#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pth n ASN 34 N 0.00 2.98 -0.02 6.55 2.85 -1.26 -4.82 115.26 121.54 1pth n ASN 34 Ca 0.00 0.26 0.17 0.00 -0.11 0.00 0.00 54.58 54.90 1pth n ASN 34 Cb 0.00 -1.48 0.62 0.00 1.24 0.00 0.00 39.78 40.16 1pth n ASN 34 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1pth h PRO 35 N 14.36 0.14 0.00 1.20 0.13 -1.90 0.26 132.00 146.18 1pth h PRO 35 Ca -0.38 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1pth h PRO 35 Cb 1.26 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1pth h PRO 35 CO 0.97 0.09 0.00 0.00 -0.23 0.00 0.00 178.00 178.84 1pth n TYR 38 N -3.93 0.00 -3.96 0.00 4.02 -0.46 -4.09 117.16 108.74 1pth n TYR 38 Ca -0.02 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.54 1pth n TYR 38 Cb 0.28 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.60 1pth n TYR 38 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1pth n TYR 39 N -0.80 -1.61 -0.10 -0.72 4.01 -0.62 -4.87 117.16 112.45 1pth n TYR 39 Ca 0.14 0.49 -0.10 0.00 -0.16 0.00 0.00 57.90 58.28 1pth n TYR 39 Cb 0.07 -3.31 -0.02 0.00 -0.31 0.00 0.00 39.34 35.76 1pth n TYR 39 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1pth h PRO 40 N -2.02 0.44 -6.29 -0.72 0.11 -1.79 -3.44 132.00 118.29 1pth h PRO 40 Ca -0.66 -0.06 -0.55 0.00 0.11 0.00 0.00 66.00 64.83 1pth h PRO 40 Cb 1.38 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1pth h PRO 40 CO 0.57 0.41 0.98 0.00 -0.21 0.00 0.00 178.00 179.76 1pth s GLN 42 N 3.41 2.90 -1.81 0.00 -1.52 0.11 -4.31 119.66 118.44 1pth s GLN 42 Ca 0.68 -0.37 -0.21 0.00 -1.95 0.00 0.00 55.36 53.50 1pth s GLN 42 Cb -0.31 -2.44 0.20 0.00 -0.22 0.00 0.00 33.01 30.24 1pth s GLN 42 CO 0.26 -0.52 0.65 0.72 -0.25 0.00 0.00 175.29 176.16 1pth n HIS 43 N -2.31 -1.38 -0.83 0.91 8.25 -1.26 -0.54 115.22 118.05 1pth n HIS 43 Ca 0.04 0.73 0.00 0.00 -0.26 0.00 0.00 57.72 58.22 1pth n HIS 43 Cb 0.58 -2.30 0.00 0.00 1.12 0.00 0.00 29.99 29.40 1pth n HIS 43 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1pth n GLN 44 N -4.20 0.00 -1.18 -0.41 6.02 -1.26 -4.87 117.38 111.48 1pth n GLN 44 Ca 0.09 0.32 -0.30 0.00 -0.01 0.00 0.00 57.00 57.09 1pth n GLN 44 Cb 0.47 -3.13 0.13 0.00 1.02 0.00 0.00 30.24 28.74 1pth n GLN 44 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1pth s GLY 45 N -2.63 1.63 -0.19 1.08 0.00 0.29 -4.92 107.32 102.58 1pth s GLY 45 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 44.72 44.70 1pth s GLY 45 CO 0.00 0.49 -0.01 -0.42 0.00 0.00 0.00 173.10 173.16 1pth s ILE 46 N -2.91 3.89 -0.26 0.90 -1.09 -0.25 -4.75 121.20 116.74 1pth s ILE 46 Ca 0.63 -0.34 -0.26 0.00 -2.23 0.00 0.00 60.65 58.45 1pth s ILE 46 Cb -0.18 -2.74 0.00 0.00 -1.58 0.00 0.00 42.46 37.96 1pth s ILE 46 CO 0.57 0.44 0.91 0.00 -1.23 0.00 0.00 174.94 175.64 1pth s VAL 48 N 3.07 2.69 0.41 0.00 1.01 0.15 -4.94 120.40 122.80 1pth s VAL 48 Ca 0.38 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.41 1pth s VAL 48 Cb -0.15 -2.10 -0.09 0.00 0.00 0.00 0.00 36.38 34.05 1pth s VAL 48 CO 0.09 0.54 0.86 -0.60 0.00 0.00 0.00 175.10 175.98 1pth s ARG 49 N 0.38 4.00 0.02 2.72 6.06 -1.26 0.40 118.95 131.26 1pth s ARG 49 Ca -0.13 0.81 -0.05 0.00 -2.50 0.00 0.00 55.73 53.86 1pth s ARG 49 Cb -0.17 -2.29 -0.01 0.00 0.06 0.00 0.00 34.95 32.55 1pth s ARG 49 CO 0.06 -0.03 0.08 -0.06 -2.50 0.00 0.00 175.30 172.85 1pth s PHE 50 N -2.26 0.14 0.01 5.12 0.40 -1.02 -4.85 117.98 115.52 1pth s PHE 50 Ca 0.57 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.56 1pth s PHE 50 Cb -0.10 -0.11 0.00 0.00 0.51 0.00 0.00 43.02 43.32 1pth s PHE 50 CO 0.22 -0.28 0.00 0.41 0.70 0.00 0.00 175.22 176.27 1pth n GLY 51 N 1.32 -0.73 0.10 4.36 0.00 -1.26 -3.37 105.19 105.61 1pth n GLY 51 Ca -0.22 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 1pth n GLY 51 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pth h LEU 52 N 0.00 0.21 0.00 0.99 4.07 -2.04 -3.43 115.31 115.10 1pth h LEU 52 Ca 0.00 -0.53 0.00 0.00 0.08 0.00 0.00 57.88 57.44 1pth h LEU 52 Cb 0.04 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.72 1pth h LEU 52 CO 0.00 0.69 0.00 -0.90 -1.08 0.00 0.00 178.44 177.15 1pth n ASP 53 N -4.67 0.00 -0.38 -0.43 5.68 -1.25 -4.98 116.55 110.51 1pth n ASP 53 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.21 1pth n ASP 53 Cb 0.34 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 1pth n ASP 53 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1pth n ARG 54 N 0.00 0.00 -3.57 0.11 1.74 -1.22 -3.94 116.66 109.79 1pth n ARG 54 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 1pth n ARG 54 Cb 0.00 -0.38 -0.02 0.00 -1.02 0.00 0.00 32.46 31.04 1pth n ARG 54 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1pth s TYR 55 N -3.24 -0.20 -0.02 -1.55 1.13 -1.26 -2.43 117.35 109.77 1pth s TYR 55 Ca 0.00 0.17 -0.02 0.00 -1.41 0.00 0.00 57.07 55.81 1pth s TYR 55 Cb 0.00 0.51 0.01 0.00 -1.10 0.00 0.00 41.96 41.38 1pth s TYR 55 CO 0.00 -0.29 0.06 -0.65 -2.51 0.00 0.00 175.55 172.16 1pth s GLN 56 N -2.38 0.07 -0.20 -3.49 -0.21 0.16 -4.85 119.66 108.77 1pth s GLN 56 Ca 0.07 0.09 -0.13 0.00 0.02 0.00 0.00 55.36 55.41 1pth s GLN 56 Cb -0.01 0.03 -0.05 0.00 1.00 0.00 0.00 33.01 33.99 1pth s GLN 56 CO -0.05 -0.01 0.25 0.00 -2.12 0.00 0.00 175.29 173.36 1pth s ASP 58 N 0.70 6.19 -0.46 0.00 -1.08 0.67 -4.76 116.67 117.92 1pth s ASP 58 Ca 0.13 -1.14 0.01 0.00 -0.52 0.00 0.00 52.55 51.03 1pth s ASP 58 Cb -0.13 -2.36 0.45 0.00 -1.46 0.00 0.00 42.92 39.42 1pth s ASP 58 CO 0.03 -1.24 1.90 0.00 0.52 0.00 0.00 175.17 176.38 1pth s THR 60 N -3.36 2.56 -0.78 0.00 2.01 -1.26 -1.90 115.64 112.92 1pth s THR 60 Ca 0.50 0.43 -0.02 0.00 0.31 0.00 0.00 61.69 62.91 1pth s THR 60 Cb 0.40 -3.27 0.02 0.00 0.01 0.00 0.00 72.50 69.66 1pth s THR 60 CO 0.04 0.05 0.09 0.54 -0.69 0.00 0.00 174.62 174.64 1pth n ARG 61 N 3.39 -2.61 0.07 4.92 1.74 -1.26 -4.81 116.66 118.10 1pth n ARG 61 Ca 0.12 0.38 -0.13 0.00 -0.77 0.00 0.00 57.85 57.45 1pth n ARG 61 Cb 0.39 -4.96 -0.13 0.00 -1.02 0.00 0.00 32.46 26.73 1pth n ARG 61 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1pth h THR 62 N -0.17 1.46 0.00 0.55 2.02 -1.71 -3.47 112.91 111.58 1pth h THR 62 Ca -0.23 -3.11 0.00 0.00 0.77 0.00 0.00 66.41 63.84 1pth h THR 62 Cb 1.16 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 70.42 1pth h THR 62 CO 0.28 0.88 0.00 0.61 0.37 0.00 0.00 175.52 177.66 1pth n GLY 63 N 1.50 2.06 3.32 2.16 0.00 -1.26 -4.96 105.19 108.01 1pth n GLY 63 Ca -0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 1pth n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pth s TYR 64 N -2.37 1.63 0.50 1.61 1.51 -1.26 -2.64 117.35 116.32 1pth s TYR 64 Ca 0.00 -0.58 0.01 0.00 -1.01 0.00 0.00 57.07 55.49 1pth s TYR 64 Cb 0.00 -0.78 -0.01 0.00 -0.11 0.00 0.00 41.96 41.06 1pth s TYR 64 CO 0.00 0.29 0.05 -1.54 -1.11 0.00 0.00 175.55 173.25 1pth s SER 65 N -3.12 3.75 0.00 2.29 1.04 0.72 -4.81 113.70 113.57 1pth s SER 65 Ca 0.19 -1.72 0.00 0.00 0.48 0.00 0.00 55.95 54.90 1pth s SER 65 Cb -0.01 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1pth s SER 65 CO 0.06 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.93 1pth n GLY 66 N -1.20 1.19 0.16 7.32 0.00 -1.26 -0.63 105.19 110.77 1pth n GLY 66 Ca -0.17 -2.19 0.04 0.00 0.00 0.00 0.00 46.02 43.70 1pth n GLY 66 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pth h PRO 67 N 0.00 0.00 0.00 1.61 0.11 -1.99 -3.16 132.00 128.57 1pth h PRO 67 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1pth h PRO 67 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1pth h PRO 67 CO 0.00 0.46 -0.10 0.09 -0.21 0.00 0.00 178.00 178.25 1pth n ASN 68 N -3.42 2.04 -3.55 -2.05 3.02 -1.26 -4.08 115.26 105.96 1pth n ASN 68 Ca 0.00 -3.02 -0.21 0.00 -0.03 0.00 0.00 54.58 51.33 1pth n ASN 68 Cb 0.61 -0.41 0.05 0.00 -0.61 0.00 0.00 39.78 39.42 1pth n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pth n THR 70 N -4.02 0.13 -2.79 0.00 -2.24 -0.61 -4.32 114.28 100.43 1pth n THR 70 Ca -0.22 -0.17 -0.43 0.00 -2.27 0.00 0.00 64.05 60.96 1pth n THR 70 Cb 0.65 -0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 1pth n THR 70 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1pth s ILE 71 N -2.31 4.28 1.13 2.28 1.01 0.19 -4.84 121.20 122.94 1pth s ILE 71 Ca -0.02 0.25 -0.14 0.00 0.00 0.00 0.00 60.65 60.74 1pth s ILE 71 Cb 0.03 -4.62 0.26 0.00 0.01 0.00 0.00 42.46 38.14 1pth s ILE 71 CO 0.23 -1.26 1.05 -2.16 0.00 0.00 0.00 174.94 172.80 