 64 CO 0.45 -0.41 -0.41 -0.60 -0.00 0.00 0.00 177.39 176.42 2jwy s ARG 65 N -3.07 0.49 0.10 1.47 3.52 0.87 -0.61 118.95 121.71 2jwy s ARG 65 Ca 0.30 -0.26 0.06 0.00 -0.13 0.00 0.00 55.73 55.70 2jwy s ARG 65 Cb 0.01 -0.46 -0.03 0.00 -1.56 0.00 0.00 34.95 32.91 2jwy s ARG 65 CO 0.21 0.12 -0.15 -1.64 -0.81 0.00 0.00 175.30 173.03 2jwy s MET 66 N -0.25 0.95 0.01 5.12 -1.94 -0.21 -0.92 119.30 122.06 2jwy s MET 66 Ca 0.01 -1.12 -0.18 0.00 -1.71 0.00 0.00 55.69 52.70 2jwy s MET 66 Cb -0.03 -0.93 0.03 0.00 2.01 0.00 0.00 34.83 35.91 2jwy s MET 66 CO -0.00 0.20 0.40 -1.54 -0.01 0.00 0.00 175.02 174.06 2jwy s SER 67 N -2.10 -0.28 -0.39 3.03 1.04 -0.91 -0.69 113.70 113.40 2jwy s SER 67 Ca 0.04 0.09 -0.14 0.00 0.48 0.00 0.00 55.95 56.42 2jwy s SER 67 Cb -0.08 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.45 2jwy s SER 67 CO 0.03 -0.58 0.27 -0.76 0.98 0.00 0.00 173.24 173.18 2jwy s LEU 68 N -1.70 4.93 0.18 2.42 1.43 -1.26 -1.96 118.68 122.72 2jwy s LEU 68 Ca -0.09 -0.83 0.07 0.00 -1.03 0.00 0.00 54.13 52.25 2jwy s LEU 68 Cb -0.02 -2.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 2jwy s LEU 68 CO 0.01 -0.40 -0.13 0.68 0.23 0.00 0.00 176.35 176.74 2jwy s VAL 69 N 1.67 1.55 -0.81 -1.59 -7.23 -0.95 -4.70 120.40 108.33 2jwy s VAL 69 Ca 0.05 -2.12 -0.02 0.00 -1.81 0.00 0.00 61.98 58.08 2jwy s VAL 69 Cb -0.19 -1.94 -0.00 0.00 0.56 0.00 0.00 36.38 34.81 2jwy s VAL 69 CO 0.09 -0.61 0.67 0.59 -0.31 0.00 0.00 175.10 175.54 2jwy n ASN 70 N -0.22 -6.46 -4.34 4.85 3.02 -1.26 -0.68 115.26 110.17 2jwy n ASN 70 Ca -0.09 -0.50 -0.45 0.00 -0.03 0.00 0.00 54.58 53.50 2jwy n ASN 70 Cb 0.60 -3.77 -0.06 0.00 -0.61 0.00 0.00 39.78 35.94 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 -3.04 5.16 0.05 2.41 1.01 -1.26 -3.27 121.20 122.26 2jwy s ILE 71 Ca 0.05 -1.34 0.09 0.00 0.00 0.00 0.00 60.65 59.44 2jwy s ILE 71 Cb -0.01 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.21 2jwy s ILE 71 CO 0.81 -0.75 -0.24 0.42 0.00 0.00 0.00 174.94 175.19 2jwy s THR 72 N 1.60 1.98 0.07 2.92 -4.23 -0.04 -4.99 115.64 112.95 2jwy s THR 72 Ca 0.03 -1.34 -0.31 0.00 -1.18 0.00 0.00 61.69 58.89 2jwy s THR 72 Cb -0.27 -1.70 -0.06 0.00 1.34 0.00 0.00 72.50 71.80 2jwy s THR 72 CO 0.04 0.29 1.27 -2.16 -0.54 0.00 0.00 174.62 173.53 2jwy s PRO 73 N -1.27 4.38 0.34 3.99 0.04 -1.26 -0.13 135.00 141.10 2jwy s PRO 73 Ca 0.10 1.88 0.08 0.00 0.04 0.00 0.00 61.00 63.11 2jwy s PRO 73 Cb -0.10 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 2jwy s PRO 73 CO 0.02 -0.34 0.17 0.34 0.04 0.00 0.00 177.00 177.23 2jwy s ASP 74 N 1.12 4.81 0.36 6.66 2.15 0.66 -4.80 116.67 127.64 2jwy s ASP 74 Ca 0.61 -0.71 0.04 0.00 0.43 0.00 0.00 52.55 52.92 2jwy s ASP 74 Cb -0.32 -0.79 0.67 0.00 -0.30 0.00 0.00 42.92 42.18 2jwy s ASP 74 CO 0.29 -0.30 1.96 0.00 -0.17 0.00 0.00 175.17 176.95 2jwy h ALA 75 N 1.49 1.50 0.00 3.66 0.00 -1.99 -2.49 119.26 121.44 2jwy h ALA 75 Ca -0.44 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2jwy h ALA 75 Cb 1.