#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fby s HIS 37 N 0.00 -0.55 0.95 1.57 -3.43 -1.26 -5.18 115.29 107.40 2fby s HIS 37 Ca 0.00 0.75 -0.12 0.00 -0.80 0.00 0.00 55.06 54.88 2fby s HIS 37 Cb 0.00 0.47 0.16 0.00 -1.43 0.00 0.00 32.58 31.78 2fby s HIS 37 CO 0.00 -0.62 1.11 -1.54 -2.00 0.00 0.00 174.74 171.69 2fby s SER 38 N -1.71 3.12 0.33 7.38 1.04 -1.26 -4.91 113.70 117.69 2fby s SER 38 Ca -0.05 1.09 0.04 0.00 0.48 0.00 0.00 55.95 57.51 2fby s SER 38 Cb -0.00 -1.72 0.57 0.00 0.10 0.00 0.00 66.02 64.97 2fby s SER 38 CO 0.01 -2.81 1.86 0.58 0.98 0.00 0.00 173.24 173.86 2fby h VAL 39 N -1.67 1.20 0.00 5.02 2.07 -2.02 -1.54 116.25 119.31 2fby h VAL 39 Ca -0.52 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 2fby h VAL 39 Cb 1.33 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2fby h VAL 39 CO 0.60 0.28 -0.05 0.15 0.02 0.00 0.00 177.57 178.56 2fby h PHE 40 N 0.53 0.00 -0.17 1.57 3.04 -2.05 -1.35 116.94 118.52 2fby h PHE 40 Ca 0.11 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.06 2fby h PHE 40 Cb 0.34 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.85 2fby h PHE 40 CO 0.01 0.05 0.00 0.39 -2.02 0.00 0.00 178.31 176.74 2fby n GLU 41 N -3.59 2.07 -1.48 1.11 1.02 -0.59 -4.96 120.64 114.22 2fby n GLU 41 Ca -0.02 -1.59 -0.34 0.00 -0.02 0.00 0.00 57.16 55.19 2fby n GLU 41 Cb 0.16 -1.46 0.09 0.00 -0.02 0.00 0.00 31.44 30.20 2fby n GLU 41 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2fby s ASP 42 N -1.73 4.33 -0.15 1.62 -0.00 -0.51 -4.94 116.67 115.28 2fby s ASP 42 Ca 0.34 2.30 -0.29 0.00 -0.00 0.00 0.00 52.55 54.91 2fby s ASP 42 Cb 0.20 -2.58 -0.01 0.00 -0.00 0.00 0.00 42.92 40.53 2fby s ASP 42 CO 0.30 -2.17 0.99 -1.81 -0.00 0.00 0.00 175.17 172.49 2fby s ASP 43 N -2.11 7.16 0.52 0.27 1.01 -1.26 -5.04 116.67 117.22 2fby s ASP 43 Ca 0.73 1.43 -0.00 0.00 0.71 0.00 0.00 52.55 55.42 2fby s ASP 43 Cb -0.28 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 41.13 2fby s ASP 43 CO 0.45 -0.51 0.76 -0.76 0.21 0.00 0.00 175.17 175.31 2fby s LEU 44 N 2.41 3.39 0.58 1.23 1.43 -1.26 -5.06 118.68 121.39 2fby s LEU 44 Ca 0.46 0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 53.56 2fby s LEU 44 Cb -0.17 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 2fby s LEU 44 CO 0.13 -0.99 1.18 -2.84 0.23 0.00 0.00 176.35 174.07 2fby s PRO 45 N -4.73 3.08 0.27 1.29 0.02 -1.26 -4.51 135.00 129.16 2fby s PRO 45 Ca 0.54 1.76 -0.29 0.00 0.02 0.00 0.00 61.00 63.03 2fby s PRO 45 Cb -0.10 -1.95 -0.09 0.00 0.02 0.00 0.00 34.50 32.37 2fby s PRO 45 CO 0.39 -1.10 0.96 -0.06 -0.33 0.00 0.00 177.00 176.86 2fby s PHE 46 N -1.65 3.86 -0.06 6.54 0.40 -1.26 -1.10 117.98 124.71 2fby s PHE 46 Ca 0.76 1.86 -0.30 0.00 -0.60 0.00 0.00 56.93 58.65 2fby s PHE 46 Cb -0.28 -3.01 -0.02 0.00 0.51 0.00 0.00 43.02 40.21 2fby s PHE 46 CO 0.31 0.25 1.06 -1.17 0.70 0.00 0.00 175.22 176.38 2fby s LEU 47 N -1.44 4.29 -0.12 -0.37 2.96 0.27 -4.84 118.68 119.43 2fby s LEU 47 Ca 0.44 1.66 -0.04 0.00 -0.22 0.00 0.00 54.13 55.97 2fby s LEU 47 Cb -0.25 -3.56 0.05 0.00 0.50 0.00 0.00 46.19 42.93 2fby s LEU 47 CO 0.31 -0.44 0.07 -1.61 -1.32 0.00 0.00 176.35 173.37 2fby s GLU 48 N 1.75 0.08 0.13 1.98 2.02 -1.26 -4.45 118.70 118.95 2fby s GLU 48 Ca 0.52 0.08 -0.31 0.00 0.02 0.00 0.00 54.97 55.27 2fby s GLU 48 Cb -0.21 -1.32 -0.09 0.00 0.10 0.00 0.00 34.13 32.61 2fby s GLU 48 CO 0.22 -0.52 1.52 0.12 0.02 0.00 0.00 175.26 176.61 2fby s PHE 49 N 2.12 3.04 -0.20 1.61 2.19 -1.26 -4.90 117.98 120.58 2fby s PHE 49 Ca 0.03 0.70 0.04 0.00 0.33 0.00 0.00 56.93 58.03 2fby s PHE 49 Cb -0.14 -3.85 0.09 0.00 -1.31 0.00 0.00 43.02 37.81 2fby s PHE 49 CO -0.07 -3.11 1.07 0.25 1.83 0.00 0.00 175.22 175.19 2fby n THR 50 N 4.08 1.07 -0.75 0.12 -2.24 -1.26 -4.96 114.28 110.33 2fby n THR 50 Ca 0.13 -1.08 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 2fby n THR 50 Cb 0.40 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 2fby n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2fby n GLY 51 N -0.34 -0.00 3.67 3.38 0.00 -1.26 -5.01 105.19 105.63 2fby n GLY 51 Ca 0.04 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 2fby n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2fby s SER 52 N -1.00 7.12 -0.38 1.61 0.15 -0.18 -4.94 113.70 116.09 2fby s SER 52 Ca 0.00 1.54 -0.09 0.00 0.70 0.00 0.00 55.95 58.10 2fby s SER 52 Cb 0.00 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.81 2fby s SER 52 CO 0.00 -0.59 0.19 -0.63 1.20 0.00 0.00 173.24 173.41 2fby s ILE 53 N 2.67 4.19 -0.39 6.45 1.01 -1.26 -0.95 121.20 132.92 2fby s ILE 53 Ca 0.49 -1.14 -0.21 0.00 0.00 0.00 0.00 60.65 59.78 2fby s ILE 53 Cb -0.19 -3.43 0.01 0.00 0.01 0.00 0.00 42.46 38.87 2fby s ILE 53 CO 0.14 -0.31 0.69 -0.69 0.00 0.00 0.00 174.94 174.77 2fby s VAL 54 N 1.46 4.80 -0.25 2.92 1.01 -0.07 -4.97 120.40 125.29 2fby s VAL 54 Ca 0.01 0.50 -0.11 0.00 0.00 0.00 0.00 61.98 62.38 2fby s VAL 54 Cb -0.21 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 2fby s VAL 54 CO 0.04 -0.48 0.18 -0.47 0.00 0.00 0.00 175.10 174.37 2fby s TYR 55 N 2.91 3.28 -0.06 5.22 5.04 -1.26 -0.17 117.35 132.32 2fby s TYR 55 Ca 0.26 0.20 0.03 0.00 -2.44 0.00 0.00 57.07 55.12 2fby s TYR 55 Cb -0.14 -2.32 0.01 0.00 0.35 0.00 0.00 41.96 39.86 2fby s TYR 55 CO 0.18 -0.02 -0.12 0.45 -1.34 0.00 0.00 175.55 174.69 2fby s SER 56 N 1.32 1.73 -0.04 4.32 0.15 -0.07 -4.99 113.70 116.12 2fby s SER 56 Ca 0.08 -0.29 0.06 0.00 0.70 0.00 0.00 55.95 56.50 2fby s SER 56 Cb -0.14 -0.70 0.10 0.00 -1.71 0.00 0.00 66.02 63.56 2fby s SER 56 CO 0.07 0.06 1.00 0.00 1.20 0.00 0.00 173.24 175.56 2fby n TYR 57 N 3.63 0.00 -4.73 3.44 0.18 -1.26 -0.57 117.16 117.85 2fby n TYR 57 Ca -0.22 -0.37 -0.25 0.00 1.88 0.00 0.00 57.90 58.95 2fby n TYR 57 Cb 0.52 -0.08 -0.16 0.00 -0.38 0.00 0.00 39.34 39.25 2fby n TYR 57 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2fby s ASP 58 N -1.52 1.91 0.13 9.48 1.01 -1.26 -4.08 116.67 122.34 2fby s ASP 58 Ca 0.11 -0.31 -0.27 0.00 0.71 0.00 0.00 52.55 52.79 2fby s ASP 58 Cb 0.09 -0.49 -0.05 0.00 1.01 0.00 0.00 42.92 43.49 2fby s ASP 58 CO 0.01 0.14 1.61 0.00 0.21 0.00 0.00 175.17 177.14 2fby h ALA 59 N 6.22 -0.44 -0.69 5.23 0.00 -1.92 -0.87 119.26 126.79 2fby h ALA 59 Ca -0.33 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2fby h ALA 59 Cb 1.17 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 19.51 2fby h ALA 59 CO 0.48 -0.82 0.15 1.03 0.00 0.00 0.00 179.25 180.09 2fby h SER 60 N -0.45 1.06 0.01 0.00 0.87 -1.98 -0.13 113.55 112.93 2fby h SER 60 Ca 0.07 -0.24 0.03 0.00 -1.23 0.00 0.00 61.79 60.41 2fby h SER 60 Cb 0.55 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 