1pth s PRO 72 N 4.24 -0.62 0.16 2.79 0.04 -1.26 -0.20 135.00 140.15 1pth s PRO 72 Ca 0.31 0.56 0.03 0.00 0.04 0.00 0.00 61.00 61.94 1pth s PRO 72 Cb -0.12 -1.61 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 1pth s PRO 72 CO 0.18 -3.45 0.26 -1.21 0.04 0.00 0.00 177.00 172.82 1pth s GLU 73 N -4.77 3.34 0.21 4.56 2.02 -1.08 -4.77 118.70 118.20 1pth s GLU 73 Ca 0.67 -0.66 -0.12 0.00 0.02 0.00 0.00 54.97 54.88 1pth s GLU 73 Cb -0.21 -2.90 0.25 0.00 0.10 0.00 0.00 34.13 31.38 1pth s GLU 73 CO 0.61 0.51 1.65 0.82 0.02 0.00 0.00 175.26 178.87 1pth h ILE 74 N 1.68 0.46 -0.55 -1.63 1.08 -1.96 0.17 117.51 116.75 1pth h ILE 74 Ca -0.49 -0.02 -0.06 0.00 -0.39 0.00 0.00 64.86 63.91 1pth h ILE 74 Cb 1.20 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.32 1pth h ILE 74 CO 0.67 0.01 0.12 -0.50 -0.69 0.00 0.00 178.15 177.76 1pth h TRP 75 N 0.06 0.94 -0.56 1.37 4.06 -1.97 0.27 115.95 120.12 1pth h TRP 75 Ca 0.30 -0.12 0.00 0.00 2.06 0.00 0.00 58.89 61.14 1pth h TRP 75 Cb 0.48 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 28.35 1pth h TRP 75 CO -0.42 0.82 0.37 1.15 -3.56 0.00 0.00 178.44 176.81 1pth h THR 76 N 0.79 1.15 0.22 1.49 2.02 -1.09 0.54 112.91 118.03 1pth h THR 76 Ca 0.17 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1pth h THR 76 Cb 0.37 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1pth h THR 76 CO 0.01 0.14 -0.11 -0.25 0.37 0.00 0.00 175.52 175.68 1pth h TRP 77 N 0.76 -0.28 -1.00 3.16 7.01 -0.64 -0.93 115.95 124.03 1pth h TRP 77 Ca 0.21 -0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.34 1pth h TRP 77 Cb -0.08 0.09 -0.09 0.00 -2.10 0.00 0.00 29.16 26.99 1pth h TRP 77 CO -0.03 -0.03 0.63 1.25 -2.79 0.00 0.00 178.44 177.46 1pth h LEU 78 N -0.51 0.88 -0.26 0.65 6.46 -0.48 0.12 115.31 122.17 1pth h LEU 78 Ca -0.03 0.06 -0.04 0.00 -0.12 0.00 0.00 57.88 57.75 1pth h LEU 78 Cb 0.38 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 1pth h LEU 78 CO 0.05 0.43 0.01 -0.09 -0.62 0.00 0.00 178.44 178.22 1pth h ARG 79 N 0.92 0.45 0.00 1.25 1.12 0.41 -3.02 114.38 115.51 1pth h ARG 79 Ca 0.51 -0.14 -0.14 0.00 -1.11 0.00 0.00 59.98 59.11 1pth h ARG 79 Cb 0.61 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.50 1pth h ARG 79 CO -0.29 0.61 -0.65 1.79 -3.11 0.00 0.00 179.97 178.33 1pth h THR 80 N 0.23 1.33 0.00 0.20 1.35 -0.31 -2.36 112.91 113.36 1pth h THR 80 Ca 0.07 -2.32 -0.04 0.00 -0.55 0.00 0.00 66.41 63.57 1pth h THR 80 Cb 0.40 2.30 -0.01 0.00 -1.73 0.00 0.00 68.15 69.12 1pth h THR 80 CO 0.01 0.63 -0.18 0.71 -0.25 0.00 0.00 175.52 176.45 1pth h THR 81 N 0.00 0.64 0.00 6.82 1.35 -0.71 -2.72 112.91 118.29 1pth h THR 81 Ca -0.01 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1pth h THR 81 Cb 1.25 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1pth h THR 81 CO 0.08 0.17 -1.70 0.18 -0.25 0.00 0.00 175.52 174.00 1pth n LEU 82 N -3.62 0.25 -4.44 3.87 4.32 -1.15 -4.92 117.00 111.31 1pth n LEU 82 Ca -0.01 0.04 -0.51 0.00 -0.02 0.00 0.00 56.01 55.51 1pth n LEU 82 Cb 0.31 -0.02 -0.07 0.00 -1.62 0.00 0.00 43.42 42.02 1pth n LEU 82 CO 0.32 -0.03 1.80 -1.14 -1.22 0.00 0.00 177.39 177.12 1pth n ARG 83 N -2.30 1.05 -2.38 3.23 0.63 -0.89 -4.87 116.66 111.13 1pth n ARG 83 Ca -0.03 0.29 -0.40 0.00 -0.92 0.00 0.00 57.85 56.79 1pth n ARG 83 Cb 0.55 -2.44 -0.04 0.00 0.45 0.00 0.00 32.46 30.98 1pth n ARG 83 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1pth s PRO 84 N 6.20 4.53 0.15 -0.14 0.04 -1.26 -4.95 135.00 139.57 1pth s PRO 84 Ca 1.10 1.89 -0.33 0.00 0.04 0.00 0.00 61.00 63.71 1pth s PRO 84 Cb -0.87 -3.12 -0.17 0.00 0.04 0.00 0.00 34.50 30.38 1pth s PRO 84 CO 0.49 0.08 0.92 0.45 0.04 0.00 0.00 177.00 178.98 1pth n SER 85 N 1.00 0.17 -0.27 6.66 2.88 -1.26 -4.75 113.62 118.05 1pth n SER 85 Ca -0.00 1.15 0.09 0.00 -1.33 0.00 0.00 58.87 58.77 1pth n SER 85 Cb 0.44 -1.07 0.33 0.00 -0.75 0.00 0.00 64.21 63.17 1pth n SER 85 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1pth h PRO 86 N 2.39 0.77 -0.29 -1.46 0.13 -1.98 0.32 132.00 131.88 1pth h PRO 86 Ca -0.40 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 64.70 1pth h PRO 86 Cb 1.40 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1pth h PRO 86 CO 0.64 0.51 0.16 0.77 -0.23 0.00 0.00 178.00 179.84 1pth h SER 87 N 0.80 0.24 0.24 1.44 0.02 -1.99 -0.38 113.55 113.91 1pth h SER 87 Ca 0.42 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1pth h SER 87 Cb 0.53 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1pth h SER 87 CO -0.19 0.18 -0.25 0.15 -1.14 0.00 0.00 176.83 175.59 1pth h PHE 88 N 0.32 -0.65 -0.51 3.45 3.57 -0.75 -0.60 116.94 121.76 1pth h PHE 88 Ca 0.12 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.73 1pth h PHE 88 Cb 0.02 0.26 -0.10 0.00 2.79 0.00 0.00 35.95 38.92 1pth h PHE 88 CO -0.09 -0.36 -0.14 0.82 -2.23 0.00 0.00 178.31 176.31 1pth h ILE 89 N -0.52 0.47 -0.80 1.41 5.03 -0.96 0.13 117.51 122.26 1pth h ILE 89 Ca -0.00 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.83 1pth h ILE 89 Cb 0.49 0.47 -0.07 0.00 -3.03 0.00 0.00 36.82 34.67 1pth h ILE 89 CO -0.06 0.00 0.45 -0.74 -0.68 0.00 0.00 178.15 177.11 1pth h HIS 90 N -0.01 0.81 0.20 1.37 2.76 -0.28 -0.38 115.15 119.62 1pth h HIS 90 Ca 0.25 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.45 1pth h HIS 90 Cb 0.39 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 1pth h HIS 90 CO -0.44 0.33 -0.24 0.35 -1.30 0.00 0.00 177.93 176.62 1pth h PHE 91 N 0.76 -0.65 -0.04 5.26 3.57 0.73 -2.64 116.94 123.93 1pth h PHE 91 Ca 0.38 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.93 1pth h PHE 91 Cb 0.35 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.30 1pth h PHE 91 CO -0.07 -0.35 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.33 1pth h LEU 92 N -0.50 -0.76 0.00 0.59 4.07 -0.03 -1.41 115.31 117.28 1pth h LEU 92 Ca 0.01 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1pth h LEU 92 Cb 0.48 0.32 0.00 0.00 1.08 0.00 0.00 40.66 42.54 1pth h LEU 92 CO -0.08 -0.32 0.00 0.18 -1.08 0.00 0.00 178.44 177.14 1pth n LEU 93 N -5.37 0.00 -0.01 1.67 4.77 -0.26 -1.85 117.00 115.95 1pth n LEU 93 Ca -0.04 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1pth n LEU 93 Cb 0.29 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1pth n LEU 93 CO 0.21 -0.08 0.42 0.35 -1.33 0.00 0.00 177.39 176.96 1pth n THR 94 N -1.08 0.68 -4.17 -5.08 -2.24 -0.55 -0.14 114.28 101.70 1pth n THR 94 Ca 0.00 -0.69 -0.11 0.00 -2.27 0.00 0.00 64.05 60.99 1pth n THR 94 Cb 0.00 0.65 -0.10 0.00 -2.10 0.00 0.00 70.33 68.78 1pth n THR 94 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1pth s HIS 95 N -0.70 0.91 -0.09 4.78 3.76 -0.77 -4.90 115.29 118.28 1pth s HIS 95 Ca 0.01 -0.99 -0.00 0.00 -0.15 0.00 0.00 55.06 53.92 1pth s HIS 95 Cb 0.00 -0.53 0.00 0.00 1.11 0.00 0.00 32.58 33.16 1pth s HIS 95 CO 0.00 -0.23 0.02 0.41 -0.85 0.00 0.00 174.74 174.09 1pth n GLY 96 N -0.07 0.53 0.18 -2.22 0.00 -1.26 -4.76 105.19 97.59 1pth n GLY 96 Ca -0.10 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.21 1pth n GLY 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pth n ARG 97 N -0.98 -0.04 0.15 1.61 3.00 -1.26 0.23 116.66 119.36 1pth n ARG 97 Ca -0.01 0.79 -0.15 0.00 -0.00 0.00 0.00 57.85 58.49 1pth n ARG 97 Cb 0.51 -1.22 -0.07 0.00 0.00 0.00 0.00 32.46 31.68 1pth n ARG 97 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.63 177.74 1pth h TRP 98 N 0.00 -1.09 -0.60 -0.14 5.08 -2.00 0.47 115.95 117.67 1pth h TRP 98 Ca 0.28 0.02 0.01 0.00 1.08 0.00 0.00 58.89 60.28 1pth h TRP 98 Cb 0.50 0.46 -0.03 0.00 -3.00 0.00 0.00 29.16 27.08 1pth h TRP 98 CO -0.34 -0.51 0.39 1.25 -1.28 0.00 0.00 178.44 177.96 1pth h LEU 99 N -0.67 0.67 -0.77 0.11 5.85 0.25 -2.62 115.31 118.13 1pth h LEU 99 Ca 0.01 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1pth h LEU 99 Cb 0.67 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1pth h LEU 99 CO -0.19 0.49 0.39 -0.50 -0.34 0.00 0.00 178.44 178.29 1pth h TRP 100 N 0.80 1.09 -0.99 1.25 4.06 -0.01 -2.44 115.95 119.72 1pth h TRP 100 Ca 0.22 -0.04 0.10 0.00 2.06 0.00 0.00 58.89 61.24 1pth h TRP 100 Cb -0.07 -0.34 -0.08 0.00 -1.00 0.00 0.00 29.16 27.66 1pth h TRP 100 CO -0.04 0.79 0.62 -0.44 -3.56 0.00 0.00 178.44 175.81 1pth h ASP 101 N 1.08 0.93 0.30 -3.49 3.32 0.28 0.59 116.42 119.45 1pth h ASP 101 Ca 0.27 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1pth h ASP 101 Cb 0.08 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1pth h