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jwy h ALA 75 CO 0.62 0.39 -1.01 -0.25 0.00 0.00 0.00 179.25 179.00 2jwy n ASP 76 N -4.38 0.70 0.00 0.00 8.00 -1.26 -5.04 116.55 114.57 2jwy n ASP 76 Ca 0.03 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 54.99 2jwy n ASP 76 Cb 0.14 0.90 0.00 0.00 -0.02 0.00 0.00 41.12 42.14 2jwy n ASP 76 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jwy n GLY 77 N 1.44 -1.37 3.11 0.44 0.00 -0.94 -1.16 105.19 106.71 2jwy n GLY 77 Ca 0.03 0.64 -0.12 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 -0.03 -0.24 2.61 2.01 0.13 -0.24 115.64 119.87 2jwy s THR 78 Ca 0.00 0.13 -0.07 0.00 0.31 0.00 0.00 61.69 62.06 2jwy s THR 78 Cb 0.00 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 72.05 2jwy s THR 78 CO 0.00 0.05 0.06 0.42 -0.69 0.00 0.00 174.62 174.46 2jwy s THR 79 N 1.25 4.21 0.16 -0.82 -4.23 0.82 -0.03 115.64 117.00 2jwy s THR 79 Ca -0.09 -0.21 0.05 0.00 -1.18 0.00 0.00 61.69 60.27 2jwy s THR 79 Cb -0.10 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 2jwy s THR 79 CO -0.09 0.35 -0.12 -1.48 -0.54 0.00 0.00 174.62 172.75 2jwy s LEU 80 N 1.55 2.52 -0.42 4.79 0.05 -0.71 -0.86 118.68 125.60 2jwy s LEU 80 Ca 0.06 -0.98 -0.13 0.00 0.05 0.00 0.00 54.13 53.13 2jwy s LEU 80 Cb -0.15 -0.45 0.04 0.00 -2.05 0.00 0.00 46.19 43.58 2jwy s LEU 80 CO 0.03 -0.27 0.30 -0.89 -0.55 0.00 0.00 176.35 174.97 2jwy s THR 81 N -3.05 4.96 -0.54 5.48 2.01 0.14 0.46 115.64 125.09 2jwy s THR 81 Ca 0.17 -0.90 -0.26 0.00 0.31 0.00 0.00 61.69 61.01 2jwy s THR 81 Cb 0.01 -3.84 0.04 0.00 0.01 0.00 0.00 72.50 68.71 2jwy s THR 81 CO 0.02 -0.38 1.02 -0.22 -0.69 0.00 0.00 174.62 174.37 2jwy s LEU 82 N 1.61 3.88 -0.21 4.42 1.98 0.72 -2.24 118.68 128.84 2jwy s LEU 82 Ca 0.04 -0.12 -0.14 0.00 -2.89 0.00 0.00 54.13 51.01 2jwy s LEU 82 Cb -0.21 -3.00 -0.04 0.00 0.66 0.00 0.00 46.19 43.59 2jwy s LEU 82 CO 0.07 -1.28 0.32 -0.13 -1.89 0.00 0.00 176.35 173.45 2jwy s ARG 83 N 4.24 4.16 -0.35 1.98 0.52 -0.83 -0.93 118.95 127.74 2jwy s ARG 83 Ca 0.36 0.06 -0.00 0.00 -0.52 0.00 0.00 55.73 55.62 2jwy s ARG 83 Cb -0.10 -3.52 0.09 0.00 0.52 0.00 0.00 34.95 31.93 2jwy s ARG 83 CO 0.22 0.02 0.09 0.42 0.02 0.00 0.00 175.30 176.07 2jwy s ILE 84 N 1.14 2.85 -0.13 1.52 1.09 0.10 -2.14 121.20 125.64 2jwy s ILE 84 Ca 0.16 -1.93 -0.04 0.00 -1.10 0.00 0.00 60.65 57.73 2jwy s ILE 84 Cb -0.14 -2.89 -0.03 0.00 -1.06 0.00 0.00 42.46 38.33 2jwy s ILE 84 CO 0.06 -0.47 0.01 -1.10 -0.10 0.00 0.00 174.94 173.35 2jwy s GLN 85 N 1.10 3.44 0.35 2.79 1.11 -0.10 -0.90 119.66 127.44 2jwy s GLN 85 Ca 0.04 -0.41 -0.27 0.00 0.01 0.00 0.00 55.36 54.73 2jwy s GLN 85 Cb -0.21 -2.94 -0.09 0.00 -1.01 0.00 0.00 33.01 28.76 2jwy s GLN 85 CO -0.05 0.47 1.13 0.20 0.01 0.00 0.00 175.29 177.06 2jwy s GLY 86 N -0.23 2.93 0.33 3.09 0.00 -0.51 -0.09 107.32 112.84 2jwy s GLY 86 Ca 0.06 0.92 0.02 0.00 0.00 0.00 0.00 44.72 45.72 2jwy s GLY 86 CO 0.02 1.47 1.93 -2.09 0.00 0.00 0.00 173.10 174.42 2jwy h GLU 87 N 3.13 0.72 -5.92 2.90 4.81 -1.74 -3.43 114.58 115.06 2jwy h GLU 87 Ca -0.48 -0.10 -0.62 0.00 -0.13 0.00 0.00 59.36 58.03 2jwy h GLU 87 Cb 1.22 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.43 2jwy h GLU 87 CO 0.64 0.59 -0.49 -1.12 -0.73 0.00 0.00 179.01 177.90 2jwy s SER 88 N -6.60 6.37 0.42 1.04 0.01 -1.26 -5.00 113.70 108.68 2jwy s SER 88 Ca -0.09 0.29 0.29 0.00 1.31 0.00 0.00 55.95 57.75 2jwy s SER 88 Cb 0.16 -1.97 1.27 0.00 0.21 0.00 0.00 66.02 65.70 2jwy s SER 88 CO 0.77 0.17 1.88 -1.13 0.41 0.00 0.00 173.24 175.34 2jwy h ASN 89 N 3.10 0.00 -2.75 2.44 -0.73 -2.00 -3.42 115.58 112.22 2jwy h ASN 89 Ca -0.45 0.00 -0.59 0.00 1.87 0.00 0.00 56.30 57.13 2jwy h ASN 89 Cb 1.16 0.00 0.09 0.00 0.27 0.00 0.00 38.32 39.84 2jwy h ASN 89 CO 0.76 0.00 0.53 0.47 -0.37 0.00 0.00 177.43 178.81 2jwy n ASP 90 N -2.67 2.54 -4.64 1.15 9.92 -1.26 -3.95 116.55 117.64 2jwy n ASP 90 Ca 0.01 1.16 -0.43 0.00 -0.53 0.00 0.00 54.79 55.00 2jwy n ASP 90 Cb 0.24 -1.41 -0.03 0.00 -0.64 0.00 0.00 41.12 39.28 2jwy n ASP 90 