62.20 2fby h SER 60 CO -0.28 1.03 -0.20 -0.78 -0.53 0.00 0.00 176.83 176.07 2fby h ASP 61 N 1.05 -0.58 -0.44 6.23 -0.00 -1.97 -0.85 116.42 119.86 2fby h ASP 61 Ca 0.21 0.08 0.08 0.00 -0.00 0.00 0.00 57.03 57.41 2fby h ASP 61 Cb 0.39 0.24 -0.07 0.00 -0.00 0.00 0.00 39.33 39.89 2fby h ASP 61 CO 0.01 -0.27 0.00 0.00 -0.00 0.00 0.00 179.24 178.98 2fby h SER 63 N 0.11 0.99 -0.24 0.00 0.02 -0.54 0.87 113.55 114.77 2fby h SER 63 Ca 0.22 -0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 61.00 2fby h SER 63 Cb 0.31 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2fby h SER 63 CO -0.36 0.71 -0.37 -0.26 -1.14 0.00 0.00 176.83 175.41 2fby h PHE 64 N 1.17 0.92 -0.88 3.45 0.04 -0.43 -2.50 116.94 118.70 2fby h PHE 64 Ca 0.33 -0.26 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 2fby h PHE 64 Cb -0.10 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 37.81 2fby h PHE 64 CO -0.01 1.03 0.47 -0.07 -0.60 0.00 0.00 178.31 179.12 2fby h LEU 65 N 0.64 1.12 -1.69 1.54 4.07 -0.30 -0.84 115.31 119.85 2fby h LEU 65 Ca 0.06 -0.11 -0.03 0.00 0.08 0.00 0.00 57.88 57.88 2fby h LEU 65 Cb 0.92 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 2fby h LEU 65 CO 0.08 0.91 -0.11 0.28 -1.08 0.00 0.00 178.44 178.52 2fby h SER 66 N 1.24 0.04 0.54 -0.43 0.02 -0.55 -0.74 113.55 113.67 2fby h SER 66 Ca 0.31 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 61.06 2fby h SER 66 Cb 0.05 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2fby h SER 66 CO -0.05 0.17 -0.83 -0.33 -1.14 0.00 0.00 176.83 174.65 2fby h GLU 67 N 0.05 0.21 -0.39 3.45 5.08 -0.77 -1.89 114.58 120.32 2fby h GLU 67 Ca 0.01 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2fby h GLU 67 Cb 0.24 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2fby h GLU 67 CO 0.02 0.93 0.18 -0.44 -1.00 0.00 0.00 179.01 178.69 2fby h ASP 68 N 0.12 0.52 -0.27 1.42 3.32 0.03 -1.17 116.42 120.40 2fby h ASP 68 Ca -0.04 -0.14 0.05 0.00 0.02 0.00 0.00 57.03 56.92 2fby h ASP 68 Cb 1.44 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 40.81 2fby h ASP 68 CO 0.13 0.51 -0.04 0.40 -1.72 0.00 0.00 179.24 178.52 2fby h ILE 69 N 0.48 0.76 -0.01 0.35 2.04 -1.08 -1.48 117.51 118.57 2fby h ILE 69 Ca 0.13 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 2fby h ILE 69 Cb 0.14 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2fby h ILE 69 CO -0.01 0.00 0.00 0.28 0.00 0.00 0.00 178.15 178.42 2fby h SER 70 N 0.03 0.01 1.37 1.72 0.02 -0.92 -1.59 113.55 114.18 2fby h SER 70 Ca 0.13 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 2fby h SER 70 Cb 0.19 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2fby h SER 70 CO -0.26 0.01 -0.32 0.24 -1.14 0.00 0.00 176.83 175.37 2fby h MET 71 N 0.01 0.00 0.00 3.45 2.86 -0.20 -3.18 114.93 117.87 2fby h MET 71 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2fby h MET 71 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2fby h MET 71 CO -0.00 0.32 -0.55 -1.13 1.06 0.00 0.00 176.91 176.60 2fby n SER 72 N -3.26 0.56 -4.81 1.22 3.41 -0.63 -4.94 113.62 105.17 2fby n SER 72 Ca 0.02 -0.06 -0.22 0.00 -0.26 0.00 0.00 58.87 58.35 2fby n SER 72 Cb 0.59 0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 64.69 2fby n SER 72 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2fby s LEU 73 N -3.54 3.39 0.17 1.04 1.43 -1.01 -5.11 118.68 115.04 2fby s LEU 73 Ca 0.09 -0.71 0.07 0.00 -1.03 0.00 0.00 54.13 52.55 2fby s LEU 73 Cb 0.16 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 2fby s LEU 73 CO 0.70 -0.44 -0.15 -0.44 0.23 0.00 0.00 176.35 176.26 2fby s SER 74 N -3.98 2.33 0.22 2.29 0.01 -1.26 -4.96 113.70 108.35 2fby s SER 74 Ca 0.42 -0.93 -0.31 0.00 1.31 0.00 0.00 55.95 56.44 2fby s SER 74 Cb -0.03 -0.11 -0.15 0.00 0.21 0.00 0.00 66.02 65.95 2fby s SER 74 CO 0.25 -0.16 1.15 0.47 0.41 0.00 0.00 173.24 175.36 2fby n ASP 75 N 0.04 1.51 0.00 2.44 10.43 -1.26 -1.47 116.55 128.23 2fby n ASP 75 Ca -0.11 1.15 0.00 0.00 2.57 0.00 0.00 54.79 58.40 2fby n ASP 75 Cb 0.59 -1.27 0.00 0.00 1.84 0.00 0.00 41.12 42.28 2fby n ASP 75 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2fby n GLY 76 N 1.79 3.22 3.65 0.44 0.00 0.52 -5.04 105.19 109.78 2fby n GLY 76 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2fby n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fby n ASP 77 N 0.08 1.01 -4.31 1.61 9.92 -0.54 -4.55 116.55 119.76 2fby n ASP 77 Ca 0.00 0.73 -0.32 0.00 -0.53 0.00 0.00 54.79 54.68 2fby n ASP 77 Cb 0.00 -1.45 -0.16 0.00 -0.64 0.00 0.00 41.12 38.87 2fby n ASP 77 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2fby s VAL 78 N -1.66 2.29 0.14 2.53 1.01 -1.26 -1.02 120.40 122.44 2fby s VAL 78 Ca 0.77 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.85 2fby s VAL 78 Cb -0.37 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2fby s VAL 78 CO 0.47 0.57 -0.17 0.68 0.00 0.00 0.00 175.10 176.64 2fby s VAL 79 N -0.26 2.83 0.21 2.92 -7.23 0.16 -4.91 120.40 114.12 2fby s VAL 79 Ca -0.00 -1.62 -0.28 0.00 -1.81 0.00 0.00 61.98 58.26 2fby s VAL 79 Cb -0.13 -2.33 -0.09 0.00 0.56 0.00 0.00 36.38 34.39 2fby s VAL 79 CO 0.03 0.02 0.88 -0.83 -0.31 0.00 0.00 175.10 174.89 2fby s GLY 80 N -2.37 3.05 0.08 2.32 0.00 0.33 -0.87 107.32 109.86 2fby s GLY 80 Ca 0.20 0.53 0.07 0.00 0.00 0.00 0.00 44.72 45.52 2fby s GLY 80 CO 0.11 1.09 -0.19 -0.12 0.00 0.00 0.00 173.10 173.99 2fby s PHE 81 N -1.14 1.64 -0.01 1.90 5.36 0.51 -1.03 117.98 125.21 2fby s PHE 81 Ca 0.39 -0.41 -0.30 0.00 -0.96 0.00 0.00 56.93 55.66 2fby s PHE 81 Cb -0.25 -0.93 0.10 0.00 -0.34 0.00 0.00 43.02 41.61 2fby s PHE 81 CO 0.30 0.14 1.07 0.34 -1.46 0.00 0.00 175.22 175.61 2fby s ASP 82 N -1.63 -0.19 0.15 6.13 3.68 -1.01 -4.58 116.67 119.22 2fby s ASP 82 Ca 0.05 -0.14 -0.14 0.00 2.13 0.00 0.00 52.55 54.45 2fby s ASP 82 Cb -0.09 0.30 0.02 0.00 -1.45 0.00 0.00 42.92 41.70 2fby s ASP 82 CO 0.03 -0.53 0.39 0.00 0.13 0.00 0.00 175.17 175.19 2fby s MET 83 N -2.84 1.15 0.10 4.34 0.23 -1.26 -0.12 119.30 120.90 2fby s MET 83 Ca 0.10 -0.87 0.03 0.00 -1.03 0.00 0.00 55.69 53.91 2fby s MET 83 Cb 0.00 0.45 -0.04 0.00 -1.53 0.00 0.00 34.83 33.72 2fby s MET 83 CO -0.04 -0.45 -0.08 -1.21 -2.03 0.00 0.00 175.02 171.21 2fby s GLU 84 N -3.86 0.84 0.03 3.16 0.41 -0.13 -4.98 118.70 114.17 2fby s GLU 84 Ca 0.08 -1.24 -0.09 0.00 -0.41 0.00 0.00 54.97 53.31 2fby s GLU 84 Cb 0.02 -0.39 0.00 0.00 -1.78 0.00 0.00 34.13 31.98 2fby s GLU 84 CO -0.07 0.04 0.19 1.67 -0.49 0.00 0.00 175.26 176.59 2fby s TRP 85 N -2.97 0.04 0.84 1.61 -2.14 -1.26 -0.52 118.94 114.54 2fby s TRP 85 Ca 0.08 -0.21 -0.11 0.00 2.66 0.00 0.00 56.10 58.52 2fby s TRP 85 Cb 0.01 -0.03 0.10 0.00 -3.10 0.00 