ASP 101 CO -0.04 0.53 -0.15 0.15 -1.72 0.00 0.00 179.24 178.01 1pth h PHE 102 N 1.02 -0.38 -0.34 4.55 3.57 -1.31 -2.84 116.94 121.22 1pth h PHE 102 Ca 0.47 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 62.02 1pth h PHE 102 Cb 0.40 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.21 1pth h PHE 102 CO -0.01 -0.15 -0.00 0.28 -2.23 0.00 0.00 178.31 176.20 1pth h VAL 103 N -0.53 0.75 -0.07 1.41 2.07 -0.65 0.82 116.25 120.05 1pth h VAL 103 Ca -0.04 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1pth h VAL 103 Cb 0.40 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1pth h VAL 103 CO 0.07 0.02 0.29 0.78 0.02 0.00 0.00 177.57 178.74 1pth h ASN 104 N 0.09 0.00 0.01 0.57 2.35 0.23 0.19 115.58 119.02 1pth h ASN 104 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1pth h ASN 104 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1pth h ASN 104 CO -0.28 0.00 -0.17 0.00 -1.65 0.00 0.00 177.43 175.33 1pth n ALA 105 N -2.01 2.88 -3.36 -0.83 0.00 0.25 -4.82 120.51 112.62 1pth n ALA 105 Ca -0.01 -0.61 -0.12 0.00 0.00 0.00 0.00 53.44 52.71 1pth n ALA 105 Cb 0.36 -0.90 0.02 0.00 0.00 0.00 0.00 19.45 18.93 1pth n ALA 105 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1pth n THR 106 N 0.52 0.00 0.16 0.00 -2.24 0.67 -5.01 114.28 108.38 1pth n THR 106 Ca 0.13 -0.95 0.02 0.00 -2.27 0.00 0.00 64.05 60.99 1pth n THR 106 Cb 0.49 -0.52 0.19 0.00 -2.10 0.00 0.00 70.33 68.40 1pth n THR 106 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 1pth h PHE 107 N 0.32 0.00 -0.65 4.78 -5.15 -1.93 -3.22 116.94 111.09 1pth h PHE 107 Ca -0.14 0.00 0.19 0.00 -0.20 0.00 0.00 57.97 57.82 1pth h PHE 107 Cb 0.58 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.72 1pth h PHE 107 CO 0.00 0.51 0.80 0.82 -2.00 0.00 0.00 178.31 178.45 1pth h ILE 108 N 0.00 0.17 0.17 0.88 2.04 -1.95 -1.30 117.51 117.51 1pth h ILE 108 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1pth h ILE 108 Cb 1.13 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1pth h ILE 108 CO 0.07 0.00 -0.09 -0.09 0.00 0.00 0.00 178.15 178.03 1pth h ARG 109 N 0.00 -0.23 -0.75 2.37 2.43 -1.65 -0.26 114.38 116.29 1pth h ARG 109 Ca 0.31 0.02 0.17 0.00 -0.81 0.00 0.00 59.98 59.67 1pth h ARG 109 Cb 1.91 0.05 -0.13 0.00 -0.42 0.00 0.00 29.97 31.39 1pth h ARG 109 CO -0.00 -0.16 0.03 -0.44 -1.51 0.00 0.00 179.97 177.89 1pth h ASP 110 N -0.24 -0.30 -0.23 -3.80 3.32 -1.51 0.35 116.42 114.02 1pth h ASP 110 Ca -0.02 0.19 0.04 0.00 0.02 0.00 0.00 57.03 57.26 1pth h ASP 110 Cb 0.19 0.32 -0.07 0.00 0.22 0.00 0.00 39.33 39.99 1pth h ASP 110 CO 0.03 -0.16 -0.49 0.74 -1.72 0.00 0.00 179.24 177.63 1pth h THR 111 N 0.12 0.06 0.32 0.35 2.02 -1.26 0.29 112.91 114.81 1pth h THR 111 Ca 0.41 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.58 1pth h THR 111 Cb 0.73 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1pth h THR 111 CO -0.64 0.00 -0.15 -0.07 0.37 0.00 0.00 175.52 175.02 1pth h LEU 112 N -0.49 -0.37 -0.98 2.58 3.38 0.12 -1.44 115.31 118.13 1pth h LEU 112 Ca 0.07 -0.07 0.31 0.00 0.09 0.00 0.00 57.88 58.29 1pth h LEU 112 Cb 0.64 0.09 -0.15 0.00 0.09 0.00 0.00 40.66 41.33 1pth h LEU 112 CO -0.48 -0.16 0.47 -0.03 0.09 0.00 0.00 178.44 178.33 1pth h MET 113 N -0.56 0.24 0.01 1.13 4.05 0.13 0.80 114.93 120.73 1pth h MET 113 Ca -0.04 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1pth h MET 113 Cb 0.41 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1pth h MET 113 CO 0.07 0.16 -0.00 -0.09 0.23 0.00 0.00 176.91 177.28 1pth h ARG 114 N 0.25 -0.01 -0.34 0.39 2.43 -0.16 -2.44 114.38 114.50 1pth h ARG 114 Ca 0.70 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.94 1pth h ARG 114 Cb 1.60 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 31.09 1pth h ARG 114 CO -0.65 0.47 -0.11 1.25 -1.51 0.00 0.00 179.97 179.42 1pth h LEU 115 N -0.49 -0.38 -0.17 3.80 6.46 0.15 0.42 115.31 125.10 1pth h LEU 115 Ca -0.00 0.11 0.05 0.00 -0.12 0.00 0.00 57.88 57.92 1pth h LEU 115 Cb 0.48 0.24 -0.07 0.00 -0.73 0.00 0.00 40.66 40.58 1pth h LEU 115 CO 0.00 -0.14 -0.38 0.58 -0.62 0.00 0.00 178.44 177.88 1pth h VAL 116 N -0.03 0.20 -0.33 1.05 2.07 -0.54 -0.79 116.25 117.87 1pth h VAL 116 Ca 0.17 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.73 1pth h VAL 116 Cb 0.29 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 30.18 1pth h VAL 116 CO -0.37 0.00 -0.51 -0.07 0.02 0.00 0.00 177.57 176.64 1pth h LEU 117 N -0.43 -1.70 0.68 2.57 4.07 -0.65 0.11 115.31 119.97 1pth h LEU 117 Ca 0.09 0.22 -0.03 0.00 0.08 0.00 0.00 57.88 58.24 1pth h LEU 117 Cb 0.59 0.69 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1pth h LEU 117 CO -0.40 -0.38 -0.35 0.71 -1.08 0.00 0.00 178.44 176.93 1pth h THR 118 N -0.39 0.00 -0.21 0.22 1.35 -0.53 -1.44 112.91 111.90 1pth h THR 118 Ca 0.06 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.98 1pth h THR 118 Cb 0.56 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.97 1pth h THR 118 CO -0.52 0.00 0.18 -0.37 -0.25 0.00 0.00 175.52 174.56 1pth h VAL 119 N -0.95 0.69 0.02 6.82 -1.51 -1.09 -1.08 116.25 119.15 1pth h VAL 119 Ca -0.09 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.38 1pth h VAL 119 Cb 0.74 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 1pth h VAL 119 CO 0.14 0.00 -0.01 -0.09 -1.23 0.00 0.00 177.57 176.38 1pth h ARG 120 N 0.00 -0.02 -0.24 5.19 9.65 -0.69 -3.32 114.38 124.95 1pth h ARG 120 Ca 0.10 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 59.05 1pth h ARG 120 Cb 0.47 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 1pth h ARG 120 CO -0.00 0.66 0.17 0.77 2.80 0.00 0.00 179.97 184.38 1pth h SER 121 N -0.75 0.00 -0.04 -3.80 0.02 -0.08 -3.07 113.55 105.83 1pth h SER 121 Ca -0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1pth h SER 121 Cb 0.70 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 1pth h SER 121 CO 0.00 0.00 0.08 0.78 -1.14 0.00 0.00 176.83 176.55 1pth h ASN 122 N 0.00 0.00 0.63 3.07 4.21 -1.55 -2.21 115.58 119.73 1pth h ASN 122 Ca 0.11 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.47 1pth h ASN 122 Cb 0.46 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.64 1pth h ASN 122 CO -0.00 0.00 -0.70 -0.07 -1.29 0.00 0.00 177.43 175.37 1pth h LEU 123 N 0.00 0.07 -9.15 1.61 3.38 -1.76 -3.42 115.31 106.04 1pth h LEU 123 Ca 0.02 -0.05 -0.58 0.00 0.09 0.00 0.00 57.88 57.36 1pth h LEU 123 Cb 0.17 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.82 1pth h LEU 123 CO -0.00 0.74 0.27 -0.63 0.09 0.00 0.00 178.44 178.91 1pth s ILE 124 N -3.47 4.94 0.27 1.22 -1.09 -0.83 -5.03 121.20 117.22 1pth s ILE 124 Ca -0.02 1.44 -0.29 0.00 -2.23 0.00 0.00 60.65 59.55 1pth s ILE 124 Cb 0.12 -4.05 -0.09 0.00 -1.58 0.00 0.00 42.46 36.85 1pth s ILE 124 CO 0.78 0.07 1.08 -2.16 -1.23 0.00 0.00 174.94 173.47 1pth s PRO 125 N 2.03 4.67 -0.16 2.79 0.04 -1.26 -5.02 135.00 138.08 1pth s PRO 125 Ca 0.34 1.76 -0.07 0.00 0.04 0.00 0.00 61.00 63.07 1pth s PRO 125 Cb -0.16 -3.20 0.07 0.00 0.04 0.00 0.00 34.50 31.25 1pth s PRO 125 CO 0.11 0.26 0.37 0.45 0.04 0.00 0.00 177.00 178.23 1pth s SER 126 N -0.93 -0.26 1.12 6.66 0.15 -1.26 -3.91 113.70 115.27 1pth s SER 126 Ca 0.44 0.82 -0.15 0.00 0.70 0.00 0.00 55.95 57.76 1pth s SER 126 Cb -0.31 0.88 0.18 0.00 -1.71 0.00 0.00 66.02 65.06 1pth s SER 126 CO 0.40 -0.21 0.55 -2.65 1.20 0.00 0.00 173.24 172.52 1pth n PRO 127 N 4.77 -1.80 -0.82 5.44 -0.02 -1.26 -5.04 135.00 136.27 1pth n PRO 127 Ca -0.16 -0.50 -0.30 0.00 -2.02 0.00 0.00 63.50 60.52 1pth n PRO 127 Cb 0.52 -1.96 0.18 0.00 -0.02 0.00 0.00 33.50 32.23 1pth n PRO 127 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1pth s PRO 128 N -3.94 0.46 0.00 0.52 0.02 -1.25 -5.05 135.00 125.76 1pth s PRO 128 Ca 0.62 1.07 0.00 0.00 0.02 0.00 0.00 61.00 62.71 1pth s PRO 128 Cb -0.19 -1.70 0.00 0.00 0.02 0.00 0.00 34.50 32.63 1pth s PRO 128 CO 0.65 -2.86 0.00 0.25 -0.33 0.00 0.00 177.00 174.72 1pth n THR 129 N -4.34 0.00 -3.01 0.99 -2.24 -1.26 -4.88 114.28 99.54 1pth n THR 129 Ca 0.07 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.67 1pth n THR 129 Cb 0.54 -0.18 0.01 0.00 -2.10 0.00 0.00 70.33 68.60 1pth n THR 129 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1pth s TYR 130 N 0.25 2.86 0.31 4.78 1.51 -1.26 -4.63 117.35 121.17 1pth s TYR 130 Ca 0.00 -0.31 0.04 0.00 -1.01 0.00 0.00 57.07 55.80 1pth s TYR 130 Cb 0.00 -2.39 -0.03 0.00 -0.11 0.00 0.00 41.96 39.43 1pth s TYR 130 CO 0.00 -0.44 0.28 0.54 -1.11 0.00 