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2jwy s PRO 91 N -0.83 3.92 0.30 -0.24 0.04 -1.26 -4.37 135.00 132.56 2jwy s PRO 91 Ca 0.65 2.00 -0.17 0.00 0.04 0.00 0.00 61.00 63.52 2jwy s PRO 91 Cb -0.65 -4.06 -0.09 0.00 0.04 0.00 0.00 34.50 29.74 2jwy s PRO 91 CO 0.53 -1.16 0.75 -0.51 0.04 0.00 0.00 177.00 176.66 2jwy s LEU 92 N 4.95 4.15 1.08 -3.56 1.43 -1.26 -4.90 118.68 120.56 2jwy s LEU 92 Ca 0.77 1.37 -0.17 0.00 -1.03 0.00 0.00 54.13 55.06 2jwy s LEU 92 Cb -0.31 -3.96 0.23 0.00 0.03 0.00 0.00 46.19 42.18 2jwy s LEU 92 CO 0.31 -0.14 1.18 -2.16 0.23 0.00 0.00 176.35 175.77 2jwy s PRO 93 N -2.66 -0.22 0.28 1.29 0.04 -1.26 -0.90 135.00 131.57 2jwy s PRO 93 Ca 0.51 -0.08 -0.29 0.00 0.04 0.00 0.00 61.00 61.18 2jwy s PRO 93 Cb -0.12 -1.71 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 2jwy s PRO 93 CO 0.18 -3.04 1.07 0.00 0.04 0.00 0.00 177.00 175.25 2jwy s ALA 94 N -3.31 3.37 0.19 8.56 0.00 -1.26 -4.54 121.76 124.78 2jwy s ALA 94 Ca 0.70 0.85 -0.03 0.00 0.00 0.00 0.00 51.96 53.48 2jwy s ALA 94 Cb -0.09 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2jwy s ALA 94 CO 0.55 -0.11 0.16 -0.59 0.00 0.00 0.00 175.76 175.77 2jwy s PHE 95 N -1.20 0.95 -0.04 0.00 -0.71 -1.08 -1.87 117.98 114.02 2jwy s PHE 95 Ca 0.45 -1.23 -0.09 0.00 -1.04 0.00 0.00 56.93 55.02 2jwy s PHE 95 Cb -0.30 -0.42 0.02 0.00 -1.21 0.00 0.00 43.02 41.10 2jwy s PHE 95 CO 0.39 -0.66 0.22 -1.54 -1.34 0.00 0.00 175.22 172.29 2jwy s SER 96 N -3.11 -0.15 0.05 1.98 1.04 0.67 -1.10 113.70 113.09 2jwy s SER 96 Ca 0.32 0.18 -0.05 0.00 0.48 0.00 0.00 55.95 56.89 2jwy s SER 96 Cb 0.06 0.36 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 2jwy s SER 96 CO 0.09 -0.25 0.08 -0.83 0.98 0.00 0.00 173.24 173.31 2jwy s GLY 97 N -0.65 0.23 -0.48 7.32 0.00 -0.69 -0.28 107.32 112.78 2jwy s GLY 97 Ca -0.07 -0.72 -0.16 0.00 0.00 0.00 0.00 44.72 43.77 2jwy s GLY 97 CO 0.02 -0.87 0.40 -1.59 0.00 0.00 0.00 173.10 171.06 2jwy s THR 98 N -3.18 5.23 -0.18 0.90 2.01 -0.48 -0.74 115.64 119.20 2jwy s THR 98 Ca -0.00 -1.07 -0.19 0.00 0.31 0.00 0.00 61.69 60.73 2jwy s THR 98 Cb 0.02 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 2jwy s THR 98 CO -0.07 -0.59 0.54 0.68 -0.69 0.00 0.00 174.62 174.48 2jwy s VAL 99 N 1.65 5.10 -0.32 3.82 -7.23 0.31 -3.59 120.40 120.14 2jwy s VAL 99 Ca 0.04 1.01 -0.07 0.00 -1.81 0.00 0.00 61.98 61.16 2jwy s VAL 99 Cb -0.24 -3.86 0.02 0.00 0.56 0.00 0.00 36.38 32.85 2jwy s VAL 99 CO 0.07 0.19 0.10 -1.61 -0.31 0.00 0.00 175.10 173.54 2jwy s GLU 100 N 1.47 2.90 -0.02 4.82 2.02 -0.20 -0.36 118.70 129.33 2jwy s GLU 100 Ca 0.26 -0.99 0.05 0.00 0.02 0.00 0.00 54.97 54.31 2jwy s GLU 100 Cb -0.16 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.61 2jwy s GLU 100 CO 0.10 -0.54 -0.18 1.52 0.02 0.00 0.00 175.26 176.18 2jwy s TYR 101 N 1.47 2.58 0.00 1.61 1.13 -0.32 -0.84 117.35 122.98 2jwy s TYR 101 Ca 0.01 -0.25 0.00 0.00 -1.41 0.00 0.00 57.07 55.42 2jwy s TYR 101 Cb -0.18 -1.56 0.00 0.00 -1.10 0.00 0.00 41.96 39.12 2jwy s TYR 101 CO 0.03 0.15 0.00 0.41 -2.51 0.00 0.00 175.55 173.63 2jwy n GLY 102 N 2.15 2.70 3.17 5.49 0.00 -0.52 -1.16 105.19 117.02 2jwy n GLY 102 Ca -0.17 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 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 3.06 1.12 -0.36 1.61 -0.21 0.65 -0.20 119.66 125.33 2jwy s GLN 103 Ca 0.00 -0.76 -0.02 0.00 0.02 0.00 0.00 55.36 54.60 2jwy s GLN 103 Cb 0.00 -1.15 0.09 0.00 1.00 0.00 0.00 33.01 32.95 2jwy s GLN 103 CO 0.00 0.29 0.12 0.42 -2.12 0.00 0.00 175.29 174.00 2jwy s ILE 