0.00 33.47 30.45 2fby s TRP 85 CO -0.02 -0.39 1.14 -1.25 -2.66 0.00 0.00 176.95 173.77 2fby s PRO 86 N -2.22 1.60 0.18 3.25 0.04 -1.26 -4.52 135.00 132.07 2fby s PRO 86 Ca -0.08 1.49 -0.02 0.00 0.04 0.00 0.00 61.00 62.42 2fby s PRO 86 Cb -0.03 -1.80 0.09 0.00 0.04 0.00 0.00 34.50 32.80 2fby s PRO 86 CO -0.02 -2.19 1.47 -1.00 0.04 0.00 0.00 177.00 175.30 2fby h PRO 87 N -1.33 0.49 -6.85 0.56 0.13 -1.82 -3.32 132.00 119.86 2fby h PRO 87 Ca -0.44 -0.35 -0.53 0.00 -0.87 0.00 0.00 66.00 63.81 2fby h PRO 87 Cb 1.26 0.06 0.07 0.00 0.13 0.00 0.00 31.00 32.52 2fby h PRO 87 CO 0.46 0.96 0.73 -0.51 -0.23 0.00 0.00 178.00 179.41 2fby s LEU 88 N -8.18 4.38 0.48 1.56 1.43 -1.26 -4.71 118.68 112.38 2fby s LEU 88 Ca -0.07 2.79 -0.17 0.00 -1.03 0.00 0.00 54.13 55.66 2fby s LEU 88 Cb 0.11 -3.64 -0.08 0.00 0.03 0.00 0.00 46.19 42.60 2fby s LEU 88 CO 0.84 -0.69 0.95 -0.31 0.23 0.00 0.00 176.35 177.36 2fby s TYR 89 N -0.70 3.43 -0.09 0.29 1.51 -1.26 -3.13 117.35 117.39 2fby s TYR 89 Ca 0.54 1.43 -0.01 0.00 -1.01 0.00 0.00 57.07 58.03 2fby s TYR 89 Cb -0.43 -2.75 0.03 0.00 -0.11 0.00 0.00 41.96 38.70 2fby s TYR 89 CO 0.52 -0.28 -0.04 1.21 -1.11 0.00 0.00 175.55 175.86 2fby s ASN 90 N -2.90 1.90 -1.56 2.29 2.47 0.47 -4.87 114.94 112.75 2fby s ASN 90 Ca 0.58 -0.20 -0.03 0.00 0.42 0.00 0.00 52.86 53.63 2fby s ASN 90 Cb -0.10 -0.64 0.03 0.00 -1.45 0.00 0.00 41.25 39.09 2fby s ASN 90 CO 0.28 -0.16 0.19 0.54 -3.72 0.00 0.00 177.10 174.23 2fby n ARG 91 N 5.05 -1.57 -0.71 0.43 1.74 -1.26 -1.01 116.66 119.33 2fby n ARG 91 Ca -0.10 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2fby n ARG 91 Cb 0.50 -3.98 0.00 0.00 -1.02 0.00 0.00 32.46 27.96 2fby n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2fby n GLY 92 N -2.24 0.82 3.36 -0.13 0.00 -1.26 -5.04 105.19 100.70 2fby n GLY 92 Ca -0.26 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 2fby n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fby s LYS 93 N -0.29 1.53 0.76 1.61 -2.85 -0.18 -5.14 119.74 115.19 2fby s LYS 93 Ca 0.00 -1.85 -0.14 0.00 -1.00 0.00 0.00 55.97 52.98 2fby s LYS 93 Cb 0.00 -0.41 0.06 0.00 -2.06 0.00 0.00 37.83 35.42 2fby s LYS 93 CO 0.00 -0.30 1.22 -0.51 0.10 0.00 0.00 175.35 175.86 2fby s LEU 94 N -3.38 3.25 0.59 2.77 1.43 -1.26 -0.39 118.68 121.69 2fby s LEU 94 Ca 0.36 2.41 -0.19 0.00 -1.03 0.00 0.00 54.13 55.68 2fby s LEU 94 Cb 0.07 -4.59 -0.05 0.00 0.03 0.00 0.00 46.19 41.65 2fby s LEU 94 CO 0.15 -2.46 1.00 0.61 0.23 0.00 0.00 176.35 175.88 2fby n GLY 95 N 0.53 -0.23 3.77 -3.19 0.00 -1.18 -4.44 105.19 100.44 2fby n GLY 95 Ca 0.14 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2fby n GLY 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fby s LYS 96 N -2.73 3.98 0.13 1.61 2.20 -1.26 -4.60 119.74 119.07 2fby s LYS 96 Ca 0.75 2.36 -0.35 0.00 -0.36 0.00 0.00 55.97 58.37 2fby s LYS 96 Cb -0.43 -2.83 -0.15 0.00 -1.51 0.00 0.00 37.83 32.91 2fby s LYS 96 CO 0.48 -0.56 1.41 0.28 -0.36 0.00 0.00 175.35 176.60 2fby n VAL 97 N 0.22 0.13 -0.00 4.02 0.31 -1.26 -4.24 118.33 117.51 2fby n VAL 97 Ca 0.03 -0.03 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 2fby n VAL 97 Cb 0.42 -1.10 -0.03 0.00 -0.91 0.00 0.00 33.84 32.21 2fby n VAL 97 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2fby n ALA 98 N 2.70 2.10 -2.90 3.52 0.00 0.32 -4.59 120.51 121.67 2fby n ALA 98 Ca 0.17 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 2fby n ALA 98 Cb 0.24 -0.08 -0.13 0.00 0.00 0.00 0.00 19.45 19.48 2fby n ALA 98 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2fby s LEU 99 N -3.42 2.02 -0.08 0.00 2.96 -0.87 -1.82 118.68 117.47 2fby s LEU 99 Ca -0.01 -0.09 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 2fby s LEU 99 Cb 0.02 0.04 0.02 0.00 0.50 0.00 0.00 46.19 46.77 2fby s LEU 99 CO 0.15 -0.06 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.38 2fby s ILE 100 N -0.28 1.10 -0.07 6.68 1.01 -0.64 -0.95 121.20 128.04 2fby s ILE 100 Ca -0.03 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.21 2fby s ILE 100 Cb -0.02 -1.03 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 2fby s ILE 100 CO -0.00 0.36 -0.16 -1.10 0.00 0.00 0.00 174.94 174.04 2fby s GLN 101 N 0.90 2.78 -0.13 2.79 1.11 0.83 -0.75 119.66 127.20 2fby s GLN 101 Ca -0.10 -0.72 -0.02 0.00 0.01 0.00 0.00 55.36 54.53 2fby s GLN 101 Cb -0.15 -2.42 0.04 0.00 -1.01 0.00 0.00 33.01 29.47 2fby s GLN 101 CO 0.01 0.46 -0.00 -0.51 0.01 0.00 0.00 175.29 175.26 2fby s LEU 102 N -0.32 0.95 -0.35 2.90 1.43 -0.52 -2.40 118.68 120.38 2fby s LEU 102 Ca 0.02 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 52.59 2fby s LEU 102 Cb -0.13 -0.58 -0.01 0.00 0.03 0.00 0.00 46.19 45.50 2fby s LEU 102 CO 0.02 -0.22 0.24 0.00 0.23 0.00 0.00 176.35 176.62 2fby n VAL 104 N 5.10 0.00 -3.75 0.00 0.24 -0.89 -0.51 118.33 118.52 2fby n VAL 104 Ca -0.12 -0.21 -0.03 0.00 -2.04 0.00 0.00 64.34 61.93 2fby n VAL 104 Cb 0.49 1.19 -0.01 0.00 -1.47 0.00 0.00 33.84 34.04 2fby n VAL 104 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2fby s SER 105 N -2.53 -0.16 0.37 -1.34 1.04 -1.20 -4.94 113.70 104.94 2fby s SER 105 Ca 0.15 -0.41 0.27 0.00 0.48 0.00 0.00 55.95 56.45 2fby s SER 105 Cb 0.17 0.47 1.25 0.00 0.10 0.00 0.00 66.02 68.01 2fby s SER 105 CO 0.62 -0.88 1.82 1.05 0.98 0.00 0.00 173.24 176.83 2fby h GLU 106 N 2.00 0.00 -0.13 4.02 4.11 -1.98 -3.02 114.58 119.58 2fby h GLU 106 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.18 2fby h GLU 106 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2fby h GLU 106 CO 0.26 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.21 2fby n SER 107 N -2.48 2.22 -3.69 3.06 3.41 -1.26 -4.69 113.62 110.18 2fby n SER 107 Ca 0.00 -1.82 -0.10 0.00 -0.26 0.00 0.00 58.87 56.69 2fby n SER 107 Cb 0.18 -0.09 -0.11 0.00 -0.26 0.00 0.00 64.21 63.93 2fby n SER 107 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2fby s LYS 108 N -0.87 0.37 -0.02 4.33 2.20 -1.14 -1.01 119.74 123.60 2fby s LYS 108 Ca 0.10 0.81 0.03 0.00 -0.36 0.00 0.00 55.97 56.55 2fby s LYS 108 Cb 0.05 0.02 -0.00 0.00 -1.51 0.00 0.00 37.83 36.39 2fby s LYS 108 CO 0.07 -0.18 -0.10 0.00 -0.36 0.00 0.00 175.35 174.79 2fby s TYR 110 N -0.05 3.22 -0.28 0.00 1.51 0.94 -0.89 117.35 121.80 2fby s TYR 110 Ca 0.01 0.18 0.00 0.00 -1.01 0.00 0.00 57.07 56.25 2fby s TYR 110 Cb -0.06 -1.87 0.05 0.00 -0.11 0.00 0.00 41.96 39.97 2fby s TYR 110 CO -0.00 0.41 -0.06 -0.51 -1.11 0.00 0.00 175.55 174.28 2fby s LEU 111 N -0.59 3.63 -0.50 -1.29 1.43 0.76 -1.43 118.68 120.69 2fby s LEU 111 Ca 0.10 -1.30 -0.12 0.00 -1.03 0.00 0.00 54.13 51.78 2fby s LEU 111 Cb -0.12 -1.63 0.12 0.00 0.03 0.00 0.00 46.19 44.59 2fby