0.00 175.55 174.82 1pth s ASN 131 N -4.34 1.29 0.48 2.29 6.03 -0.58 -2.04 114.94 118.07 1pth s ASN 131 Ca 0.54 -1.65 0.24 0.00 -1.03 0.00 0.00 52.86 50.96 1pth s ASN 131 Cb -0.10 0.54 1.29 0.00 -3.03 0.00 0.00 41.25 39.95 1pth s ASN 131 CO 0.34 -1.06 1.89 -0.29 -2.03 0.00 0.00 177.10 175.95 1pth h ILE 132 N 2.22 0.64 0.00 0.54 6.09 -1.86 -0.94 117.51 124.19 1pth h ILE 132 Ca -0.27 -0.06 -0.16 0.00 -1.37 0.00 0.00 64.86 62.99 1pth h ILE 132 Cb 1.24 0.44 -0.03 0.00 0.47 0.00 0.00 36.82 38.94 1pth h ILE 132 CO 0.39 0.03 -1.10 0.00 -3.07 0.00 0.00 178.15 174.41 1pth h ALA 133 N 1.61 0.64 -3.32 0.18 0.00 -1.95 -3.46 119.26 112.95 1pth h ALA 133 Ca 0.42 -0.78 -0.36 0.00 0.00 0.00 0.00 54.91 54.19 1pth h ALA 133 Cb 1.36 0.13 -0.38 0.00 0.00 0.00 0.00 17.79 18.89 1pth h ALA 133 CO -0.08 0.91 -0.73 -1.01 0.00 0.00 0.00 179.25 178.34 1pth s HIS 134 N -2.89 0.05 -0.67 0.00 3.76 -0.36 -4.98 115.29 110.21 1pth s HIS 134 Ca -0.00 0.26 -0.03 0.00 -0.15 0.00 0.00 55.06 55.14 1pth s HIS 134 Cb 0.08 -0.45 0.22 0.00 1.11 0.00 0.00 32.58 33.55 1pth s HIS 134 CO 0.79 -0.18 2.36 -0.25 -0.85 0.00 0.00 174.74 176.60 1pth n ASP 135 N 5.19 7.07 -3.76 1.40 8.00 -1.26 -1.53 116.55 131.66 1pth n ASP 135 Ca -0.05 -3.56 -0.09 0.00 0.71 0.00 0.00 54.79 51.80 1pth n ASP 135 Cb 0.50 -1.14 -0.03 0.00 -0.02 0.00 0.00 41.12 40.43 1pth n ASP 135 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1pth s TYR 136 N -3.03 -0.20 0.08 1.24 1.13 -1.26 -5.02 117.35 110.29 1pth s TYR 136 Ca 0.55 -0.18 -0.24 0.00 -1.41 0.00 0.00 57.07 55.79 1pth s TYR 136 Cb 0.41 0.59 -0.06 0.00 -1.10 0.00 0.00 41.96 41.80 1pth s TYR 136 CO -0.33 -1.09 0.72 0.42 -2.51 0.00 0.00 175.55 172.76 1pth s ILE 137 N -3.89 4.64 -0.00 -3.49 1.01 -1.26 -4.34 121.20 113.87 1pth s ILE 137 Ca 0.10 1.54 -0.10 0.00 0.00 0.00 0.00 60.65 62.19 1pth s ILE 137 Cb -0.04 -4.07 0.01 0.00 0.01 0.00 0.00 42.46 38.38 1pth s ILE 137 CO 0.02 0.45 0.20 -0.94 0.00 0.00 0.00 174.94 174.66 1pth s SER 138 N -0.56 -0.05 0.18 3.58 1.04 -1.26 -5.02 113.70 111.61 1pth s SER 138 Ca 0.35 -0.11 -0.13 0.00 0.48 0.00 0.00 55.95 56.54 1pth s SER 138 Cb -0.21 0.24 0.14 0.00 0.10 0.00 0.00 66.02 66.30 1pth s SER 138 CO 0.23 -0.40 1.76 -0.25 0.98 0.00 0.00 173.24 175.55 1pth h TRP 139 N 4.11 0.33 -0.91 5.02 2.91 -1.99 -1.79 115.95 123.63 1pth h TRP 139 Ca -0.30 0.02 0.16 0.00 1.13 0.00 0.00 58.89 59.89 1pth h TRP 139 Cb 1.19 -0.08 -0.07 0.00 -0.51 0.00 0.00 29.16 29.69 1pth h TRP 139 CO 0.57 0.13 0.58 1.49 -1.03 0.00 0.00 178.44 180.18 1pth h GLU 140 N 0.37 0.65 -0.30 2.65 4.57 -1.98 0.29 114.58 120.83 1pth h GLU 140 Ca 0.22 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.27 1pth h GLU 140 Cb 0.20 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1pth h GLU 140 CO -0.21 0.43 -0.22 1.03 -1.18 0.00 0.00 179.01 178.86 1pth h SER 141 N 0.67 0.56 1.10 1.04 0.87 -1.68 0.53 113.55 116.64 1pth h SER 141 Ca 0.46 -0.18 -0.08 0.00 -1.23 0.00 0.00 61.79 60.76 1pth h SER 141 Cb 0.80 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1pth h SER 141 CO -0.22 0.78 -0.38 0.15 -0.53 0.00 0.00 176.83 176.63 1pth h PHE 142 N 0.50 0.00 0.01 2.24 3.57 -0.23 -3.37 116.94 119.66 1pth h PHE 142 Ca 0.08 0.00 -0.42 0.00 3.53 0.00 0.00 57.97 61.16 1pth h PHE 142 Cb 0.65 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 39.32 1pth h PHE 142 CO 0.02 0.38 -2.43 0.43 -2.23 0.00 0.00 178.31 174.49 1pth n SER 143 N -3.39 1.97 -4.55 0.41 7.64 0.03 -4.87 113.62 110.87 1pth n SER 143 Ca 0.01 0.12 -0.37 0.00 1.01 0.00 0.00 58.87 59.64 1pth n SER 143 Cb 0.57 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 63.09 1pth n SER 143 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1pth s ASN 144 N -7.01 5.51 -0.01 6.43 3.84 0.16 -4.86 114.94 119.00 1pth s ASN 144 Ca -0.36 -0.18 0.04 0.00 0.21 0.00 0.00 52.86 52.58 1pth s ASN 144 Cb 0.11 -2.55 0.15 0.00 -0.55 0.00 0.00 41.25 38.41 1pth s ASN 144 CO 0.56 -2.28 1.05 1.33 -2.79 0.00 0.00 177.10 174.97 1pth n VAL 145 N 7.17 0.28 1.05 -5.21 0.24 -1.26 -2.97 118.33 117.62 1pth n VAL 145 Ca 0.22 -0.23 0.14 0.00 -2.04 0.00 0.00 64.34 62.43 1pth n VAL 145 Cb 0.50 -0.00 0.57 0.00 -1.47 0.00 0.00 33.84 33.44 1pth n VAL 145 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1pth n SER 146 N -0.01 0.10 -4.81 -1.34 7.64 -1.26 -4.76 113.62 109.18 1pth n SER 146 Ca 0.05 0.29 -0.39 0.00 1.01 0.00 0.00 58.87 59.84 1pth n SER 146 Cb 0.19 -0.35 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 1pth n SER 146 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1pth s TYR 147 N -2.95 3.82 0.08 1.43 2.02 -1.16 -0.30 117.35 120.30 1pth s TYR 147 Ca 0.15 1.32 -0.21 0.00 -0.37 0.00 0.00 57.07 57.96 1pth s TYR 147 Cb 0.19 -2.53 -0.07 0.00 -0.40 0.00 0.00 41.96 39.15 1pth s TYR 147 CO 0.55 0.58 0.63 0.71 -1.57 0.00 0.00 175.55 176.45 1pth s TYR 148 N -1.12 3.81 0.67 2.71 2.02 -0.44 -4.83 117.35 120.18 1pth s TYR 148 Ca 0.30 1.36 -0.01 0.00 -0.37 0.00 0.00 57.07 58.35 1pth s TYR 148 Cb -0.20 -2.59 0.09 0.00 -0.40 0.00 0.00 41.96 38.86 1pth s TYR 148 CO 0.20 0.52 0.93 -0.08 -1.57 0.00 0.00 175.55 175.56 1pth s THR 149 N -0.94 2.31 0.04 -0.71 -1.32 -0.77 -4.15 115.64 110.11 1pth s THR 149 Ca 0.31 -0.57 -0.01 0.00 -1.21 0.00 0.00 61.69 60.22 1pth s THR 149 Cb -0.20 -2.75 -0.03 0.00 -1.51 0.00 0.00 72.50 68.01 1pth s THR 149 CO 0.21 0.00 -0.02 0.00 -2.21 0.00 0.00 174.62 172.59 1pth s ARG 150 N -5.05 0.51 -0.04 7.08 1.70 -0.87 0.30 118.95 122.58 1pth s ARG 150 Ca 0.63 -1.00 -0.05 0.00 -0.47 0.00 0.00 55.73 54.84 1pth s ARG 150 Cb -0.07 0.18 -0.28 0.00 -0.57 0.00 0.00 34.95 34.21 1pth s ARG 150 CO 0.43 -0.09 0.69 0.82 -1.08 0.00 0.00 175.30 176.06 1pth h ILE 151 N 3.65 0.96 -3.13 4.99 1.08 -1.98 -3.37 117.51 119.71 1pth h ILE 151 Ca -0.33 -2.61 -0.66 0.00 -0.39 0.00 0.00 64.86 60.86 1pth h ILE 151 Cb 1.17 2.68 -0.35 0.00 -3.07 0.00 0.00 36.82 37.25 1pth h ILE 151 CO 0.57 0.82 -0.86 -0.76 -0.69 0.00 0.00 178.15 177.23 1pth s LEU 152 N -7.01 2.06 0.68 1.44 1.43 -1.26 -4.97 118.68 111.05 1pth s LEU 152 Ca -0.13 -0.61 -0.17 0.00 -1.03 0.00 0.00 54.13 52.19 1pth s LEU 152 Cb 0.06 -1.42 -0.06 0.00 0.03 0.00 0.00 46.19 44.81 1pth s LEU 152 CO 0.84 0.03 0.46 -0.81 0.23 0.00 0.00 176.35 177.09 1pth n PRO 153 N 4.39 0.33 -1.02 1.29 -0.04 -1.26 -4.70 135.00 134.00 1pth n PRO 153 Ca -0.20 0.15 -0.31 0.00 -0.04 0.00 0.00 63.50 63.09 1pth n PRO 153 Cb 0.51 -1.74 0.13 0.00 -0.04 0.00 0.00 33.50 32.36 1pth n PRO 153 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1pth s SER 154 N -1.36 3.73 -0.30 3.54 1.04 -1.26 -4.58 113.70 114.50 1pth s SER 154 Ca 0.65 2.05 -0.29 0.00 0.48 0.00 0.00 55.95 58.84 1pth s SER 154 Cb -0.37 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.20 1pth s SER 154 CO 0.58 -2.56 1.26 0.68 0.98 0.00 0.00 173.24 174.18 1pth s VAL 155 N -2.69 4.20 -0.06 5.02 -7.23 -0.57 -4.89 120.40 114.17 1pth s VAL 155 Ca 0.65 1.35 -0.40 0.00 -1.81 0.00 0.00 61.98 61.77 1pth s VAL 155 Cb -0.21 -4.20 -0.19 0.00 0.56 0.00 0.00 36.38 32.34 1pth s VAL 155 CO 0.56 -0.48 1.26 -0.81 -0.31 0.00 0.00 175.10 175.31 1pth n PRO 156 N 7.25 0.39 0.00 4.82 -0.04 -1.26 -4.82 135.00 141.34 1pth n PRO 156 Ca 0.14 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 1pth n PRO 156 Cb 0.47 -1.69 0.03 0.00 -0.04 0.00 0.00 33.50 32.26 1pth n PRO 156 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1pth n ARG 157 N 2.37 0.02 -0.25 0.54 1.74 -1.26 -1.10 116.66 118.72 1pth n ARG 157 Ca 0.21 0.16 0.07 0.00 -0.77 0.00 0.00 57.85 57.52 1pth n ARG 157 Cb 0.10 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.23 1pth n ARG 157 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1pth n ASP 158 N -1.16 3.25 -4.85 0.55 5.75 -1.26 -4.99 116.55 113.84 1pth n ASP 158 Ca 0.01 -2.09 -0.31 0.00 -0.01 0.00 0.00 54.79 52.38 1pth n ASP 158 Cb 0.01 -0.31 0.02 0.00 -1.03 0.00 0.00 41.12 39.80 1pth n ASP 158 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pth h PRO 160 N -0.24 0.00 -5.79 0.00 0.13 -1.88 -3.45 132.00 120.76 1pth h PRO 160 Ca -0.44 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.17 1pth h PRO 160 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 1pth h PRO 160 CO 0.60 0.42 -0.74 0.95 -0.23 0.00 0.00 178.00 179.00 1pth s THR 161 N -3.97 2.00 -2.00 1.56 -4.23 -0.86 -4.94 115.64 103.20 1pth s THR 161 Ca -0.02 -2.28 0.10 0.00 -1.18 0.00 0.00 61.69 58.32 1pth s THR 161 Cb 0.13 -2.17 0.30 0.00 1.34 0.00 0.00 72.50 72.11 1pth s THR 161 CO 0.72 -0.51 1.05 -0.81 -0.54 0.00 0.00 174.62 174.54 1pth n PRO 162 N -0.48 0.35 0.00 3.99 -0.04 -1.26 -1.44 135.00 136.12 1pth n PRO 162 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1pth n PRO 162 Cb 0.60 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1pth n PRO 162 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1pth n MET 163 N -0.96 1.98 0.00 0.54 2.81 -1.26 -4.96 117.12 115.27 1pth n MET 163 Ca 0.08 -0.20 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 1pth n MET 163 Cb 0.04 -0.