104 N -0.72 3.11 -1.25 1.08 1.01 -1.26 -0.79 121.20 122.38 2jwy s ILE 104 Ca 0.04 -1.81 0.12 0.00 0.00 0.00 0.00 60.65 59.00 2jwy s ILE 104 Cb -0.08 -3.01 0.48 0.00 0.01 0.00 0.00 42.46 39.86 2jwy s ILE 104 CO 0.01 -0.46 1.33 0.00 0.00 0.00 0.00 174.94 175.82 2jwy n GLN 105 N 4.58 2.83 -2.07 2.79 10.64 -1.21 -4.94 117.38 130.01 2jwy n GLN 105 Ca -0.06 -1.88 -0.01 0.00 -1.83 0.00 0.00 57.00 53.22 2jwy n GLN 105 Cb 0.42 -1.69 -0.00 0.00 -0.86 0.00 0.00 30.24 28.11 2jwy n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jwy n GLY 106 N 0.83 4.15 3.24 2.61 0.00 -1.26 -4.85 105.19 109.92 2jwy n GLY 106 Ca 0.17 -2.12 -0.18 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.03 0.00 0.18 2.61 -2.24 0.34 -4.77 114.28 110.37 2jwy n THR 107 Ca -0.00 -1.67 0.04 0.00 -2.27 0.00 0.00 64.05 60.15 2jwy n THR 107 Cb 0.02 -0.46 0.47 0.00 -2.10 0.00 0.00 70.33 68.26 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 0.23 1.13 0.19 2.28 1.08 -2.00 -2.73 117.51 117.70 2jwy h ILE 108 Ca -0.24 -0.61 -0.01 0.00 -0.39 0.00 0.00 64.86 63.61 2jwy h ILE 108 Cb 1.05 1.23 0.00 0.00 -3.07 0.00 0.00 36.82 36.03 2jwy h ILE 108 CO 0.36 0.18 -0.09 0.44 -0.69 0.00 0.00 178.15 178.35 2jwy h ASP 109 N 0.10 -0.22 -3.32 1.72 5.19 -2.03 -3.43 116.42 114.43 2jwy h ASP 109 Ca 0.02 -0.26 -0.60 0.00 -0.62 0.00 0.00 57.03 55.57 2jwy h ASP 109 Cb 0.30 0.06 -0.40 0.00 0.18 0.00 0.00 39.33 39.46 2jwy h ASP 109 CO 0.02 0.32 -0.75 0.54 -3.12 0.00 0.00 179.24 176.26 2jwy s ASN 110 N -5.39 4.11 -0.11 6.45 4.22 -1.18 -5.11 114.94 117.92 2jwy s ASN 110 Ca -0.10 -1.91 0.01 0.00 -2.14 0.00 0.00 52.86 48.71 2jwy s ASN 110 Cb 0.00 -1.04 -0.02 0.00 1.28 0.00 0.00 41.25 41.48 2jwy s ASN 110 CO 0.38 -0.38 -0.13 0.72 -2.04 0.00 0.00 177.10 175.65 2jwy s PHE 111 N 1.26 2.80 -0.29 1.54 -0.71 -1.04 -0.51 117.98 121.04 2jwy s PHE 111 Ca 0.11 -0.51 -0.07 0.00 -1.04 0.00 0.00 56.93 55.42 2jwy s PHE 111 Cb -0.19 -1.80 -0.00 0.00 -1.21 0.00 0.00 43.02 39.82 2jwy s PHE 111 CO -0.18 -0.10 0.09 -0.65 -1.34 0.00 0.00 175.22 173.04 2jwy s GLN 112 N 0.09 3.23 -0.75 1.99 -0.21 -1.26 -4.91 119.66 117.85 2jwy s GLN 112 Ca -0.05 -0.76 -0.26 0.00 0.02 0.00 0.00 55.36 54.30 2jwy s GLN 112 Cb -0.15 -3.39 0.00 0.00 1.00 0.00 0.00 33.01 30.48 2jwy s GLN 112 CO 0.04 -0.39 1.61 -1.21 -2.12 0.00 0.00 175.29 173.22 2jwy s GLU 113 N 1.54 2.94 0.20 2.91 2.02 -1.26 -3.29 118.70 123.77 2jwy s GLU 113 Ca 0.04 -0.03 0.07 0.00 0.02 0.00 0.00 54.97 55.06 2jwy s GLU 113 Cb -0.17 -4.52 -0.04 0.00 0.10 0.00 0.00 34.13 29.50 2jwy s GLU 113 CO 0.03 -2.54 0.08 0.96 0.02 0.00 0.00 175.26 173.81 2jwy s ILE 114 N 7.48 4.04 -1.47 -1.63 -4.36 0.03 -4.67 121.20 120.62 2jwy s ILE 114 Ca 0.53 -1.41 -0.07 0.00 -0.26 0.00 0.00 60.65 59.44 2jwy s ILE 114 Cb -0.09 -3.10 0.03 0.00 1.25 0.00 0.00 42.46 40.56 2jwy s ILE 114 CO 0.12 -0.21 0.69 0.59 0.24 0.00 0.00 174.94 176.38 2jwy n ASN 115 N -0.55 -5.50 -4.56 4.36 3.02 -1.26 -0.25 115.26 110.52 2jwy n ASN 115 Ca -0.08 -0.39 -0.40 0.00 -0.03 0.00 0.00 54.58 53.67 2jwy n ASN 115 Cb 0.56 -4.44 -0.09 0.00 -0.61 0.00 0.00 39.78 35.20 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 -3.15 5.15 0.19 2.41 0.11 -1.26 -4.36 120.40 119.48 2jwy s VAL 116 Ca 0.40 0.21 0.09 0.00 -2.93 0.00 0.00 61.98 59.75 2jwy s VAL 116 Cb -0.19 -3.81 -0.04 0.00 -1.53 0.00 0.00 36.38 30.81 2jwy s VAL 116 CO 0.49 -0.05 -0.17 0.00 -3.33 0.00 0.00 175.10 172.04 2jwy s GLN 117 N 2.09 1.33 0.36 1.54 0.00 -0.30 -4.92 119.66 119.76 2jwy s GLN 117 Ca 0.13 -1.49 0.07 0.00 -0.00 