s LEU 111 CO 0.02 -0.22 0.41 -0.36 0.23 0.00 0.00 176.35 176.44 2fby s PHE 112 N 1.19 3.35 -1.40 0.29 2.99 0.08 -0.89 117.98 123.58 2fby s PHE 112 Ca -0.07 -1.60 -0.15 0.00 0.00 0.00 0.00 56.93 55.12 2fby s PHE 112 Cb -0.20 -3.61 0.03 0.00 0.00 0.00 0.00 43.02 39.25 2fby s PHE 112 CO -0.03 -1.00 2.14 1.58 -0.00 0.00 0.00 175.22 177.91 2fby n HIS 113 N 5.06 3.61 0.25 0.36 -0.00 0.26 -1.63 115.22 123.14 2fby n HIS 113 Ca -0.11 -2.88 0.14 0.00 0.46 0.00 0.00 57.72 55.34 2fby n HIS 113 Cb 0.41 -2.53 0.82 0.00 -0.12 0.00 0.00 29.99 28.57 2fby n HIS 113 CO 0.00 0.00 0.00 -0.39 0.46 0.00 0.00 176.34 176.41 2fby h VAL 114 N 4.29 0.63 0.00 3.57 -1.51 -1.67 -1.30 116.25 120.25 2fby h VAL 114 Ca 0.54 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 66.00 2fby h VAL 114 Cb 0.68 0.94 -0.00 0.00 -2.13 0.00 0.00 31.29 30.78 2fby h VAL 114 CO 1.82 0.00 -0.03 0.77 -1.23 0.00 0.00 177.57 178.90 2fby h SER 115 N 0.00 0.00 0.08 4.19 4.64 -1.61 -1.19 113.55 119.66 2fby h SER 115 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2fby h SER 115 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2fby h SER 115 CO -0.00 0.03 -0.22 -1.20 -0.87 0.00 0.00 176.83 174.56 2fby n SER 116 N -3.24 1.66 -4.81 4.97 7.64 -0.49 -4.92 113.62 114.43 2fby n SER 116 Ca -0.02 -1.33 -0.38 0.00 1.01 0.00 0.00 58.87 58.15 2fby n SER 116 Cb 0.19 0.18 -0.06 0.00 -1.01 0.00 0.00 64.21 63.50 2fby n SER 116 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2fby s MET 117 N -2.32 4.01 0.41 1.43 1.00 -0.45 -4.80 119.30 118.57 2fby s MET 117 Ca 0.26 0.35 0.08 0.00 0.00 0.00 0.00 55.69 56.38 2fby s MET 117 Cb 0.19 -3.28 0.86 0.00 0.00 0.00 0.00 34.83 32.60 2fby s MET 117 CO 0.46 0.55 2.03 0.66 0.00 0.00 0.00 175.02 178.72 2fby h SER 118 N 5.31 0.40 -5.11 3.03 4.64 -1.90 -3.43 113.55 116.48 2fby h SER 118 Ca -0.49 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 60.67 2fby h SER 118 Cb 1.21 -0.10 -0.18 0.00 -0.31 0.00 0.00 62.40 63.02 2fby h SER 118 CO 0.65 0.34 -0.63 0.68 -0.87 0.00 0.00 176.83 177.00 2fby s VAL 119 N -5.29 0.16 0.03 0.95 -7.23 -1.26 -5.11 120.40 102.64 2fby s VAL 119 Ca -0.08 -1.31 -0.30 0.00 -1.81 0.00 0.00 61.98 58.48 2fby s VAL 119 Cb 0.17 -0.95 -0.06 0.00 0.56 0.00 0.00 36.38 36.10 2fby s VAL 119 CO 0.73 -0.72 1.40 0.12 -0.31 0.00 0.00 175.10 176.31 2fby s PHE 120 N -2.79 2.94 -0.07 2.82 2.19 -1.26 -4.73 117.98 117.07 2fby s PHE 120 Ca -0.03 0.85 -0.32 0.00 0.33 0.00 0.00 56.93 57.75 2fby s PHE 120 Cb -0.00 -3.66 -0.10 0.00 -1.31 0.00 0.00 43.02 37.94 2fby s PHE 120 CO -0.06 -2.42 1.96 -0.35 1.83 0.00 0.00 175.22 176.17 2fby n PRO 121 N 5.04 2.33 -0.29 10.12 -0.04 -1.26 -4.89 135.00 146.01 2fby n PRO 121 Ca 0.13 0.84 0.03 0.00 -0.04 0.00 0.00 63.50 64.45 2fby n PRO 121 Cb 0.43 -2.80 0.23 0.00 -0.04 0.00 0.00 33.50 31.33 2fby n PRO 121 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2fby h GLN 122 N 10.28 1.01 -0.46 0.54 5.75 -1.90 -0.99 115.11 129.34 2fby h GLN 122 Ca -0.47 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 57.90 2fby h GLN 122 Cb 1.26 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 29.56 2fby h GLN 122 CO 0.95 0.67 0.03 0.78 -2.65 0.00 0.00 178.83 178.62 2fby h GLY 123 N 1.04 0.80 1.46 2.39 0.00 -1.90 -1.57 103.07 105.29 2fby h GLY 123 Ca 0.36 -0.50 -0.22 0.00 0.00 0.00 0.00 47.33 46.98 2fby h GLY 123 CO -0.12 0.46 -0.85 -2.00 0.00 0.00 0.00 176.54 174.03 2fby h LEU 124 N 0.70 0.63 -0.40 3.11 5.85 -1.63 -2.07 115.31 121.51 2fby h LEU 124 Ca 0.15 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2fby h LEU 124 Cb 0.38 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2fby h LEU 124 CO 0.01 1.24 0.25 0.50 -0.34 0.00 0.00 178.44 180.10 2fby h LYS 125 N 0.32 0.53 -0.26 1.25 3.64 -0.93 0.32 116.57 121.43 2fby h LYS 125 Ca -0.06 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.17 2fby h LYS 125 Cb 1.46 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 2fby h LYS 125 CO 0.15 0.37 -0.29 0.52 -2.27 0.00 0.00 179.45 177.94 2fby h MET 126 N 0.53 0.53 -0.33 1.90 2.86 -1.28 -0.07 114.93 119.07 2fby h MET 126 Ca 0.14 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 2fby h MET 126 Cb -0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 2fby h MET 126 CO -0.03 0.76 0.04 1.25 1.06 0.00 0.00 176.91 180.00 2fby h LEU 127 N 0.46 0.53 -1.13 1.22 5.85 -1.00 -0.70 115.31 120.54 2fby h LEU 127 Ca 0.06 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.42 2fby h LEU 127 Cb 0.73 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2fby h LEU 127 CO 0.06 0.67 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.44 2fby h LEU 128 N 0.37 0.20 -1.14 2.25 3.38 -0.64 -2.61 115.31 117.13 2fby h LEU 128 Ca 0.10 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2fby h LEU 128 Cb 0.37 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2fby h LEU 128 CO 0.01 0.52 0.00 -0.62 0.09 0.00 0.00 178.44 178.44 2fby n GLU 129 N -4.11 1.76 -2.98 1.13 1.02 -0.07 -0.92 120.64 116.46 2fby n GLU 129 Ca -0.01 -1.13 -0.42 0.00 -0.02 0.00 0.00 57.16 55.58 2fby n GLU 129 Cb 0.40 -1.42 -0.05 0.00 -0.02 0.00 0.00 31.44 30.35 2fby n GLU 129 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2fby s ASN 130 N -1.66 6.50 0.56 1.62 3.04 -0.29 -4.61 114.94 120.10 2fby s ASN 130 Ca 0.34 0.23 0.37 0.00 0.04 0.00 0.00 52.86 53.83 2fby s ASN 130 Cb 0.18 -2.38 1.89 0.00 -1.54 0.00 0.00 41.25 39.40 2fby s ASN 130 CO 0.28 -0.75 2.13 0.11 -3.04 0.00 0.00 177.10 175.83 2fby h LYS 131 N 8.58 0.00 0.00 0.43 1.57 -1.88 -2.44 116.57 122.82 2fby h LYS 131 Ca -0.25 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.50 2fby h LYS 131 Cb 1.09 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 2fby h LYS 131 CO 0.91 0.00 -0.15 0.00 -0.57 0.00 0.00 179.45 179.64 2fby h ALA 132 N 2.02 1.37 -3.18 3.86 0.00 -1.92 -3.41 119.26 118.00 2fby h ALA 132 Ca 0.00 -0.14 -0.65 0.00 0.00 0.00 0.00 54.91 54.12 2fby h ALA 132 Cb 0.15 -0.02 -0.27 0.00 0.00 0.00 0.00 17.79 17.65 2fby h ALA 132 CO 0.00 0.19 -0.74 0.08 0.00 0.00 0.00 179.25 178.78 2fby s VAL 133 N -4.28 3.26 0.05 0.00 1.01 -0.92 -0.35 120.40 119.16 2fby s VAL 133 Ca -0.03 -0.56 -0.20 0.00 0.00 0.00 0.00 61.98 61.19 2fby s VAL 133 Cb 0.14 -2.42 -0.06 0.00 0.00 0.00 0.00 36.38 34.03 2fby s VAL 133 CO 0.62 0.48 0.57 -0.75 0.00 0.00 0.00 175.10 176.02 2fby s LYS 134 N 0.81 4.23 -0.22 2.72 2.20 -0.18 -4.75 119.74 124.55 2fby s LYS 134 Ca -0.03 0.73 -0.02 0.00 -0.36 0.00 0.00 55.97 56.29 2fby s LYS 134 Cb -0.15 -3.27 0.01 0.00 -1.51 0.00 0.00 37.83 32.91 2fby s LYS 134 CO 0.01 0.56 -0.08 0.15 -0.36 0.00 0.00 175.35 175.63 2fby s LYS 135 N -0.84 3.17 -0.04 4.03 3.01 -0.71 -0.67 119.74 127.69 2fby s LYS 135 Ca 0.29 -0.75 -0.02 0.00 -1.01 0.00 0.00 55.97 54.48 2fby s LYS 135 Cb -0.19 -2.91 -0.04 0.00 -1.01 0.00 0.00 37.83 33.68 2fby s LYS 135 CO 0.18 -0.25 0.09 0.00 0.51 0.00 0.00 175.35 175.89 2fby s ALA 136 N 1.40 3.65 -0.08 5.17 0.00 -0.05 -0.94 121.76 130.91 2fby s ALA 136 Ca 0.04 -0.80 -0.31 0.00 0.00 0.00 0.00 51.96 50.89 2fby s ALA 136 Cb -0.15 -1.68 0.10 0.00 0.00 0.00 0.00 23.12 21.40 2fby s ALA 136 CO -0.06 0.67 1.36 0.20 0.00 0.00 0.00 175.76 177.94 2fby s GLY 137 N -1.51 -0.22 -0.15 0.00 0.00 -1.10 -0.36 107.32 103.97 2fby s GLY 137 Ca 0.21 0.19 -0.01 0.00 0.00 0.00 0.00 44.72 45.11 2fby s GLY 137 CO 0.11 6.32 -0.12 0.14 0.00 0.00 0.00 173.10 179.55 2fby s VAL 138 N -2.01 3.06 -0.37 1.40 1.01 -1.26 -0.51 120.40 121.72 2fby s VAL 138 Ca 0.31 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2fby s VAL 138 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 34.08 2fby s VAL 138 CO -0.03 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2fby n GLY 139 N 3.82 0.50 0.21 4.51 0.00 -1.26 -4.93 105.19 108.04 2fby n GLY 139 Ca -0.18 -0.84 0.05 0.00 0.00 0.00 0.00 46.02 45.04 2fby n GLY 139 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2fby h ILE 140 N 0.00 1.09 -0.64 -0.61 2.10 -1.91 -2.24 117.51 115.28 2fby h ILE 140 Ca -0.08 -1.05 -0.02 0.00 1.08 0.00 0.00 64.86 64.79 2fby h ILE 140 Cb 0.54 1.58 -0.03 0.00 -1.09 0.00 0.00 36.82 37.82 2fby h ILE 140 CO 0.11 0.29 0.33 -0.08 -1.08 0.00 0.00 178.15 177.72 2fby h GLU 141 N 0.00 0.90 0.00 2.19 4.81 -1.94 0.57 114.58 121.11 2fby h GLU 141 Ca -0.00 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 2fby h GLU 141 Cb 0.56 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2fby h GLU 141 CO 0.04 0.68 -0.40 0.78 -0.73 0.00 0.00 179.01 179.37 2fby h GLY 142 N 0.97 0.00 1.17 1.92 0.00 -1.81 -2.53 103.07 102.78 2fby h GLY 142 Ca 0.23 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.38 2fby h GLY 142 CO -0.03 0.00 -0.52 -0.55 0.00 0.00 0.00 176.54 175.44 2fby h ASP 143 N 0.00 0.97 -0.21 0.19 3.32 -0.78 -2.45 116.42 117.46 2fby h ASP 143 Ca -0.00 -0.51 0.04 0.00 0.02 0.00 0.00 57.03 56.58 2fby h ASP 143 Cb 0.81 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.04 2fby h ASP 143 CO 0.05 1.31 -0.07 -0.61 -1.72 0.00 0.00 179.24 178.20 2fby h GLN 144 N 0.68 -0.03 -0.03 3.56 4.15 -0.68 0.16 115.11 122.92 2fby h GLN 144 Ca 0.02 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.46 2fby h GLN 144 Cb 1.13 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.81 2fby h GLN 144 CO 0.12 -0.02 -0.05 -1.49 -1.93 0.00 0.00 178.83 175.46 2fby h TRP 145 N -0.03 -0.11 -0.43 3.99 6.55 -1.40 -1.27 115.95 123.24 2fby h TRP 145 Ca 0.11 0.01 -0.07 0.00 0.95 0.00 0.00 58.89 59.88 2fby h TRP 145 Cb 0.19 0.06 -0.02 0.00 -0.86 0.00 0.00 29.16 28.53 2fby h TRP 145 CO -0.24 -0.07 -0.02 -0.22 -1.05 0.00 0.00 178.44 176.84 2fby h LYS 146 N -0.07 0.71 -0.71 0.49 3.64 -1.17 -0.86 116.57 118.60 2fby h LYS 146 Ca 0.03 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 2fby h LYS 146 Cb 0.11 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2fby h LYS 146 CO -0.07 0.74 0.23 1.25 -2.27 0.00 0.00 179.45 179.32 2fby h LEU 147 N 0.66 1.03 -0.17 5.20 5.85 -0.40 0.19 115.31 127.67 2fby h LEU 147 Ca 0.13 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 2fby h LEU 147 Cb 0.44 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2fby h LEU 147 CO 0.02 0.96 -0.03 0.25 -0.34 0.00 0.00 178.44 179.30 2fby h LEU 148 N 1.04 0.31 -0.47 2.25 5.85 -0.84 -0.47 115.31 122.98 2fby h LEU 148 Ca 0.23 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2fby h LEU 148 Cb 0.29 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2fby h LEU 148 CO -0.01 0.59 0.21 0.03 -0.34 0.00 0.00 178.44 178.93 2fby h ARG 149 N 0.03 0.69 -0.00 1.25 2.47 -0.94 0.16 114.38 118.03 2fby h ARG 149 Ca 0.04 -0.11 -0.26 0.00 -1.26 0.00 0.00 59.98 58.39 2fby h ARG 149 Cb 0.45 -0.12 0.02 0.00 -1.65 0.00 0.00 29.97 28.67 2fby h ARG 149 CO 0.01 0.60 -1.03 -0.44 0.56 0.00 0.00 179.97 179.67 2fby h ASP 150 N 0.62 0.89 0.00 7.04 3.32 -0.61 -3.40 116.42 124.27 2fby h ASP 150 Ca 0.16 -0.71 0.00 0.00 0.02 0.00 0.00 57.03 56.50 2fby h ASP 150 Cb 0.15 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.43 2fby h ASP 150 CO -0.02 1.51 0.00 0.49 -1.72 0.00 0.00 179.24 179.50 2fby n PHE 151 N -3.85 0.00 -3.58 4.55 3.01 -0.20 -5.01 117.46 112.39 2fby n PHE 151 Ca -0.11 -0.10 -0.24 0.00 1.01 0.00 0.00 57.45 58.02 2fby n PHE 151 Cb 0.88 -0.01 0.08 0.00 -0.01 0.00 0.00 39.48 40.41 2fby n PHE 151 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2fby n ASP 152 N -0.10 -6.32 -4.51 4.37 2.03 0.54 -4.99 116.55 107.58 2fby n ASP 152 Ca 0.00 -0.53 -0.34 0.00 0.52 0.00 0.00 54.79 54.45 2fby n ASP 152 Cb 0.20 -4.95 -0.12 0.00 -0.72 0.00 0.00 41.12 35.53 2fby n ASP 152 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2fby s ILE 153 N -3.31 3.58 -0.68 5.18 1.01 -1.22 -4.97 121.20 120.79 2fby s ILE 153 Ca 0.58 -0.50 -0.15 0.00 0.00 0.00 0.00 60.65 60.58 2fby s ILE 153 Cb -0.25 -2.50 0.17 0.00 0.01 0.00 0.00 42.46 39.89 2fby s ILE 153 CO 0.71 0.55 0.62 -0.54 0.00 0.00 0.00 174.94 176.29 2fby s LYS 154 N -0.21 3.27 0.10 2.79 1.02 -1.26 -3.16 119.74 122.28 2fby s LYS 154 Ca 0.02 -2.09 -0.33 0.00 0.02 0.00 0.00 55.97 53.59 2fby s LYS 154 Cb -0.13 -4.34 -0.12 0.00 -0.52 0.00 0.00 37.83 32.71 2fby s LYS 154 CO 0.03 -1.30 1.74 -0.11 -0.92 0.00 0.00 175.35 174.78 2fby n LEU 155 N 4.59 3.55 -4.31 3.17 7.94 -1.26 -4.14 117.00 126.54 2fby n LEU 155 Ca -0.00 1.03 -0.31 0.00 -1.11 0.00 0.00 56.01 55.62 2fby n LEU 155 Cb 0.43 -1.46 -0.16 0.00 0.53 0.00 0.00 43.42 42.76 2fby n LEU 155 CO 0.43 -0.05 -0.57 -0.75 -1.11 0.00 0.00 177.39 175.34 2fby s LYS 156 N 2.20 2.13 -0.89 1.96 2.47 -0.10 -4.80 119.74 122.70 2fby s LYS 156 Ca 0.83 -0.92 -0.05 0.00 -1.56 0.00 0.00 55.97 54.26 2fby s LYS 156 Cb -0.61 -2.04 -0.05 0.00 -1.46 0.00 0.00 37.83 33.67 2fby s LYS 156 CO 0.40 0.55 0.79 -1.71 0.16 0.00 0.00 175.35 175.54 2fby n ASN 157 N 2.47 -6.21 -4.77 1.43 4.05 -1.26 -4.57 115.26 106.40 2fby n ASN 157 Ca -0.16 -0.56 -0.23 0.00 0.45 0.00 0.00 54.58 54.08 2fby n ASN 157 Cb 0.51 -4.66 -0.05 0.00 1.23 0.00 0.00 39.78 36.80 2fby n ASN 157 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 2fby s PHE 158 N -3.30 3.01 -0.05 1.20 -0.71 -1.26 -1.74 117.98 115.12 2fby s PHE 158 Ca 0.36 -0.13 0.00 0.00 -1.04 0.00 0.00 56.93 56.13 2fby s PHE 158 Cb -0.05 -1.37 0.02 0.00 -1.21 0.00 0.00 43.02 40.42 2fby s PHE 158 CO 0.65 0.54 -0.03 0.14 -1.34 0.00 0.00 175.22 175.18 2fby s VAL 159 N -2.11 0.49 -0.30 -2.49 -7.23 -0.12 -4.88 120.40 103.76 2fby s VAL 159 Ca 0.32 -0.05 -0.29 0.00 -1.81 0.00 0.00 61.98 60.15 2fby s VAL 159 Cb -0.08 -0.56 0.00 0.00 0.56 0.00 0.00 36.38 36.31 2fby s VAL 159 CO 0.23 0.23 1.31 -0.70 -0.31 0.00 0.00 175.10 175.87 2fby s GLU 160 N 1.22 3.91 0.54 4.82 2.56 -1.26 -2.70 118.70 127.80 2fby s GLU 160 Ca -0.06 1.25 0.23 0.00 0.00 0.00 0.00 54.97 56.39 2fby s GLU 160 Cb -0.14 -3.88 1.44 0.00 2.00 0.00 0.00 34.13 33.55 2fby s GLU 160 CO -0.02 -1.13 2.08 -0.07 -0.56 0.00 0.00 175.26 175.57 2fby h LEU 161 N 10.90 0.00 -1.10 2.70 4.07 -1.19 -1.68 115.31 129.01 2fby h LEU 161 Ca -0.26 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.72 2fby h LEU 161 Cb 1.10 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.79 2fby h LEU 161 CO 1.03 0.00 0.61 0.74 -1.08 0.00 0.00 178.44 179.74 2fby h THR 162 N 0.00 1.19 0.07 0.22 2.02 -1.90 -0.31 112.91 114.20 2fby h THR 162 Ca 0.12 -0.41 -0.26 0.00 0.77 0.00 0.00 66.41 66.63 2fby h THR 162 Cb 0.53 -0.11 0.01 0.00 -1.74 0.00 0.00 68.15 66.84 2fby h THR 162 CO -0.00 0.22 -1.12 0.44 0.37 0.00 0.00 175.52 175.43 2fby h ASP 163 N 1.19 0.60 -0.66 4.18 3.32 -1.70 -2.41 116.42 120.94 2fby h ASP 163 Ca 0.36 -0.54 -0.06 0.00 0.02 0.00 0.00 57.03 56.80 2fby h ASP 163 Cb -0.05 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 2fby h ASP 163 CO -0.10 1.37 0.19 0.58 -1.72 0.00 0.00 179.24 179.56 2fby h VAL 164 N 0.20 1.25 0.10 -1.35 2.07 -1.25 -1.43 116.25 115.83 2fby h VAL 164 Ca -0.13 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 2fby h VAL 164 Cb 1.79 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 2fby h VAL 164 CO 0.20 0.35 -0.05 0.00 0.02 0.00 0.00 177.57 178.09 2fby h ALA 165 N 1.18 -0.13 -1.01 1.67 0.00 -1.07 -0.64 119.26 119.26 2fby h ALA 165 Ca 0.22 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.02 2fby h ALA 165 Cb 0.33 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 2fby h ALA 165 CO -0.00 -0.39 0.65 -0.91 0.00 0.00 0.00 179.25 178.60 2fby h ASN 166 N -0.50 1.02 0.42 0.00 -0.26 -1.40 0.30 115.58 115.15 2fby h ASN 166 Ca -0.01 0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.72 2fby h ASN 166 Cb 0.42 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 2fby h ASN 166 CO 0.02 0.63 -0.20 0.50 -1.06 0.00 0.00 177.43 177.32 2fby h LYS 167 N 1.14 -0.54 0.00 0.81 1.63 -1.15 -1.49 116.57 116.97 2fby h LYS 167 Ca 0.45 0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 60.17 2fby h LYS 167 Cb 0.23 0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.97 2fby h LYS 167 CO -0.19 -0.24 -0.55 0.87 -3.45 0.00 0.00 179.45 175.89 2fby h LYS 168 N -0.83 0.00 -0.01 1.90 1.57 -0.92 -3.14 116.57 115.14 2fby h LYS 168 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2fby h LYS 168 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2fby h LYS 168 CO 0.09 0.55 -0.22 1.28 -0.57 0.00 0.00 179.45 180.59 2fby n LEU 169 N -3.37 0.99 -3.42 2.94 4.32 0.10 -4.97 117.00 113.60 2fby n LEU 169 Ca 0.01 -0.25 -0.20 0.00 -0.02 0.00 0.00 56.01 55.55 2fby n LEU 169 Cb 0.69 -0.12 0.06 0.00 -1.62 0.00 0.00 43.42 42.44 2fby n LEU 169 CO 0.40 0.18 0.01 0.29 -1.22 0.00 0.00 177.39 177.05 2fby n LYS 170 N -0.62 -2.88 -3.57 3.23 5.02 -0.86 -5.01 118.16 113.47 2fby n LYS 170 Ca 0.13 0.75 -0.12 0.00 -2.02 0.00 0.00 58.31 57.04 2fby n LYS 170 Cb 0.34 -5.38 -0.03 0.00 -0.02 0.00 0.00 35.03 29.93 2fby n LYS 170 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2fby n THR 172 N -0.48 -1.11 -4.32 0.00 -1.04 -1.26 -4.54 114.28 101.54 2fby n THR 172 Ca 0.01 -3.52 -0.23 0.00 -2.04 0.00 0.00 64.05 58.27 2fby n THR 172 Cb 0.48 -1.69 -0.08 0.00 -1.82 0.00 0.00 70.33 67.22 2fby n THR 172 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2fby s GLU 173 N -0.19 2.21 -1.02 -2.82 0.41 -1.26 -5.07 118.70 110.96 2fby s GLU 173 Ca 0.33 -1.47 -0.07 0.00 -0.41 0.00 0.00 54.97 53.35 2fby s GLU 173 Cb 0.07 -2.11 0.26 0.00 -1.78 0.00 0.00 34.13 30.57 2fby s GLU 173 CO -0.18 0.36 0.98 0.95 -0.49 0.00 0.00 175.26 176.87 2fby s THR 174 N -2.35 5.48 0.76 3.63 -4.23 -1.26 -4.93 115.64 112.74 2fby s THR 174 Ca 0.31 -3.45 -0.11 0.00 -1.18 0.00 0.00 61.69 57.27 2fby s THR 174 Cb -0.06 -4.33 0.05 0.00 1.34 0.00 0.00 72.50 69.50 2fby s THR 174 CO 0.19 -1.14 1.08 0.26 -0.54 0.00 0.00 174.62 174.47 2fby s TRP 175 N -1.13 2.76 0.15 3.99 0.52 -1.26 -5.09 118.94 118.87 2fby s TRP 175 Ca 0.28 1.45 0.02 0.00 0.02 0.00 0.00 56.10 57.87 2fby s TRP 175 Cb -0.10 -3.01 -0.04 0.00 -1.15 0.00 0.00 33.47 29.17 2fby s TRP 175 CO -0.09 -1.66 -0.04 -1.54 0.02 0.00 0.00 176.95 173.64 2fby s SER 176 N -3.57 1.30 0.22 2.95 1.04 -1.26 -4.95 113.70 109.43 2fby s SER 176 Ca 0.60 -1.09 -0.08 0.00 0.48 0.00 0.00 55.95 55.86 2fby s SER 176 Cb -0.16 0.09 0.23 0.00 0.10 0.00 0.00 66.02 66.27 2fby s SER 176 CO 0.56 -0.49 1.88 0.25 0.98 0.00 0.00 173.24 176.41 2fby h LEU 177 N 2.79 0.89 0.08 2.42 5.85 -1.99 -1.90 115.31 123.46 2fby h LEU 177 Ca -0.36 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 2fby h LEU 177 Cb 1.19 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 2fby h LEU 177 CO 0.64 0.63 -0.05 -1.13 -0.34 0.00 0.00 178.44 178.18 2fby h ASN 178 N 1.05 -0.13 0.16 1.25 -0.00 -1.97 -0.46 115.58 115.49 2fby h ASN 178 Ca 0.32 0.01 -0.03 0.00 -0.00 0.00 0.00 56.30 56.59 2fby h ASN 178 Cb -0.03 0.04 -0.00 0.00 -0.00 0.00 0.00 38.32 38.32 2fby h ASN 178 CO -0.10 -0.08 -0.16 0.77 -0.00 0.00 0.00 177.43 177.86 2fby h SER 179 N -0.13 0.00 0.08 1.15 4.64 -1.88 0.17 113.55 117.58 2fby h SER 179 Ca -0.01 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 2fby h SER 179 Cb 0.11 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2fby h SER 179 CO 0.01 0.16 -0.97 -0.07 -0.87 0.00 0.00 176.83 175.08 2fby h LEU 180 N 0.00 0.81 -0.66 5.97 3.38 -1.05 -0.86 115.31 122.91 2fby h LEU 180 Ca -0.00 -0.62 -0.04 0.00 0.09 0.00 0.00 57.88 57.30 2fby h LEU 180 Cb 0.28 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2fby h LEU 180 CO 0.02 1.42 0.24 0.58 0.09 0.00 0.00 178.44 180.79 2fby h VAL 181 N 0.37 1.24 0.48 1.22 2.07 -0.38 0.09 116.25 121.34 2fby h VAL 181 Ca -0.10 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 2fby h VAL 181 Cb 1.61 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2fby h VAL 181 CO 0.19 0.31 -0.23 0.11 0.02 0.00 0.00 177.57 177.97 2fby h LYS 182 N 0.94 -0.62 -0.87 1.57 1.57 -0.53 0.32 116.57 118.95 2fby h LYS 182 Ca 0.22 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.06 2fby h LYS 182 Cb 0.24 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 2fby h LYS 182 CO -0.01 -0.33 0.56 1.25 -0.57 0.00 0.00 179.45 180.35 2fby h HIS 183 N -0.83 1.06 0.00 -1.35 2.76 -1.08 -0.27 115.15 115.44 2fby h HIS 183 Ca -0.07 0.03 -0.25 0.00 -2.20 0.00 0.00 60.37 57.88 2fby h HIS 183 Cb 0.57 -0.35 -0.04 0.00 1.55 0.00 0.00 27.41 29.13 2fby h HIS 183 CO -0.01 0.63 -1.84 1.28 -1.30 0.00 0.00 177.93 176.69 2fby n LEU 184 N -4.52 0.53 -0.00 0.26 4.77 0.01 -4.62 117.00 113.42 2fby n LEU 184 Ca 0.10 0.24 0.02 0.00 -0.03 0.00 0.00 56.01 56.35 2fby n LEU 184 Cb 0.06 0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 2fby n LEU 184 CO 0.35 0.30 -0.27 0.18 -1.33 0.00 0.00 177.39 176.62 2fby n LEU 185 N -2.83 0.12 -1.43 2.23 4.77 0.11 -5.02 117.00 114.95 2fby n LEU 185 Ca -0.18 -0.26 -0.09 0.00 -0.03 0.00 0.00 56.01 55.45 2fby n LEU 185 Cb 0.97 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.08 2fby n LEU 185 CO 0.44 0.03 0.03 0.61 -1.33 0.00 0.00 177.39 177.16 2fby n GLY 186 N 1.63 0.26 3.38 -0.72 0.00 -0.11 -4.98 105.19 104.64 2fby n GLY 186 Ca 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 2fby n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fby s LYS 187 N -5.13 1.33 0.25 1.61 1.02 -1.22 -4.36 119.74 113.24 2fby s LYS 187 Ca 0.15 -1.42 0.09 0.00 0.02 0.00 0.00 55.97 54.81 2fby s LYS 187 Cb -0.07 0.36 -0.05 0.00 -0.52 0.00 0.00 37.83 37.56 2fby s LYS 187 CO 0.18 -0.50 -0.14 1.14 -0.92 0.00 0.00 175.35 175.12 2fby s GLN 188 N -4.08 1.50 0.29 1.68 -2.07 -0.26 -2.26 119.66 114.46 2fby s GLN 188 Ca 0.29 -1.70 -0.25 0.00 -1.82 0.00 0.00 55.36 51.89 2fby s GLN 188 Cb 0.03 -1.35 -0.09 0.00 -1.09 0.00 0.00 33.01 30.52 2fby s GLN 188 CO 0.09 0.20 0.89 -0.51 -1.32 0.00 0.00 175.29 174.63 2fby s LEU 189 N -3.41 4.37 0.29 2.60 1.43 -1.26 -0.57 118.68 122.13 2fby s LEU 189 Ca 0.26 1.74 -0.29 0.00 -1.03 0.00 0.00 54.13 54.82 2fby s LEU 189 Cb -0.01 -3.86 -0.14 0.00 0.03 0.00 0.00 46.19 42.22 2fby s LEU 189 CO 0.11 -0.02 1.08 0.18 0.23 0.00 0.00 176.35 177.93 2fby n LEU 190 N 0.71 2.11 -0.14 1.79 4.77 -1.26 -4.89 117.00 120.09 2fby n LEU 190 Ca 0.00 1.18 0.03 0.00 -0.03 0.00 0.00 56.01 57.20 2fby n LEU 190 Cb 0.50 -1.32 0.05 0.00 -2.33 0.00 0.00 43.42 40.32 2fby n LEU 190 CO 0.44 -1.20 0.43 2.29 -1.33 0.00 0.00 177.39 178.02 2fby n LYS 191 N 0.83 1.21 -1.87 3.23 2.85 -1.26 -5.02 118.16 118.14 2fby n LYS 191 Ca 0.09 -1.59 -0.42 0.00 -1.05 0.00 0.00 58.31 55.34 2fby n LYS 191 Cb 0.32 -0.98 -0.03 0.00 -0.65 0.00 0.00 35.03 33.70 2fby n LYS 191 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2fby s ASP 192 N -1.48 5.62 0.57 -5.58 -1.08 -1.26 -4.82 116.67 108.63 2fby s ASP 192 Ca 0.11 1.35 0.26 0.00 -0.52 0.00 0.00 52.55 53.75 2fby s ASP 192 Cb 0.10 -2.52 1.65 0.00 -1.46 0.00 0.00 42.92 40.68 2fby s ASP 192 CO 0.01 -1.92 2.20 0.50 0.52 0.00 0.00 175.17 176.48 2fby h LYS 193 N 14.11 0.00 0.00 4.34 3.64 -1.98 0.07 116.57 136.74 2fby h LYS 193 Ca -0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2fby h LYS 193 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2fby h LYS 193 CO 1.04 0.00 0.00 -1.13 -2.27 0.00 0.00 179.45 177.09 2fby n SER 194 N -4.04 0.61 -0.14 4.20 3.41 -1.26 -1.59 113.62 114.81 2fby n SER 194 Ca -0.02 0.63 -0.27 0.00 -0.26 0.00 0.00 58.87 58.95 2fby n SER 194 Cb 0.13 -0.77 -0.10 0.00 -0.26 0.00 0.00 64.21 63.21 2fby n SER 194 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2fby n ILE 195 N -2.15 1.51 -0.16 -1.33 5.41 -0.06 -3.92 119.36 118.66 2fby n ILE 195 Ca 0.03 -0.43 -0.03 0.00 1.00 0.00 0.00 62.75 63.32 2fby n ILE 195 Cb 0.26 -1.76 0.18 0.00 -0.71 0.00 0.00 39.64 37.60 2fby n ILE 195 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2fby h ARG 196 N -0.75 0.89 -0.78 0.38 3.08 -1.35 -2.58 114.38 113.27 2fby h ARG 196 Ca -0.67 -0.17 -0.40 0.00 0.07 0.00 0.00 59.98 58.81 2fby h ARG 196 Cb 1.68 -0.14 -0.24 0.00 0.08 0.00 0.00 29.97 31.36 2fby h ARG 196 CO -0.34 0.77 0.40 0.00 -1.07 0.00 0.00 179.97 179.73 2fby s SER 198 N -1.69 3.72 -1.00 0.00 1.04 -0.97 -4.62 113.70 110.18 2fby s SER 198 Ca 0.53 0.53 -0.23 0.00 0.48 0.00 0.00 55.95 57.26 2fby s SER 198 Cb 0.45 -0.80 0.03 0.00 0.10 0.00 0.00 66.02 65.80 2fby s SER 198 CO 0.07 -2.38 1.56 0.21 0.98 0.00 0.00 173.24 173.68 2fby s ASN 199 N -4.70 6.22 0.29 7.02 3.04 -1.26 -4.29 114.94 121.26 2fby s ASN 199 Ca 0.68 -1.31 0.22 0.00 0.04 0.00 0.00 52.86 52.50 2fby s ASN 199 Cb -0.08 -2.57 1.07 0.00 -1.54 0.00 0.00 41.25 38.14 2fby s ASN 199 CO 0.51 -1.76 1.68 0.79 -3.04 0.00 0.00 177.10 175.28 2fby n TRP 200 N 9.95 0.76 1.32 0.43 7.02 -1.26 -1.53 117.44 134.13 2fby n TRP 200 Ca 0.35 0.35 0.13 0.00 -1.02 0.00 0.00 57.50 57.31 2fby n TRP 200 Cb 0.50 -1.06 0.40 0.00 -2.42 0.00 0.00 31.31 28.73 2fby n TRP 200 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2fby n SER 201 N -2.24 1.37 -4.68 -0.99 3.41 -1.26 -4.74 113.62 104.49 2fby n SER 201 Ca 0.00 -1.23 -0.43 0.00 -0.26 0.00 0.00 58.87 56.96 2fby n SER 201 Cb 0.12 0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 2fby n SER 201 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2fby s LYS 202 N -2.27 4.37 -0.14 4.33 2.36 -0.58 -4.87 119.74 122.94 2fby s LYS 202 Ca 0.30 1.43 -0.06 0.00 -2.55 0.00 0.00 55.97 55.09 2fby s LYS 202 Cb 0.20 -3.58 -0.04 0.00 -1.05 0.00 0.00 37.83 33.36 2fby s LYS 202 CO 0.44 -0.42 0.08 0.12 1.55 0.00 0.00 175.35 177.11 2fby s PHE 203 N 2.38 3.36 0.47 4.03 2.19 -1.26 -3.65 117.98 125.50 2fby s PHE 203 Ca 0.48 0.28 -0.00 0.00 0.33 0.00 0.00 56.93 58.02 2fby s PHE 203 Cb -0.18 -1.96 -0.00 0.00 -1.31 0.00 0.00 43.02 39.56 2fby s PHE 203 CO 0.15 0.45 0.70 -1.25 1.83 0.00 0.00 175.22 177.11 2fby s PRO 204 N -0.44 3.04 0.57 10.12 0.04 -1.26 -5.13 135.00 141.94 2fby s PRO 204 Ca 0.10 -0.43 -0.20 0.00 0.04 0.00 0.00 61.00 60.51 2fby s PRO 204 Cb -0.12 -2.52 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 2fby s PRO 204 CO 0.02 -0.34 1.22 -0.51 0.04 0.00 0.00 177.00 177.43 2fby s LEU 205 N -4.62 3.73 0.69 -3.56 1.02 -1.24 -5.01 118.68 109.69 2fby s LEU 205 Ca 0.49 2.41 -0.10 0.00 0.02 0.00 0.00 54.13 56.95 2fby s LEU 205 Cb -0.10 -4.53 0.02 0.00 0.02 0.00 0.00 46.19 41.61 2fby s LEU 205 CO 0.39 -1.50 1.06 0.42 0.02 0.00 0.00 176.35 176.74 2fby s THR 206 N -1.56 3.27 0.40 5.49 -4.23 -1.26 -4.87 115.64 112.87 2fby s THR 206 Ca 0.75 0.26 0.06 0.00 -1.18 0.00 0.00 61.69 61.59 2fby s THR 206 Cb -0.31 -3.38 0.25 0.00 1.34 0.00 0.00 72.50 70.40 2fby s THR 206 CO 0.34 -0.47 2.04 -0.08 -0.54 0.00 0.00 174.62 175.91 2fby h GLU 207 N -0.59 0.56 -0.32 3.99 4.81 -1.99 -0.88 114.58 120.16 2fby h GLU 207 Ca -0.45 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.68 2fby h GLU 207 Cb 1.27 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2fby h GLU 207 CO 0.63 0.39 -0.03 -0.44 -0.73 0.00 0.00 179.01 178.84 2fby h ASP 208 