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.91 1pth n MET 163 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pth n GLY 164 N 0.34 1.32 0.03 3.03 0.00 -0.52 -4.71 105.19 104.68 1pth n GLY 164 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 46.02 45.44 1pth n GLY 164 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pth n THR 165 N 0.00 0.43 -3.96 2.61 -1.04 -1.26 -2.03 114.28 109.03 1pth n THR 165 Ca 0.00 -0.35 -0.27 0.00 -2.04 0.00 0.00 64.05 61.39 1pth n THR 165 Cb 0.00 -0.37 -0.01 0.00 -1.82 0.00 0.00 70.33 68.13 1pth n THR 165 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1pth s LYS 166 N -2.42 2.24 0.20 -2.82 1.02 -1.26 -4.83 119.74 111.87 1pth s LYS 166 Ca -0.05 -2.07 0.00 0.00 0.02 0.00 0.00 55.97 53.87 1pth s LYS 166 Cb 0.04 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1pth s LYS 166 CO 0.42 -0.63 0.00 0.41 -0.92 0.00 0.00 175.35 174.63 1pth n GLY 167 N -1.75 -2.48 3.83 -3.33 0.00 -1.26 -4.60 105.19 95.60 1pth n GLY 167 Ca -0.03 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 1pth n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pth s LYS 168 N -0.76 2.52 0.00 1.61 -0.14 -1.18 -4.95 119.74 116.85 1pth s LYS 168 Ca 0.00 0.66 0.27 0.00 -1.36 0.00 0.00 55.97 55.54 1pth s LYS 168 Cb 0.00 -1.97 1.22 0.00 -1.68 0.00 0.00 37.83 35.40 1pth s LYS 168 CO 0.00 -1.32 1.89 1.63 -0.76 0.00 0.00 175.35 176.79 1pth n LYS 169 N -3.23 0.11 -4.17 1.68 5.02 -1.26 -4.51 118.16 111.79 1pth n LYS 169 Ca 0.07 0.03 -0.16 0.00 -2.02 0.00 0.00 58.31 56.23 1pth n LYS 169 Cb 0.56 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.92 1pth n LYS 169 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1pth s GLN 170 N -2.88 0.45 0.25 1.97 -0.21 -1.26 -4.58 119.66 113.39 1pth s GLN 170 Ca 0.17 -0.20 -0.08 0.00 0.02 0.00 0.00 55.36 55.27 1pth s GLN 170 Cb 0.18 -0.43 -0.06 0.00 1.00 0.00 0.00 33.01 33.70 1pth s GLN 170 CO 0.47 0.12 0.54 -0.51 -2.12 0.00 0.00 175.29 173.79 1pth s LEU 171 N -0.14 4.13 0.14 2.90 1.43 -1.26 -5.03 118.68 120.85 1pth s LEU 171 Ca 0.02 0.83 -0.33 0.00 -1.03 0.00 0.00 54.13 53.62 1pth s LEU 171 Cb -0.02 -3.61 -0.17 0.00 0.03 0.00 0.00 46.19 42.42 1pth s LEU 171 CO -0.00 -0.12 0.92 -2.65 0.23 0.00 0.00 176.35 174.73 1pth n PRO 172 N -0.44 0.50 -1.82 1.29 -0.02 -1.26 -4.78 135.00 128.47 1pth n PRO 172 Ca -0.00 0.18 -0.39 0.00 -2.02 0.00 0.00 63.50 61.26 1pth n PRO 172 Cb 0.53 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.48 1pth n PRO 172 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1pth s ASP 173 N -0.37 5.15 0.20 2.55 2.15 -1.26 -4.84 116.67 120.26 1pth s ASP 173 Ca 0.74 0.98 -0.03 0.00 0.43 0.00 0.00 52.55 54.66 1pth s ASP 173 Cb -0.97 -2.52 0.39 0.00 -0.30 0.00 0.00 42.92 39.52 1pth s ASP 173 CO 0.55 -2.35 1.08 0.00 -0.17 0.00 0.00 175.17 174.28 1pth n ALA 174 N 13.14 0.23 -0.10 3.66 0.00 -1.26 0.41 120.51 136.59 1pth n ALA 174 Ca 0.27 0.76 -0.06 0.00 0.00 0.00 0.00 53.44 54.41 1pth n ALA 174 Cb 0.51 -0.49 -0.00 0.00 0.00 0.00 0.00 19.45 19.47 1pth n ALA 174 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1pth h GLU 175 N 0.00 -0.17 0.49 0.00 4.57 -1.88 0.43 114.58 118.02 1pth h GLU 175 Ca 0.36 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.53 1pth h GLU 175 Cb 0.62 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1pth h GLU 175 CO -0.69 -0.11 -0.24 0.35 -1.18 0.00 0.00 179.01 177.14 1pth h PHE 176 N -0.17 -0.61 -0.93 0.92 3.57 -0.43 -0.31 116.94 118.97 1pth h PHE 176 Ca 0.18 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.89 1pth h PHE 176 Cb 0.45 0.20 -0.12 0.00 2.79 0.00 0.00 35.95 39.26 1pth h PHE 176 CO -0.43 -0.30 0.46 1.25 -2.23 0.00 0.00 178.31 177.06 1pth h LEU 177 N -0.88 0.45 -0.46 0.59 5.85 -0.64 0.60 115.31 120.82 1pth h LEU 177 Ca -0.07 0.15 -0.17 0.00 0.84 0.00 0.00 57.88 58.63 1pth h LEU 177 Cb 0.59 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1pth h LEU 177 CO 0.11 0.03 -0.68 0.28 -0.34 0.00 0.00 178.44 177.84 1pth h SER 178 N 0.46 0.47 0.50 1.25 0.02 0.04 -2.13 113.55 114.16 1pth h SER 178 Ca 0.59 -0.29 -0.22 0.00 -0.84 0.00 0.00 61.79 61.03 1pth h SER 178 Cb 1.12 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.52 1pth h SER 178 CO -0.51 1.01 -0.96 -0.09 -1.14 0.00 0.00 176.83 175.14 1pth h ARG 179 N 0.28 0.29 0.02 3.45 2.43 0.13 -0.92 114.38 120.07 1pth h ARG 179 Ca -0.02 -0.34 -0.21 0.00 -0.81 0.00 0.00 59.98 58.59 1pth h ARG 179 Cb 1.24 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 1pth h ARG 179 CO 0.12 1.06 -0.95 0.00 -1.51 0.00 0.00 179.97 178.69 1pth h ARG 180 N 0.15 0.16 0.00 0.20 2.47 0.05 -3.38 114.38 114.03 1pth h ARG 180 Ca -0.07 -0.21 0.00 0.00 -1.26 0.00 0.00 59.98 58.44 1pth h ARG 180 Cb 1.61 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 30.00 1pth h ARG 180 CO 0.16 0.99 -0.09 1.19 0.56 0.00 0.00 179.97 182.78 1pth n PHE 181 N -3.58 0.00 0.09 3.04 3.72 -0.81 -4.86 117.46 115.06 1pth n PHE 181 Ca -0.04 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.40 1pth n PHE 181 Cb 0.86 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.35 1pth n PHE 181 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1pth n LEU 182 N -0.62 0.10 -4.64 4.37 4.77 -0.70 0.23 117.00 120.51 1pth n LEU 182 Ca 0.00 -0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.41 1pth n LEU 182 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1pth n LEU 182 CO 0.00 0.02 1.34 -0.22 -1.33 0.00 0.00 177.39 177.20 1pth s LEU 183 N -3.19 4.02 0.25 2.23 0.20 -0.43 -1.00 118.68 120.76 1pth s LEU 183 Ca -0.01 1.76 -0.31 0.00 0.69 0.00 0.00 54.13 56.26 1pth s LEU 183 Cb 0.05 -3.53 -0.12 0.00 -0.43 0.00 0.00 46.19 42.16 1pth s LEU 183 CO 0.31 -1.13 1.67 -1.14 -0.29 0.00 0.00 176.35 175.76 1pth n ARG 184 N 7.43 2.77 -0.10 1.98 0.63 -0.28 -4.41 116.66 124.69 1pth n ARG 184 Ca 0.18 0.99 -0.21 0.00 -0.92 0.00 0.00 57.85 57.89 1pth n ARG 184 Cb 0.45 -2.81 -0.07 0.00 0.45 0.00 0.00 32.46 30.47 1pth n ARG 184 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1pth n ARG 185 N 3.11 0.41 -4.17 -0.14 1.74 -1.18 -4.78 116.66 111.65 1pth n ARG 185 Ca 0.12 0.18 -0.19 0.00 -0.77 0.00 0.00 57.85 57.19 1pth n ARG 185 Cb 0.36 -1.19 -0.16 0.00 -1.02 0.00 0.00 32.46 30.45 1pth n ARG 185 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1pth s LYS 186 N -2.35 0.78 0.07 5.56 2.47 -1.26 -5.10 119.74 119.92 1pth s LYS 186 Ca -0.27 -0.11 -0.31 0.00 -1.56 0.00 0.00 55.97 53.72 1pth s LYS 186 Cb 0.10 -0.79 -0.10 0.00 -1.46 0.00 0.00 37.83 35.58 1pth s LYS 186 CO 0.34 -0.06 1.88 0.34 0.16 0.00 0.00 175.35 178.01 1pth n PHE 187 N 3.94 2.55 -3.67 4.03 -0.00 -1.26 -4.92 117.46 118.12 1pth n PHE 187 Ca -0.25 -0.19 -0.38 0.00 -0.00 0.00 0.00 57.45 56.62 1pth n PHE 187 Cb 0.51 -2.74 -0.12 0.00 -0.00 0.00 0.00 39.48 37.13 1pth n PHE 187 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1pth s ILE 188 N 3.37 4.52 0.43 -2.13 1.01 -1.26 -5.07 121.20 122.07 1pth s ILE 188 Ca 0.85 -0.44 -0.16 0.00 0.00 0.00 0.00 60.65 60.90 1pth s ILE 188 Cb -0.50 -3.30 -0.09 0.00 0.01 0.00 0.00 42.46 38.59 1pth s ILE 188 CO 0.40 0.08 0.88 -2.16 0.00 0.00 0.00 174.94 174.15 1pth s PRO 189 N 1.60 3.99 0.11 2.79 0.04 -1.26 -1.00 135.00 141.27 1pth s PRO 189 Ca 0.04 0.84 -0.31 0.00 0.04 0.00 0.00 61.00 61.61 1pth s PRO 189 Cb -0.17 -2.26 -0.08 0.00 0.04 0.00 0.00 34.50 32.03 1pth s PRO 189 CO 0.06 -0.08 1.41 0.34 0.04 0.00 0.00 177.00 178.77 1pth s ASP 190 N -2.72 6.80 0.35 6.66 2.15 -0.15 -4.06 116.67 125.69 1pth s ASP 190 Ca 0.57 2.35 0.12 0.00 0.43 0.00 0.00 52.55 56.01 1pth s ASP 190 Cb -0.10 -2.59 0.64 0.00 -0.30 0.00 0.00 42.92 40.57 1pth s ASP 190 CO 0.24 -0.68 1.78 1.55 -0.17 0.00 0.00 175.17 177.90 1pth h PRO 191 N 6.89 0.03 0.00 4.34 0.13 -1.87 -2.71 132.00 138.81 1pth h PRO 191 Ca -0.42 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1pth h PRO 191 Cb 1.21 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1pth h PRO 