0.00 0.00 55.36 54.08 2jwy s GLN 117 Cb -0.16 -1.32 -0.01 0.00 0.00 0.00 0.00 33.01 31.51 2jwy s GLN 117 CO 0.12 0.26 0.44 0.54 0.00 0.00 0.00 175.29 176.64 2jwy s ASN 118 N -2.91 5.61 0.02 12.60 4.22 -1.26 -1.18 114.94 132.04 2jwy s ASN 118 Ca 0.19 -0.39 -0.19 0.00 -2.14 0.00 0.00 52.86 50.33 2jwy s ASN 118 Cb -0.04 -0.95 0.04 0.00 1.28 0.00 0.00 41.25 41.57 2jwy s ASN 118 CO 0.07 -0.52 0.41 -1.58 -2.04 0.00 0.00 177.10 173.45 2jwy s GLN 119 N -4.16 0.86 -0.08 3.55 0.74 0.51 -4.96 119.66 116.13 2jwy s GLN 119 Ca 0.47 -0.24 -0.17 0.00 0.05 0.00 0.00 55.36 55.46 2jwy s GLN 119 Cb -0.08 0.39 -0.05 0.00 1.10 0.00 0.00 33.01 34.37 2jwy s GLN 119 CO 0.30 -0.28 0.45 -0.51 -0.55 0.00 0.00 175.29 174.70 2jwy s LEU 120 N -1.72 4.35 -0.38 3.68 1.43 -1.26 -0.53 118.68 124.25 2jwy s LEU 120 Ca -0.08 0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 53.82 2jwy s LEU 120 Cb -0.02 -2.65 0.07 0.00 0.03 0.00 0.00 46.19 43.62 2jwy s LEU 120 CO 0.01 0.12 0.16 0.27 0.23 0.00 0.00 176.35 177.14 2jwy s ILE 121 N 0.02 3.73 -0.50 -0.59 -4.36 0.08 -4.97 121.20 114.62 2jwy s ILE 121 Ca 0.25 -1.44 -0.14 0.00 -0.26 0.00 0.00 60.65 59.05 2jwy s ILE 121 Cb -0.16 -3.26 0.11 0.00 1.25 0.00 0.00 42.46 40.40 2jwy s ILE 121 CO 0.11 -0.38 0.43 0.20 0.24 0.00 0.00 174.94 175.53 2jwy s ASN 122 N 1.72 6.04 -0.10 4.36 -0.87 -1.26 -1.70 114.94 123.13 2jwy s ASN 122 Ca 0.01 -1.67 -0.06 0.00 -1.57 0.00 0.00 52.86 49.57 2jwy s ASN 122 Cb -0.21 -2.15 -0.04 0.00 -0.02 0.00 0.00 41.25 38.83 2jwy s ASN 122 CO 0.01 -0.75 0.13 0.00 -2.57 0.00 0.00 177.10 173.92 2jwy s ALA 123 N 1.55 3.83 0.96 0.60 0.00 -0.25 -5.02 121.76 123.43 2jwy s ALA 123 Ca 0.04 -0.67 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 2jwy s ALA 123 Cb -0.27 -1.91 0.17 0.00 0.00 0.00 0.00 23.12 21.11 2jwy s ALA 123 CO 0.03 0.63 1.10 -1.25 0.00 0.00 0.00 175.76 176.27 2jwy s PRO 124 N -1.14 0.72 0.18 0.00 0.04 -1.26 -2.65 135.00 130.88 2jwy s PRO 124 Ca 0.17 0.54 -0.27 0.00 0.04 0.00 0.00 61.00 61.48 2jwy s PRO 124 Cb -0.12 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 2jwy s PRO 124 CO 0.06 -2.54 0.82 0.00 0.04 0.00 0.00 177.00 175.38 2jwy s ALA 125 N -3.01 3.41 -0.91 8.56 0.00 -1.26 -4.44 121.76 124.11 2jwy s ALA 125 Ca 0.65 0.43 -0.24 0.00 0.00 0.00 0.00 51.96 52.79 2jwy s ALA 125 Cb -0.18 -3.03 0.03 0.00 0.00 0.00 0.00 23.12 19.94 2jwy s ALA 125 CO 0.57 0.25 1.50 -1.12 0.00 0.00 0.00 175.76 176.96 2jwy s SER 126 N -1.07 6.16 0.14 0.00 0.01 -0.08 -4.82 113.70 114.05 2jwy s SER 126 Ca 0.38 -0.99 -0.06 0.00 1.31 0.00 0.00 55.95 56.58 2jwy s SER 126 Cb -0.24 -2.56 -0.05 0.00 0.21 0.00 0.00 66.02 63.38 2jwy s SER 126 CO 0.28 -1.81 1.36 0.58 0.41 0.00 0.00 173.24 174.06 2jwy h VAL 127 N 6.68 1.34 -3.60 3.43 2.07 -1.94 -3.37 116.25 120.86 2jwy h VAL 127 Ca 0.04 -2.14 -0.67 0.00 0.82 0.00 0.00 66.70 64.75 2jwy h VAL 127 Cb 1.03 2.13 -0.17 0.00 -1.52 0.00 0.00 31.29 32.76 2jwy h VAL 127 CO 1.35 0.65 -0.71 -0.76 0.02 0.00 0.00 177.57 178.13 2jwy s LEU 128 N -8.07 3.16 0.27 2.57 1.43 -1.26 -4.98 118.68 111.78 2jwy s LEU 128 Ca -0.07 -0.18 -0.20 0.00 -1.03 0.00 0.00 54.13 52.65 2jwy s LEU 128 Cb 0.09 -1.83 -0.09 0.00 0.03 0.00 0.00 46.19 44.40 2jwy s LEU 128 CO 0.87 0.27 0.77 0.00 0.23 0.00 0.00 176.35 178.49 2jwy s ALA 129 N -1.03 3.35 0.78 4.21 0.00 -1.26 -4.31 121.76 123.50 2jwy s ALA 129 Ca 0.18 0.