N 0.57 0.58 -0.61 1.04 3.32 -1.99 -0.58 116.42 118.75 2fby h ASP 208 Ca 0.15 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 2fby h ASP 208 Cb -0.02 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 2fby h ASP 208 CO -0.03 0.77 0.35 1.56 -1.72 0.00 0.00 179.24 180.17 2fby h GLN 209 N 0.37 0.84 -0.49 3.56 4.20 -1.75 -0.62 115.11 121.22 2fby h GLN 209 Ca 0.09 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2fby h GLN 209 Cb 0.49 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 2fby h GLN 209 CO 0.02 0.62 0.30 0.87 -0.67 0.00 0.00 178.83 179.98 2fby h LYS 210 N 0.83 0.65 -0.09 1.46 1.57 -1.04 -0.73 116.57 119.22 2fby h LYS 210 Ca 0.22 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2fby h LYS 210 Cb 0.02 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 2fby h LYS 210 CO -0.04 0.46 0.05 1.25 -0.57 0.00 0.00 179.45 180.61 2fby h LEU 211 N 0.65 0.10 0.05 2.94 5.85 -0.71 -1.24 115.31 122.96 2fby h LEU 211 Ca 0.18 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.85 2fby h LEU 211 Cb -0.03 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2fby h LEU 211 CO -0.03 0.13 -0.07 1.88 -0.34 0.00 0.00 178.44 180.00 2fby h TYR 212 N 0.07 -0.18 -0.42 1.25 -1.99 -0.92 -1.32 116.97 113.47 2fby h TYR 212 Ca 0.03 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 2fby h TYR 212 Cb 0.05 0.07 -0.02 0.00 2.00 0.00 0.00 36.73 38.83 2fby h TYR 212 CO -0.05 -0.11 0.18 0.00 -0.00 0.00 0.00 178.16 178.17 2fby h ALA 213 N 0.79 0.54 -0.55 3.88 0.00 -1.10 -2.41 119.26 120.41 2fby h ALA 213 Ca 0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2fby h ALA 213 Cb 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2fby h ALA 213 CO -0.04 0.14 0.19 0.00 0.00 0.00 0.00 179.25 179.54 2fby h ALA 214 N 1.02 0.72 -0.60 0.00 0.00 -1.17 -3.04 119.26 116.19 2fby h ALA 214 Ca 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2fby h ALA 214 Cb 0.17 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2fby h ALA 214 CO -0.01 0.36 0.20 1.15 0.00 0.00 0.00 179.25 180.95 2fby h THR 215 N 0.76 1.22 -0.73 0.00 2.02 -1.12 -0.34 112.91 114.72 2fby h THR 215 Ca 0.18 -0.75 -0.05 0.00 0.77 0.00 0.00 66.41 66.55 2fby h THR 215 Cb 0.25 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 2fby h THR 215 CO -0.01 0.29 0.26 0.44 0.37 0.00 0.00 175.52 176.87 2fby h ASP 216 N 0.87 1.05 0.07 4.18 3.32 -1.33 0.88 116.42 125.45 2fby h ASP 216 Ca 0.20 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 2fby h ASP 216 Cb 0.23 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2fby h ASP 216 CO -0.01 0.96 -0.49 0.00 -1.72 0.00 0.00 179.24 177.97 2fby h ALA 217 N 1.13 0.81 -0.82 3.45 0.00 -1.39 -2.74 119.26 119.70 2fby h ALA 217 Ca 0.24 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2fby h ALA 217 Cb 0.27 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2fby h ALA 217 CO -0.01 0.67 0.35 -0.92 0.00 0.00 0.00 179.25 179.34 2fby h TYR 218 N 0.38 1.23 -0.33 0.00 3.20 -0.55 -2.10 116.97 118.80 2fby h TYR 218 Ca 0.02 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.82 2fby h TYR 218 Cb 1.01 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 2fby h TYR 218 CO 0.04 0.91 0.19 0.00 -1.64 0.00 0.00 178.16 177.66 2fby h ALA 219 N 1.19 0.41 -1.01 1.82 0.00 -0.62 -0.75 119.26 120.30 2fby h ALA 219 Ca 0.28 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.21 2fby h ALA 219 Cb 0.19 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2fby h ALA 219 CO -0.03 -0.17 0.66 0.78 0.00 0.00 0.00 179.25 180.50 2fby h GLY 220 N 0.39 1.47 0.77 0.00 0.00 -1.18 0.27 103.07 104.79 2fby h GLY 220 Ca 0.13 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 2fby h GLY 220 CO -0.06 0.44 -0.04 -2.75 0.00 0.00 0.00 176.54 174.13 2fby h PHE 221 N 1.28 0.35 -0.47 5.60 3.04 -0.88 -2.44 116.94 123.42 2fby h PHE 221 Ca 0.40 -0.08 -0.09 0.00 3.98 0.00 0.00 57.97 62.18 2fby h PHE 221 Cb -0.01 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.39 2fby h PHE 221 CO -0.00 0.59 -0.07 0.82 -2.02 0.00 0.00 178.31 177.63 2fby h ILE 222 N 0.01 1.27 -0.34 1.41 1.08 -0.93 -1.77 117.51 118.24 2fby h ILE 222 Ca 0.04 -1.18 0.00 0.00 -0.39 0.00 0.00 64.86 63.33 2fby h ILE 222 Cb 0.48 1.07 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 2fby h ILE 222 CO 0.02 0.41 0.22 0.40 -0.69 0.00 0.00 178.15 178.50 2fby h ILE 223 N 0.73 1.10 -0.06 -0.67 2.04 -0.99 0.25 117.51 119.92 2fby h ILE 223 Ca 0.13 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 2fby h ILE 223 Cb 0.61 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2fby h ILE 223 CO 0.04 0.09 0.03 0.22 0.00 0.00 0.00 178.15 178.54 2fby h TYR 224 N 0.45 0.07 -0.54 1.37 3.20 -1.35 -1.28 116.97 118.89 2fby h TYR 224 Ca 0.12 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.03 2fby h TYR 224 Cb -0.03 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 2fby h TYR 224 CO -0.05 0.10 0.29 -0.09 -1.64 0.00 0.00 178.16 176.77 2fby h ARG 225 N 0.03 0.55 -0.43 1.82 2.43 -1.03 0.10 114.38 117.85 2fby h ARG 225 Ca 0.02 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 2fby h ARG 225 Cb 0.05 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2fby h ARG 225 CO -0.00 0.36 -0.17 -0.91 -1.51 0.00 0.00 179.97 177.74 2fby h ASN 226 N 0.57 0.83 -0.29 -3.80 -0.26 -0.85 -2.85 115.58 108.92 2fby h ASN 226 Ca 0.23 -0.28 -0.12 0.00 -0.56 0.00 0.00 56.30 55.57 2fby h ASN 226 Cb 0.11 -0.23 -0.00 0.00 -1.06 0.00 0.00 38.32 37.14 2fby h ASN 226 CO -0.14 0.99 -0.31 -0.07 -1.06 0.00 0.00 177.43 176.84 2fby h LEU 227 N 0.73 0.77 -1.63 1.61 3.38 -0.82 -3.24 115.31 116.10 2fby h LEU 227 Ca 0.11 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2fby h LEU 227 Cb 0.68 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2fby h LEU 227 CO 0.05 1.09 0.15 -0.08 0.09 0.00 0.00 178.44 179.74 2fby h GLU 228 N 0.46 0.39 0.00 1.13 4.22 -0.75 -2.29 114.58 117.73 2fby h GLU 228 Ca 0.04 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2fby h GLU 228 Cb 0.88 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2fby h GLU 228 CO 0.08 0.30 0.00 1.51 -2.18 0.00 0.00 179.01 178.71 2fby n ILE 229 N -4.45 0.74 -2.13 2.32 0.13 -1.08 -4.80 119.36 110.08 2fby n ILE 229 Ca 0.01 0.09 -0.42 0.00 -1.10 0.00 0.00 62.75 61.34 2fby n ILE 229 Cb 0.10 -0.95 -0.03 0.00 -0.84 0.00 0.00 39.64 37.92 2fby n ILE 229 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 2fby s LEU 230 N -4.16 4.39 0.00 9.51 1.43 -0.87 -5.14 118.68 123.84 2fby s LEU 230 Ca 0.07 2.44 0.04 0.00 -1.03 0.00 0.00 54.13 55.64 2fby s LEU 230 Cb 0.11 -3.60 0.22 0.00 0.03 0.00 0.00 46.19 42.94 2fby s LEU 230 CO 0.43 -0.64 0.70 0.47 0.23 0.00 0.00 176.35 177.53