191 CO 0.87 0.44 0.00 1.96 -0.23 0.00 0.00 178.00 181.04 1pth h GLN 192 N 0.03 0.00 0.00 0.86 4.20 -1.92 -3.45 115.11 114.83 1pth h GLN 192 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pth h GLN 192 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1pth h GLN 192 CO 0.05 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.62 1pth n GLY 193 N -0.86 0.87 3.71 3.46 0.00 -1.02 -4.90 105.19 106.45 1pth n GLY 193 Ca -0.02 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1pth n GLY 193 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pth s THR 194 N -2.00 3.08 0.00 2.61 2.01 -1.26 -0.06 115.64 120.02 1pth s THR 194 Ca 0.00 0.73 0.00 0.00 0.31 0.00 0.00 61.69 62.73 1pth s THR 194 Cb 0.00 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 69.04 1pth s THR 194 CO 0.00 0.04 0.00 -0.46 -0.69 0.00 0.00 174.62 173.51 1pth n ASN 195 N 4.30 0.49 0.06 3.53 0.23 -0.97 -0.74 115.26 122.16 1pth n ASN 195 Ca 0.13 -0.74 -0.09 0.00 -0.53 0.00 0.00 54.58 53.35 1pth n ASN 195 Cb 0.41 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.16 1pth n ASN 195 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1pth h LEU 196 N 0.00 0.43 -0.80 -4.53 3.38 0.60 -2.78 115.31 111.61 1pth h LEU 196 Ca 0.00 -0.28 0.17 0.00 0.09 0.00 0.00 57.88 57.87 1pth h LEU 196 Cb 0.00 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 40.51 1pth h LEU 196 CO 0.00 1.00 0.30 -0.03 0.09 0.00 0.00 178.44 179.79 1pth h MET 197 N 0.26 0.38 -0.06 1.13 4.05 -1.53 0.21 114.93 119.37 1pth h MET 197 Ca -0.02 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 1pth h MET 197 Cb 1.25 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.96 1pth h MET 197 CO 0.12 0.25 -0.04 0.35 0.23 0.00 0.00 176.91 177.81 1pth h PHE 198 N 0.39 0.16 -0.40 1.39 3.04 -1.79 -0.24 116.94 119.50 1pth h PHE 198 Ca 0.46 -0.04 0.08 0.00 3.98 0.00 0.00 57.97 62.45 1pth h PHE 198 Cb 0.78 -0.04 -0.08 0.00 2.56 0.00 0.00 35.95 39.18 1pth h PHE 198 CO -0.18 0.54 -0.16 0.00 -2.02 0.00 0.00 178.31 176.48 1pth h ALA 199 N 0.59 0.16 -0.39 2.41 0.00 -0.70 0.14 119.26 121.47 1pth h ALA 199 Ca 0.01 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1pth h ALA 199 Cb 0.50 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1pth h ALA 199 CO 0.01 -0.52 -0.02 0.74 0.00 0.00 0.00 179.25 179.46 1pth h PHE 200 N -0.08 0.77 0.19 0.00 0.04 -0.68 -1.38 116.94 115.80 1pth h PHE 200 Ca 0.19 -0.14 0.01 0.00 2.80 0.00 0.00 57.97 60.83 1pth h PHE 200 Cb 0.38 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.29 1pth h PHE 200 CO -0.40 0.80 -0.48 0.35 -0.60 0.00 0.00 178.31 177.97 1pth h PHE 201 N 0.52 -1.38 -0.97 -0.55 3.04 -0.14 0.45 116.94 117.91 1pth h PHE 201 Ca 0.11 0.03 0.26 0.00 3.98 0.00 0.00 57.97 62.35 1pth h PHE 201 Cb 0.51 0.58 -0.13 0.00 2.56 0.00 0.00 35.95 39.46 1pth h PHE 201 CO 0.04 -0.57 0.52 0.00 -2.02 0.00 0.00 178.31 176.28 1pth h ALA 202 N -0.71 1.72 0.39 2.41 0.00 -0.68 0.38 119.26 122.78 1pth h ALA 202 Ca -0.02 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1pth h ALA 202 Cb 0.72 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1pth h ALA 202 CO -0.21 -0.38 -0.19 0.37 0.00 0.00 0.00 179.25 178.83 1pth h GLN 203 N 0.44 -0.51 -0.83 0.00 4.15 -0.20 -1.71 115.11 116.46 1pth h GLN 203 Ca 0.64 0.03 0.18 0.00 0.77 0.00 0.00 58.65 60.28 1pth h GLN 203 Cb 1.30 0.12 -0.11 0.00 0.21 0.00 0.00 27.48 29.00 1pth h GLN 203 CO -0.54 -0.34 0.33 1.25 -1.93 0.00 0.00 178.83 177.60 1pth h HIS 204 N -0.63 0.54 -0.06 3.99 2.76 -0.13 -0.81 115.15 120.80 1pth h HIS 204 Ca -0.05 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1pth h HIS 204 Cb 0.41 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 29.25 1pth h HIS 204 CO 0.09 -0.01 -0.01 0.35 -1.30 0.00 0.00 177.93 177.05 1pth h PHE 205 N 0.40 0.13 0.00 5.26 3.57 -0.31 -2.57 116.94 123.43 1pth h PHE 205 Ca 0.49 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.96 1pth h PHE 205 Cb 0.85 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1pth h PHE 205 CO -0.17 0.43 0.00 0.25 -2.23 0.00 0.00 178.31 176.59 1pth n THR 206 N -4.83 0.86 0.35 4.41 -2.24 -0.64 -2.72 114.28 109.45 1pth n THR 206 Ca -0.07 0.20 -0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1pth n THR 206 Cb 0.21 -0.99 0.11 0.00 -2.10 0.00 0.00 70.33 67.56 1pth n THR 206 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1pth n HIS 207 N -1.75 0.78 0.36 4.78 8.25 -0.36 -1.96 115.22 125.31 1pth n HIS 207 Ca 0.03 -0.43 0.04 0.00 -0.26 0.00 0.00 57.72 57.11 1pth n HIS 207 Cb 0.21 -0.30 -0.06 0.00 1.12 0.00 0.00 29.99 30.96 1pth n HIS 207 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pth n GLN 208 N 0.14 3.37 0.00 -0.41 10.64 -1.10 -4.68 117.38 125.34 1pth n GLN 208 Ca 0.12 -0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.28 1pth n GLN 208 Cb 0.65 -0.98 0.00 0.00 -0.86 0.00 0.00 30.24 29.05 1pth n GLN 208 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20 1pth n PHE 209 N -1.32 0.00 -3.72 2.61 1.16 -1.14 -4.73 117.46 110.32 1pth n PHE 209 Ca 0.01 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.21 1pth n PHE 209 Cb 0.16 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.91 1pth n PHE 209 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 1pth s PHE 210 N -0.65 3.20 -0.43 2.97 0.08 -0.83 -4.86 117.98 117.46 1pth s PHE 210 Ca 0.00 -1.09 0.05 0.00 0.12 0.00 0.00 56.93 56.01 1pth s PHE 210 Cb 0.00 -2.30 0.31 0.00 -0.57 0.00 0.00 43.02 40.46 1pth s PHE 210 CO 0.00 -0.63 1.15 1.17 -0.10 0.00 0.00 175.22 176.81 1pth n LYS 211 N 4.88 0.80 -1.65 0.44 4.81 -1.26 -4.50 118.16 121.68 1pth n LYS 211 Ca -0.13 -1.63 -0.47 0.00 -0.87 0.00 0.00 58.31 55.21 1pth n LYS 211 Cb 0.47 -0.88 -0.04 0.00 0.02 0.00 0.00 35.03 34.59 1pth n LYS 211 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1pth n THR 212 N 0.56 0.44 -2.12 3.15 -1.04 -1.26 -0.32 114.28 113.70 1pth n THR 212 Ca 0.04 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.05 61.51 1pth n THR 212 Cb 0.70 -1.34 -0.03 0.00 -1.82 0.00 0.00 70.33 67.85 1pth n THR 212 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1pth s SER 213 N 0.52 6.75 0.02 8.00 0.15 0.83 -4.74 113.70 125.23 1pth s SER 213 Ca 0.75 2.11 -0.27 0.00 0.70 0.00 0.00 55.95 59.24 1pth s SER 213 Cb -0.73 -2.54 -0.15 0.00 -1.71 0.00 0.00 66.02 60.89 1pth s SER 213 CO 0.45 -0.86 1.15 1.23 1.20 0.00 0.00 173.24 176.41 1pth h GLY 214 N 9.79 -1.00 2.00 9.45 0.00 -1.89 -2.83 103.07 118.59 1pth h GLY 214 Ca -0.36 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1pth h GLY 214 CO 0.95 -0.36 0.00 0.58 0.00 0.00 0.00 176.54 177.71 1pth n LYS 215 N -5.42 0.20 0.02 4.80 0.00 -1.26 -3.09 118.16 113.42 1pth n LYS 215 Ca -0.12 0.44 0.11 0.00 -0.00 0.00 0.00 58.31 58.74 1pth n LYS 215 Cb 0.38 -1.90 0.01 0.00 -0.00 0.00 0.00 35.03 33.52 1pth n LYS 215 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1pth n MET 216 N -2.28 0.25 0.00 -1.58 2.81 -1.19 -5.09 117.12 110.04 1pth n MET 216 Ca 0.02 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1pth n MET 216 Cb 0.22 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 1pth n MET 216 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pth n GLY 217 N 1.39 1.21 3.77 3.03 0.00 -1.07 -4.83 105.19 108.68 1pth n GLY 217 Ca 0.02 -2.02 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 1pth n GLY 217 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pth s PRO 218 N -1.87 2.74 0.00 1.61 0.02 -1.26 -3.18 135.00 133.05 1pth s PRO 218 Ca 0.00 1.40 0.00 0.00 0.02 0.00 0.00 61.00 62.42 1pth s PRO 218 Cb 0.00 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1pth s PRO 218 CO 0.00 -1.30 0.00 0.41 -0.33 0.00 0.00 177.00 175.78 1pth n GLY 219 N -0.50 0.80 3.28 0.52 0.00 -1.26 -5.02 105.19 103.01 1pth n GLY 219 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1pth n GLY 219 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pth s PHE 220 N -3.08 2.14 0.06 1.61 0.40 -1.19 -1.32 117.98 116.60 1pth s PHE 220 Ca 0.00 -0.40 0.06 0.00 -0.60 0.00 0.00 56.93 55.98 1pth s PHE 220 Cb 0.00 -1.37 -0.03 0.00 0.51 0.00 0.00 43.02 42.14 1pth s PHE 220 CO 0.00 -0.02 -0.16 -0.08 0.70 0.00 0.00 175.22 175.66 1pth s THR 221 N -0.58 1.26 -0.34 0.64 -1.32 0.59 -0.12 115.64 115.77 1pth s THR 221 Ca 0.09 -1.24 0.23 0.00 -1.21 0.00 0.00 61.69 59.56 1pth s THR 221 Cb -0.09 -1.17 -0.00 0.00 -1.51 0.00 0.00 72.50 69.73 1pth s THR 221 CO -0.01 -0.09 1.09 0.29 -2.21 0.00 0.00 174.62 173.69 1pth n LYS 222 N 