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.25 2jwy s ALA 129 Cb -0.11 -2.88 0.08 0.00 0.00 0.00 0.00 23.12 20.21 2jwy s ALA 129 CO 0.09 0.29 1.12 -1.25 0.00 0.00 0.00 175.76 176.02 2jwy s PRO 130 N -2.22 1.93 -1.39 0.00 0.04 -1.26 -5.05 135.00 127.05 2jwy s PRO 130 Ca 0.47 -0.10 -0.16 0.00 0.04 0.00 0.00 61.00 61.25 2jwy s PRO 130 Cb -0.15 -2.03 0.05 0.00 0.04 0.00 0.00 34.50 32.40 2jwy s PRO 130 CO 0.20 -1.53 2.03 0.45 0.04 0.00 0.00 177.00 178.19 2jwy n SER 131 N -3.20 4.28 -4.24 6.66 2.88 -1.25 -4.90 113.62 113.85 2jwy n SER 131 Ca 0.09 -2.87 -0.40 0.00 -1.33 0.00 0.00 58.87 54.36 2jwy n SER 131 Cb 0.61 -1.69 -0.10 0.00 -0.75 0.00 0.00 64.21 62.28 2jwy n SER 131 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2jwy s ASP 132 N 3.66 5.61 -0.26 -3.46 1.11 -1.26 -1.42 116.67 120.65 2jwy s ASP 132 Ca 0.50 -1.66 0.02 0.00 0.18 0.00 0.00 52.55 51.59 2jwy s ASP 132 Cb 0.10 -1.98 0.06 0.00 1.07 0.00 0.00 42.92 42.18 2jwy s ASP 132 CO -0.02 -0.58 -0.07 -0.69 1.18 0.00 0.00 175.17 174.99 2jwy s VAL 133 N 1.38 1.91 -0.12 -1.27 1.01 -0.08 -5.01 120.40 118.22 2jwy s VAL 133 Ca 0.04 -1.54 0.02 0.00 0.00 0.00 0.00 61.98 60.50 2jwy s VAL 133 Cb -0.24 -2.12 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 2jwy s VAL 133 CO 0.01 -0.12 -0.19 1.51 0.00 0.00 0.00 175.10 176.30 2jwy s ASP 134 N 1.20 3.42 0.03 3.32 -4.77 -1.26 0.03 116.67 118.65 2jwy s ASP 134 Ca -0.06 -0.49 0.06 0.00 -3.30 0.00 0.00 52.55 48.76 2jwy s ASP 134 Cb -0.19 -1.49 -0.02 0.00 -1.09 0.00 0.00 42.92 40.12 2jwy s ASP 134 CO -0.06 0.13 -0.19 0.27 0.70 0.00 0.00 175.17 176.02 2jwy s ILE 135 N 0.51 1.50 0.68 2.11 -4.36 -0.10 -4.96 121.20 116.59 2jwy s ILE 135 Ca -0.12 -1.09 -0.12 0.00 -0.26 0.00 0.00 60.65 59.06 2jwy s ILE 135 Cb -0.17 -1.31 0.00 0.00 1.25 0.00 0.00 42.46 42.24 2jwy s ILE 135 CO 0.05 0.19 1.07 -2.84 0.24 0.00 0.00 174.94 173.64 2jwy s PRO 136 N -1.05 2.92 -0.24 0.37 0.02 -1.26 -0.20 135.00 135.56 2jwy s PRO 136 Ca 0.06 1.07 -0.04 0.00 0.02 0.00 0.00 61.00 62.11 2jwy s PRO 136 Cb -0.08 -1.98 0.08 0.00 0.02 0.00 0.00 34.50 32.54 2jwy s PRO 136 CO 0.01 -1.12 0.11 -0.51 -0.33 0.00 0.00 177.00 175.17 2jwy s LEU 137 N -5.30 0.51 -0.85 -5.54 1.43 0.17 -4.82 118.68 104.28 2jwy s LEU 137 Ca 0.60 -1.03 -0.24 0.00 -1.03 0.00 0.00 54.13 52.44 2jwy s LEU 137 Cb -0.15 -0.32 0.06 0.00 0.03 0.00 0.00 46.19 45.80 2jwy s LEU 137 CO 0.50 -0.40 1.26 -1.58 0.23 0.00 0.00 176.35 176.36 2jwy s GLN 138 N 2.10 3.37 -0.36 1.70 0.74 -1.26 -1.74 119.66 124.22 2jwy s GLN 138 Ca 0.06 -0.87 -0.29 0.00 0.05 0.00 0.00 55.36 54.32 2jwy s GLN 138 Cb -0.16 -4.70 0.02 0.00 1.10 0.00 0.00 33.01 29.27 2jwy s GLN 138 CO -0.26 -2.06 1.08 -0.51 -0.55 0.00 0.00 175.29 173.00 2jwy s LEU 139 N 4.75 3.86 -0.10 3.68 1.43 0.96 -4.89 118.68 128.37 2jwy s LEU 139 Ca 0.36 0.89 -0.13 0.00 -1.03 0.00 0.00 54.13 54.22 2jwy s LEU 139 Cb -0.06 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.58 2jwy s LEU 139 CO 0.02 -0.97 0.32 -0.54 0.23 0.00 0.00 176.35 175.41 2jwy s LYS 140 N 3.84 4.04 0.00 1.70 1.02 -1.26 -0.69 119.74 128.38 2jwy s LYS 140 Ca 0.46 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.63 2jwy s LYS 140 Cb -0.11 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 2jwy s LYS 140 CO 0.19 0.45 0.00 0.41 -0.92 0.00 0.00 175.35 175.48 2jwy n GLY 141 N 2.70 0.71 3.33 -3.33 0.00 -0.31 -4.96 105.19 103.34 2jwy n GLY 141 Ca -0.13 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.00 -0.01 0.27 -0.61 2.07 -1.26 -5.06 121.20 114.60 2jwy s ILE 142 Ca 0.00 0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.27 2jwy s ILE 142 Cb 0.00 -0.64 -0.04 0.00 0.13 0.00 0.00 42.46 41.90 2jwy s ILE 142 CO 0.00 0.02 0.48 -0.44 -1.91 0.00 0.00 174.94 173.09 2jwy s SER 143 N 0.84 6.38 0.22 4.50 0.01 -1.26 -2.84 113.70 121.54 2jwy s SER 143 Ca -0.05 0.50 -0.08 0.00 1.31 0.00 0.00 55.95 57.63 2jwy s SER 143 Cb -0.06 -2.05 0.29 0.00 0.21 0.00 0.00 66.02 64.41 2jwy s SER 143 CO -0.07 -0.16 1.80 1.62 0.41 0.00 0.00 173.24 176.84 2jwy h VAL 144 N 1.26 0.93 0.00 3.43 3.04 -1.91 0.14 116.25 123.14 2jwy h VAL 144 Ca -0.48 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 2jwy h VAL 144 Cb 1.20 0.