1.49 0.52 -2.81 7.08 4.76 0.57 -4.64 118.16 125.13 1pth n LYS 222 Ca -0.20 0.10 -0.43 0.00 -2.87 0.00 0.00 58.31 54.92 1pth n LYS 222 Cb 0.54 -1.78 -0.02 0.00 -1.84 0.00 0.00 35.03 31.93 1pth n LYS 222 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pth s ALA 223 N -3.32 3.23 -2.00 7.82 0.00 -1.26 -4.84 121.76 121.40 1pth s ALA 223 Ca 0.01 -2.68 0.13 0.00 0.00 0.00 0.00 51.96 49.42 1pth s ALA 223 Cb 0.11 -4.22 0.78 0.00 0.00 0.00 0.00 23.12 19.78 1pth s ALA 223 CO 0.78 -3.16 1.27 1.28 0.00 0.00 0.00 175.76 175.93 1pth n LEU 224 N 7.22 0.00 0.06 0.00 4.77 -1.26 -2.86 117.00 124.92 1pth n LEU 224 Ca 0.29 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.17 1pth n LEU 224 Cb 0.49 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.45 1pth n LEU 224 CO 0.57 0.00 -0.02 1.23 -1.33 0.00 0.00 177.39 177.84 1pth h GLY 225 N 3.59 0.10 -2.33 -0.72 0.00 -1.90 -3.48 103.07 98.33 1pth h GLY 225 Ca 0.00 -0.27 -0.41 0.00 0.00 0.00 0.00 47.33 46.66 1pth h GLY 225 CO 0.00 0.23 -0.47 1.42 0.00 0.00 0.00 176.54 177.73 1pth n HIS 226 N -3.38 -0.67 -1.86 5.60 8.25 -1.14 -4.82 115.22 117.21 1pth n HIS 226 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1pth n HIS 226 Cb 0.98 -3.70 0.00 0.00 1.12 0.00 0.00 29.99 28.39 1pth n HIS 226 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pth n GLY 227 N -0.77 1.21 3.41 -1.41 0.00 -1.26 -4.07 105.19 102.30 1pth n GLY 227 Ca -0.23 -0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 1pth n GLY 227 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pth n VAL 228 N 0.00 4.35 0.42 1.61 0.31 -1.26 -4.58 118.33 119.18 1pth n VAL 228 Ca 0.00 -4.89 0.12 0.00 -0.01 0.00 0.00 64.34 59.56 1pth n VAL 228 Cb 0.00 -2.49 0.20 0.00 -0.91 0.00 0.00 33.84 30.64 1pth n VAL 228 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1pth n ASP 229 N 4.81 3.41 -2.18 4.52 5.75 -1.26 -4.92 116.55 126.68 1pth n ASP 229 Ca 0.34 -2.00 -0.18 0.00 -0.01 0.00 0.00 54.79 52.94 1pth n ASP 229 Cb 0.41 -0.21 -0.03 0.00 -1.03 0.00 0.00 41.12 40.27 1pth n ASP 229 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1pth n LEU 230 N 1.48 -1.55 0.11 -2.12 4.32 -1.26 -4.83 117.00 113.16 1pth n LEU 230 Ca 0.19 0.16 0.09 0.00 -0.02 0.00 0.00 56.01 56.43 1pth n LEU 230 Cb 0.61 -2.60 0.45 0.00 -1.62 0.00 0.00 43.42 40.25 1pth n LEU 230 CO 0.16 -0.38 0.78 0.61 -1.22 0.00 0.00 177.39 177.34 1pth n GLY 231 N -0.78 -0.96 0.05 -0.72 0.00 -1.26 -1.02 105.19 100.50 1pth n GLY 231 Ca -0.20 0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.08 1pth n GLY 231 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1pth n HIS 232 N -2.07 0.00 -0.10 1.61 1.44 -1.26 -1.43 115.22 113.41 1pth n HIS 232 Ca 0.00 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.52 1pth n HIS 232 Cb 0.11 -0.24 -0.08 0.00 0.12 0.00 0.00 29.99 29.89 1pth n HIS 232 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1pth n ILE 233 N -1.15 1.16 1.10 0.61 5.41 -0.19 -2.67 119.36 123.63 1pth n ILE 233 Ca 0.14 -0.36 0.12 0.00 1.00 0.00 0.00 62.75 63.65 1pth n ILE 233 Cb 0.26 -1.53 0.17 0.00 -0.71 0.00 0.00 39.64 37.82 1pth n ILE 233 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1pth n TYR 234 N -3.57 0.00 0.00 1.39 4.01 -1.08 -4.51 117.16 113.40 1pth n TYR 234 Ca -0.39 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.35 1pth n TYR 234 Cb 0.83 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.79 1pth n TYR 234 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pth n GLY 235 N 1.40 2.17 0.16 2.72 0.00 -0.51 -3.40 105.19 107.73 1pth n GLY 235 Ca 0.10 -1.64 0.10 0.00 0.00 0.00 0.00 46.02 44.58 1pth n GLY 235 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pth n ASP 236 N 0.00 0.49 -3.67 1.61 5.75 -1.21 -4.73 116.55 114.79 1pth n ASP 236 Ca 0.00 -1.48 -0.14 0.00 -0.01 0.00 0.00 54.79 53.15 1pth n ASP 236 Cb 0.00 -0.03 -0.08 0.00 -1.03 0.00 0.00 41.12 39.98 1pth n ASP 236 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1pth s ASN 237 N -1.61 -0.48 0.29 -1.12 4.22 -1.26 -4.79 114.94 110.19 1pth s ASN 237 Ca 0.30 0.73 0.02 0.00 -2.14 0.00 0.00 52.86 51.77 1pth s ASN 237 Cb 0.15 0.75 0.72 0.00 1.28 0.00 0.00 41.25 44.15 1pth s ASN 237 CO 0.24 -0.35 1.64 0.25 -2.04 0.00 0.00 177.10 176.84 1pth h LEU 238 N 4.40 -0.01 0.13 3.54 5.85 -1.94 -0.58 115.31 126.71 1pth h LEU 238 Ca -0.28 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1pth h LEU 238 Cb 1.17 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 1pth h LEU 238 CO 0.28 -0.17 -0.13 -0.33 -0.34 0.00 0.00 178.44 177.76 1pth h GLU 239 N 0.20 -0.27 -0.53 1.25 3.07 -1.97 -1.43 114.58 114.90 1pth h GLU 239 Ca 0.56 0.02 0.09 0.00 -0.50 0.00 0.00 59.36 59.53 1pth h GLU 239 Cb 1.14 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 29.08 1pth h GLU 239 CO -0.67 -0.18 0.36 -0.09 -1.40 0.00 0.00 179.01 177.03 1pth h ARG 240 N -0.28 0.31 0.41 2.33 2.43 -1.48 -0.73 114.38 117.37 1pth h ARG 240 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1pth h ARG 240 Cb 0.27 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1pth h ARG 240 CO -0.03 0.21 -0.20 0.37 -1.51 0.00 0.00 179.97 178.81 1pth h GLN 241 N 0.32 -0.53 -0.87 0.20 4.15 -0.65 -2.51 115.11 115.23 1pth h GLN 241 Ca 0.24 0.04 0.25 0.00 0.77 0.00 0.00 58.65 59.95 1pth h GLN 241 Cb 0.53 0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.30 1pth h GLN 241 CO -0.06 -0.22 0.65 1.88 -1.93 0.00 0.00 178.83 179.15 1pth h TYR 242 N -0.90 0.00 -0.10 3.99 0.05 -0.19 0.21 116.97 120.03 1pth h TYR 242 Ca -0.06 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.70 1pth h TYR 242 Cb 0.55 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.29 1pth h TYR 242 CO 0.02 0.00 -0.05 1.96 -1.05 0.00 0.00 178.16 179.04 1pth h GLN 243 N 0.00 0.22 0.00 4.88 1.08 -0.88 -3.13 115.11 117.27 1pth h GLN 243 Ca 0.41 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.52 1pth h GLN 243 Cb 1.71 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 29.13 1pth h GLN 243 CO -0.00 0.56 0.00 1.28 -0.95 0.00 0.00 178.83 179.72 1pth n LEU 244 N -4.73 0.00 -4.77 1.46 7.99 0.59 -4.80 117.00 112.75 1pth n LEU 244 Ca -0.06 0.44 -0.38 0.00 -0.01 0.00 0.00 56.01 55.99 1pth n LEU 244 Cb 0.27 -0.44 -0.06 0.00 -0.11 0.00 0.00 43.42 43.08 1pth n LEU 244 CO 0.36 -0.07 0.61 -0.13 -1.51 0.00 0.00 177.39 176.66 1pth s ARG 245 N -2.87 4.67 -0.02 3.23 0.52 -0.32 -0.92 118.95 123.23 1pth s ARG 245 Ca 0.15 1.34 0.07 0.00 -0.52 0.00 0.00 55.73 56.77 1pth s ARG 245 Cb 0.16 -3.04 -0.24 0.00 0.52 0.00 0.00 34.95 32.35 1pth s ARG 245 CO 0.43 0.42 0.74 1.25 0.02 0.00 0.00 175.30 178.16 1pth h LEU 246 N 3.70 0.12 -1.19 2.53 6.46 -1.39 -3.40 115.31 122.15 1pth h LEU 246 Ca -0.46 -0.22 -0.26 0.00 -0.12 0.00 0.00 57.88 56.81 1pth h LEU 246 Cb 1.20 -0.04 0.11 0.00 -0.73 0.00 0.00 40.66 41.19 1pth h LEU 246 CO 0.66 1.19 -0.50 0.49 -0.62 0.00 0.00 178.44 179.67 1pth n PHE 247 N -3.22 -1.87 -3.66 1.25 3.72 -1.24 -4.97 117.46 107.47 1pth n PHE 247 Ca -0.16 0.70 -0.06 0.00 -0.05 0.00 0.00 57.45 57.87 1pth n PHE 247 Cb 1.03 -3.96 -0.08 0.00 -0.94 0.00 0.00 39.48 35.54 1pth n PHE 247 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1pth s LYS 248 N -5.60 0.43 -0.86 -1.08 2.36 -1.26 -4.88 119.74 108.84 1pth s LYS 248 Ca 0.27 1.15 0.00 0.00 -2.55 0.00 0.00 55.97 54.84 1pth s LYS 248 Cb -0.12 0.45 0.00 0.00 -1.05 0.00 0.00 37.83 37.11 1pth s LYS 248 CO 0.51 -0.22 0.00 -0.25 1.55 0.00 0.00 175.35 176.94 1pth n ASP 249 N 5.23 -4.41 -0.12 1.43 8.00 -1.26 -0.96 116.55 124.46 1pth n ASP 249 Ca -0.12 0.20 -0.02 0.00 0.71 0.00 0.00 54.79 55.57 1pth n ASP 249 Cb 0.50 -3.33 -0.01 0.00 -0.02 0.00 0.00 41.12 38.27 1pth n ASP 249 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pth n GLY 250 N 0.23 0.53 3.90 0.44 0.00 -1.26 -4.68 105.19 104.34 1pth n GLY 250 Ca -0.08 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 1pth n GLY 250 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pth s LYS 251 N -1.43 3.02 -0.12 1.61 1.02 -0.13 -4.18 119.74 119.53 1pth s LYS 251 Ca 0.00 0.31 -0.06 0.00 0.02 0.00 0.00 55.97 56.23 1pth s LYS 251 Cb 0.00 -2.15 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 1pth s LYS 251 CO 0.00 -0.79 0.11 -1.17 -0.92 0.00 0.00 175.35 172.58 1pth s LEU 252 N -5.16 4.20 0.72 3.17 2.96 -1.26 -1.11 118.68 122.20 1pth s LEU 252 Ca 0.55 0.38 -0.16 0.00 -0.22 0.00 0.00 54.13 54.68 1pth s LEU 252 Cb -0.11 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.59 1pth s LEU 252 