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.66 2jwy h VAL 144 CO 0.65 0.12 0.00 -0.67 -1.01 0.00 0.00 177.57 176.67 2jwy n ASP 145 N -4.80 0.48 -0.83 3.17 2.03 -1.26 -1.85 116.55 113.49 2jwy n ASP 145 Ca 0.10 0.65 0.08 0.00 0.52 0.00 0.00 54.79 56.14 2jwy n ASP 145 Cb 0.21 -0.74 0.16 0.00 -0.72 0.00 0.00 41.12 40.04 2jwy n ASP 145 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jwy n GLN 146 N -2.06 2.18 -2.60 -0.67 1.13 0.44 -4.93 117.38 110.87 2jwy n GLN 146 Ca 0.01 -1.97 -0.43 0.00 -1.94 0.00 0.00 57.00 52.67 2jwy n GLN 146 Cb 0.16 -1.37 -0.02 0.00 0.11 0.00 0.00 30.24 29.12 2jwy n GLN 146 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2jwy s LEU 147 N -1.16 3.62 -0.14 1.08 1.43 -0.77 -4.69 118.68 118.05 2jwy s LEU 147 Ca 0.28 0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 53.63 2jwy s LEU 147 Cb 0.16 -3.50 -0.24 0.00 0.03 0.00 0.00 46.19 42.64 2jwy s LEU 147 CO 0.22 -1.28 0.43 1.23 0.23 0.00 0.00 176.35 177.19 2jwy h GLY 148 N 11.29 0.19 -3.96 -3.19 0.00 -0.92 -3.43 103.07 103.05 2jwy h GLY 148 Ca -0.23 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.55 2jwy h GLY 148 CO 1.13 0.41 0.02 -0.11 0.00 0.00 0.00 176.54 178.00 2jwy s PHE 149 N -2.44 -0.45 -0.41 5.60 -0.71 -0.53 -4.52 117.98 114.50 2jwy s PHE 149 Ca -0.23 0.66 0.02 0.00 -1.04 0.00 0.00 56.93 56.34 2jwy s PHE 149 Cb 0.05 0.31 0.12 0.00 -1.21 0.00 0.00 43.02 42.29 2jwy s PHE 149 CO 0.71 -0.57 0.19 0.08 -1.34 0.00 0.00 175.22 174.28 2jwy s VAL 150 N -1.75 1.60 -0.47 -2.49 1.01 0.83 -1.44 120.40 117.69 2jwy s VAL 150 Ca -0.09 -2.42 -0.23 0.00 0.00 0.00 0.00 61.98 59.24 2jwy s VAL 150 Cb -0.01 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.26 2jwy s VAL 150 CO 0.04 -0.80 0.81 -0.60 0.00 0.00 0.00 175.10 174.55 2jwy s ARG 151 N 0.57 3.38 -0.11 2.72 3.52 -0.02 -0.67 118.95 128.35 2jwy s ARG 151 Ca 0.15 -0.16 -0.19 0.00 -0.13 0.00 0.00 55.73 55.39 2jwy s ARG 151 Cb -0.23 -3.97 -0.04 0.00 -1.56 0.00 0.00 34.95 29.16 2jwy s ARG 151 CO -0.06 -1.19 0.54 0.42 -0.81 0.00 0.00 175.30 174.20 2jwy s ILE 152 N 3.38 5.15 0.18 4.11 -1.09 0.40 -1.03 121.20 132.30 2jwy s ILE 152 Ca 0.29 1.08 -0.17 0.00 -2.23 0.00 0.00 60.65 59.62 2jwy s ILE 152 Cb -0.12 -3.87 0.06 0.00 -1.58 0.00 0.00 42.46 36.94 2jwy s ILE 152 CO 0.22 0.30 0.82 0.00 -1.23 0.00 0.00 174.94 175.05 2jwy n HIS 153 N 3.76 -1.36 -2.43 3.97 1.44 -1.24 -0.85 115.22 118.51 2jwy n HIS 153 Ca -0.05 -1.12 -0.15 0.00 -2.01 0.00 0.00 57.72 54.39 2jwy n HIS 153 Cb 0.51 0.55 0.00 0.00 0.12 0.00 0.00 29.99 31.18 2jwy n HIS 153 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2jwy n ASP 154 N -1.21 -4.49 -4.56 4.39 2.03 -1.26 -1.39 116.55 110.06 2jwy n ASP 154 Ca -0.03 -0.07 -0.30 0.00 0.52 0.00 0.00 54.79 54.92 2jwy n ASP 154 Cb 0.48 -3.56 -0.04 0.00 -0.72 0.00 0.00 41.12 37.28 2jwy n ASP 154 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2jwy s ILE 155 N -2.80 3.34 0.03 5.18 -1.09 -1.26 -4.17 121.20 120.43 2jwy s ILE 155 Ca 0.06 -0.12 0.05 0.00 -2.23 0.00 0.00 60.65 58.42 2jwy s ILE 155 Cb -0.03 -3.81 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 2jwy s ILE 155 CO 0.08 -0.77 -0.11 0.00 -1.23 0.00 0.00 174.94 172.91 2jwy s GLN 156 N 7.32 2.36 0.32 2.79 -2.07 0.62 -2.84 119.66 128.15 2jwy s GLN 156 Ca 0.74 -0.84 -0.28 0.00 -1.82 0.00 0.00 55.36 53.16 2jwy s GLN 156 Cb -0.10 -2.38 -0.10 0.00 -1.09 0.00 0.00 33.01 29.34 2jwy s GLN 156 CO 0.09 0.57 1.17 -1.25 -1.32 0.00 0.00 175.29 174.56 2jwy s PRO 157 N -1.50 4.45 -0.27 9.60 0.04 -1.26 -0.24 135.00 145.82 2jwy s PRO 157 Ca 0.17 1.93 0.05 0.00 0.04 0.00 0.00 61.00 63.19 2jwy s PRO 157 Cb -0.11 -3.05 0.52 0.00 0.04 0.00 0.00 34.50 31.89 2jwy s PRO 157 CO 0.07 -0.00 1.57 1.33 0.04 0.00 0.00 177.00 180.01 2jwy n VAL 158 N 0.86 2.38 -4.18 -0.36 0.24 -0.78 -4.86 118.33 111.63 2jwy n VAL 158 Ca 0.00 -1.25 -0.08 0.00 -2.04 0.00 0.00 64.34 60.97 2jwy n VAL 158 Cb 0.44 -0.53 -0.02 0.00 -1.47 0.00 0.00 33.84 32.26 2jwy n VAL 158 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2jwy n MET 159 N -0.30 1.20 -2.50 7.34 2.81 -1.26 -5.03 117.12 119.38 2jwy n MET 159 Ca 0.35 -1.03 -0.42 0.00 -1.81 0.00 0.00 57.70 54.79 2jwy n MET 159 Cb 1.21 0.43 -0.03 0.00 -0.71 0.00 0.00 33.22 34.11 2jwy n MET 159 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 2jwy s GLN 160 N -2.48 4.38 0.02 0.03 2.00 -1.26 -5.04 119.66 117.30 2jwy s GLN 160 Ca 0.03 1.63 0.06 0.00 -2.00 0.00 0.00 55.36 55.08 2jwy s GLN 160 Cb 0.00 -3.53 -0.02 0.00 0.80 0.00 0.00 33.01 30.26 2jwy s GLN 160 CO 0.02 -0.39 -0.17 -0.48 -0.50 0.00 0.00 175.29 173.77 2jwy s LEU 161 N 2.02 2.12 0.36 3.68 2.34 -1.26 -5.16 118.68 122.77 2jwy s LEU 161 Ca 0.55 -0.42 0.07 0.00 0.06 0.00 0.00 54.13 54.39 2jwy s LEU 161 Cb -0.24 -0.83 -0.02 0.00 -0.56 0.00 0.00 46.19 44.54 2jwy s LEU 161 CO 0.22 0.14 0.35 -1.61 -1.06 0.00 0.00 176.35 174.39 2jwy s GLU 162 N -0.86 2.73 -0.34 1.48 2.02 -1.26 -5.11 118.70 117.36 2jwy s GLU 162 Ca 0.06 -1.31 0.01 0.00 0.02 0.00 0.00 54.97 53.74 2jwy s GLU 162 Cb -0.08 -2.51 0.19 0.00 0.10 0.00 0.00 34.13 31.83 2jwy s GLU 162 CO 0.01 0.01 0.77 -1.58 0.02 0.00 0.00 175.26 174.48 2jwy s HIS 163 N -2.33 -1.30 0.24 1.61 2.46 -1.26 -5.16 115.29 109.56 2jwy s HIS 163 Ca 0.44 0.47 -0.30 0.00 0.47 0.00 0.00 55.06 56.14 2jwy s HIS 163 Cb -0.06 0.23 -0.09 0.00 -0.13 0.00 0.00 32.58 32.53 2jwy s HIS 163 CO 0.28 -0.82 1.17 -1.58 -2.47 0.00 0.00 174.74 171.32 2jwy s HIS 164 N 2.35 3.44 -0.19 3.88 2.46 -1.26 -5.00 115.29 120.98 2jwy s HIS 164 Ca 0.16 1.54 -0.29 0.00 0.47 0.00 0.00 55.06 56.94 2jwy s HIS 164 Cb -0.04 -3.40 0.00 0.00 -0.13 0.00 0.00 32.58 29.01 2jwy s HIS 164 CO -0.17 -1.02 1.04 -1.01 -2.47 0.00 0.00 174.74 171.11 2jwy s HIS 165 N -0.66 3.38 -1.13 3.88 3.76 -1.26 -4.99 115.29 118.28 2jwy s HIS 165 Ca 0.49 1.50 -0.12 0.00 -0.15 0.00 0.00 55.06 56.78 2jwy s HIS 165 Cb -0.33 -3.25 0.22 0.00 1.11 0.00 0.00 32.58 30.33 2jwy s HIS 165 CO 0.41 -0.43 1.24 -1.58 -0.85 0.00 0.00 174.74 173.52 2jwy s HIS 166 N 2.81 3.86 -0.46 1.40 2.46 -1.26 -4.83 115.29 119.28 2jwy s HIS 166 Ca 0.46 -2.36 0.25 0.00 0.47 0.00 0.00 55.06 53.88 2jwy s HIS 166 Cb -0.16 -4.07 0.60 0.00 -0.13 0.00 0.00 32.58 28.82 2jwy s HIS 166 CO 0.10 -1.17 1.70 1.25 -2.47 0.00 0.00 174.74 174.15 2jwy h HIS 167 N 7.03 0.00 0.00 3.88 6.17 -2.05 -3.58 115.15 126.60 2jwy h HIS 167 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.31 2jwy h HIS 167 Cb 0.89 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.82 2jwy h HIS 167 CO 0.94 0.00 0.00 1.58 0.71 0.00 0.00 177.93 181.16