CO 0.49 0.39 1.14 0.29 -1.32 0.00 0.00 176.35 177.33 1pth n LYS 253 N 2.13 0.63 -2.52 1.98 5.02 -0.09 -4.66 118.16 120.64 1pth n LYS 253 Ca -0.19 0.28 -0.05 0.00 -2.02 0.00 0.00 58.31 56.32 1pth n LYS 253 Cb 0.54 -2.38 0.01 0.00 -0.02 0.00 0.00 35.03 33.19 1pth n LYS 253 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1pth n TYR 254 N -2.51 -1.64 -3.85 2.13 0.18 -1.26 -4.25 117.16 105.96 1pth n TYR 254 Ca 0.14 -1.02 -0.09 0.00 1.88 0.00 0.00 57.90 58.81 1pth n TYR 254 Cb 0.49 0.47 -0.07 0.00 -0.38 0.00 0.00 39.34 39.85 1pth n TYR 254 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 1pth s GLN 255 N -2.09 0.86 -0.13 -3.48 -2.07 -0.50 -4.57 119.66 107.68 1pth s GLN 255 Ca 0.09 -0.95 -0.02 0.00 -1.82 0.00 0.00 55.36 52.66 1pth s GLN 255 Cb -0.02 0.35 -0.03 0.00 -1.09 0.00 0.00 33.01 32.22 1pth s GLN 255 CO 0.07 -0.28 -0.04 -1.64 -1.32 0.00 0.00 175.29 172.07 1pth s MET 256 N -3.86 3.41 -0.03 9.60 -1.94 -1.26 -0.96 119.30 124.27 1pth s MET 256 Ca 0.05 -0.52 -0.00 0.00 -1.71 0.00 0.00 55.69 53.51 1pth s MET 256 Cb 0.05 -2.82 0.03 0.00 2.01 0.00 0.00 34.83 34.09 1pth s MET 256 CO -0.11 0.37 0.02 -0.51 -0.01 0.00 0.00 175.02 174.78 1pth s LEU 257 N 0.01 0.96 -1.42 -0.03 1.43 0.07 -4.76 118.68 114.94 1pth s LEU 257 Ca 0.00 0.01 -0.08 0.00 -1.03 0.00 0.00 54.13 53.03 1pth s LEU 257 Cb -0.13 -0.16 0.05 0.00 0.03 0.00 0.00 46.19 45.98 1pth s LEU 257 CO 0.03 -0.14 0.62 0.59 0.23 0.00 0.00 176.35 177.68 1pth n ASN 258 N 4.36 -4.77 -2.70 2.29 3.02 -1.26 0.12 115.26 116.33 1pth n ASN 258 Ca -0.23 -0.42 -0.19 0.00 -0.03 0.00 0.00 54.58 53.71 1pth n ASN 258 Cb 0.50 -3.88 0.00 0.00 -0.61 0.00 0.00 39.78 35.80 1pth n ASN 258 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pth n GLY 259 N -1.39 -0.50 3.18 7.41 0.00 -1.26 -4.97 105.19 107.66 1pth n GLY 259 Ca -0.04 0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 1pth n GLY 259 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pth s GLU 260 N -5.34 0.85 -0.13 1.61 0.41 0.12 -5.09 118.70 111.13 1pth s GLU 260 Ca 0.13 -1.00 -0.25 0.00 -0.41 0.00 0.00 54.97 53.44 1pth s GLU 260 Cb -0.06 -0.82 -0.02 0.00 -1.78 0.00 0.00 34.13 31.44 1pth s GLU 260 CO 0.16 0.18 0.81 0.08 -0.49 0.00 0.00 175.26 176.00 1pth s VAL 261 N -1.45 4.93 0.27 2.63 1.01 -1.26 -0.75 120.40 125.77 1pth s VAL 261 Ca -0.00 1.62 0.02 0.00 0.00 0.00 0.00 61.98 63.61 1pth s VAL 261 Cb -0.09 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 1pth s VAL 261 CO 0.02 0.10 0.09 -0.31 0.00 0.00 0.00 175.10 175.00 1pth s TYR 262 N 1.67 1.59 1.23 5.22 2.02 -0.13 -4.97 117.35 123.98 1pth s TYR 262 Ca 0.39 -1.15 -0.14 0.00 -0.37 0.00 0.00 57.07 55.80 1pth s TYR 262 Cb -0.17 -0.94 0.31 0.00 -0.40 0.00 0.00 41.96 40.76 1pth s TYR 262 CO 0.15 -0.29 1.00 -2.14 -1.57 0.00 0.00 175.55 172.70 1pth s PRO 263 N -4.02 -1.45 0.92 -1.71 0.02 -1.26 -1.41 135.00 126.09 1pth s PRO 263 Ca 0.38 0.75 -0.14 0.00 0.02 0.00 0.00 61.00 62.00 1pth s PRO 263 Cb 0.08 -1.50 0.16 0.00 0.02 0.00 0.00 34.50 33.26 1pth s PRO 263 CO 0.14 -4.05 1.24 -1.25 -0.33 0.00 0.00 177.00 172.75 1pth s PRO 264 N -4.47 1.03 0.27 5.54 0.04 -1.26 -3.75 135.00 132.41 1pth s PRO 264 Ca 0.69 -0.14 -0.10 0.00 0.04 0.00 0.00 61.00 61.49 1pth s PRO 264 Cb -0.24 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 1pth s PRO 264 CO 0.65 -2.19 0.61 -1.54 0.04 0.00 0.00 177.00 174.57 1pth s SER 265 N -4.63 6.62 0.64 6.66 1.04 -1.26 -1.18 113.70 121.58 1pth s SER 265 Ca 0.69 0.98 0.36 0.00 0.48 0.00 0.00 55.95 58.45 1pth s SER 265 Cb -0.08 -2.25 1.99 0.00 0.10 0.00 0.00 66.02 65.78 1pth s SER 265 CO 0.52 -0.15 2.20 0.58 0.98 0.00 0.00 173.24 177.36 1pth h VAL 266 N 1.80 0.20 0.20 5.02 2.07 -0.74 0.25 116.25 125.04 1pth h VAL 266 Ca -0.47 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1pth h VAL 266 Cb 1.18 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1pth h VAL 266 CO 0.67 0.00 -0.09 -0.08 0.02 0.00 0.00 177.57 178.09 1pth h GLU 267 N 0.00 -0.26 0.42 1.57 4.81 -1.83 -2.49 114.58 116.81 1pth h GLU 267 Ca 0.02 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1pth h GLU 267 Cb 0.27 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1pth h GLU 267 CO -0.00 0.13 -0.34 0.93 -0.73 0.00 0.00 179.01 179.00 1pth h GLU 268 N -0.75 -0.74 -3.41 1.92 4.39 -0.99 -3.34 114.58 111.66 1pth h GLU 268 Ca -0.03 0.05 -0.67 0.00 0.34 0.00 0.00 59.36 59.05 1pth h GLU 268 Cb 0.50 0.17 -0.38 0.00 -0.10 0.00 0.00 28.75 28.94 1pth h GLU 268 CO 0.04 -0.49 -0.44 0.00 -1.16 0.00 0.00 179.01 176.96 1pth s ALA 269 N -6.02 3.61 -0.92 3.43 0.00 0.07 -4.99 121.76 116.95 1pth s ALA 269 Ca -0.17 -3.42 -0.26 0.00 0.00 0.00 0.00 51.96 48.12 1pth s ALA 269 Cb 0.05 -2.46 -0.20 0.00 0.00 0.00 0.00 23.12 20.51 1pth s ALA 269 CO 0.63 -2.09 1.96 -0.35 0.00 0.00 0.00 175.76 175.91 1pth n PRO 270 N 3.02 0.74 -4.18 0.00 -0.04 -0.94 -4.40 135.00 129.20 1pth n PRO 270 Ca 0.10 -1.87 -0.23 0.00 -0.04 0.00 0.00 63.50 61.46 1pth n PRO 270 Cb 0.35 -3.55 -0.07 0.00 -0.04 0.00 0.00 33.50 30.20 1pth n PRO 270 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1pth s VAL 271 N 12.42 3.02 -0.08 0.52 0.11 -1.26 -5.06 120.40 130.07 1pth s VAL 271 Ca 0.73 -1.79 -0.23 0.00 -2.93 0.00 0.00 61.98 57.76 1pth s VAL 271 Cb 0.02 -2.92 -0.04 0.00 -1.53 0.00 0.00 36.38 31.91 1pth s VAL 271 CO 0.19 -0.22 0.70 -0.22 -3.33 0.00 0.00 175.10 172.23 1pth s LEU 272 N -3.79 4.30 0.26 2.54 1.98 -1.26 -4.98 118.68 117.73 1pth s LEU 272 Ca 0.36 1.18 0.04 0.00 -2.89 0.00 0.00 54.13 52.81 1pth s LEU 272 Cb -0.03 -3.08 -0.06 0.00 0.66 0.00 0.00 46.19 43.69 1pth s LEU 272 CO 0.22 -0.13 0.01 -0.04 -1.89 0.00 0.00 176.35 174.51 1pth s MET 273 N 0.90 1.45 -0.37 1.98 -1.94 -1.26 -4.48 119.30 115.58 1pth s MET 273 Ca 0.37 -1.76 0.00 0.00 -1.71 0.00 0.00 55.69 52.60 1pth s MET 273 Cb -0.18 -0.72 0.10 0.00 2.01 0.00 0.00 34.83 36.04 1pth s MET 273 CO 0.18 -0.12 0.12 -1.01 -0.01 0.00 0.00 175.02 174.18 1pth s HIS 274 N -3.36 3.64 -0.03 -0.03 3.76 -0.99 -5.01 115.29 113.27 1pth s HIS 274 Ca 0.31 -2.63 0.03 0.00 -0.15 0.00 0.00 55.06 52.62 1pth s HIS 274 Cb 0.06 -3.00 0.00 0.00 1.11 0.00 0.00 32.58 30.76 1pth s HIS 274 CO 0.11 -0.95 -0.11 0.71 -0.85 0.00 0.00 174.74 173.65 1pth s TYR 275 N 1.05 1.12 0.28 1.40 2.02 -1.26 -4.56 117.35 117.40 1pth s TYR 275 Ca 0.08 -0.30 -0.28 0.00 -0.37 0.00 0.00 57.07 56.20 1pth s TYR 275 Cb -0.21 -0.79 -0.14 0.00 -0.40 0.00 0.00 41.96 40.41 1pth s TYR 275 CO -0.06 -0.12 0.95 -0.35 -1.57 0.00 0.00 175.55 174.40 1pth n PRO 276 N 3.31 1.18 -1.69 -1.71 -0.04 -1.26 -4.79 135.00 129.99 1pth n PRO 276 Ca -0.19 0.41 -0.44 0.00 -0.04 0.00 0.00 63.50 63.25 1pth n PRO 276 Cb 0.54 -1.74 -0.03 0.00 -0.04 0.00 0.00 33.50 32.22 1pth n PRO 276 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1pth n ARG 277 N 0.76 2.55 0.00 0.54 1.74 -1.26 -2.22 116.66 118.78 1pth n ARG 277 Ca 0.11 0.92 0.00 0.00 -0.77 0.00 0.00 57.85 58.11 1pth n ARG 277 Cb 0.31 -2.76 0.00 0.00 -1.02 0.00 0.00 32.46 28.99 1pth n ARG 277 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pth n GLY 278 N 3.87 1.92 3.70 -0.13 0.00 -1.26 -5.07 105.19 108.22 1pth n GLY 278 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1pth n GLY 278 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pth s ILE 279 N -1.78 5.08 0.43 -0.61 1.01 -0.94 -5.05 121.20 119.33 1pth s ILE 279 Ca 0.00 1.22 -0.16 0.00 0.00 0.00 0.00 60.65 61.71 1pth s ILE 279 Cb 0.00 -3.95 -0.09 0.00 0.01 0.00 0.00 42.46 38.44 1pth s ILE 279 CO 0.00 0.22 0.88 -2.16 0.00 0.00 0.00 174.94 173.88 1pth s PRO 280 N 1.14 3.99 0.20 2.79 0.04 -1.26 -4.97 135.00 136.93 1pth s PRO 280 Ca 0.31 0.83 -0.15 0.00 0.04 0.00 0.00 61.00 62.03 1pth s PRO 280 Cb -0.16 -2.27 0.19 0.00 0.04 0.00 0.00 34.50 32.30 1pth s PRO 280 CO 0.13 -0.07 1.64 -1.35 0.04 0.00 0.00 177.00 177.39 1pth h PRO 281 N 1.52 -0.01 0.00 0.56 0.11 -1.96 0.65 132.00 132.87 1pth h PRO 281 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1pth h PRO 281 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1pth h PRO 281 CO 0.63 -0.01 0.17 -0.56 -0.21 0.00 0.00 178.00 178.02 1pth h GLN 282 N -0.01 0.00 -0.31 1.05 -0.00 -1.94 0.21 115.11 114.11 1pth h GLN 282 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.92 1pth h GLN 282 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.90 1pth h GLN 282 CO -0.58 0.00 0.00 0.43 -0.00 0.00 0.00 178.83 178.68 1pth n SER 283 N -2.58 2.98 -4.45 0.06 7.64 0.22 -4.90 113.62 112.59 1pth n SER 283 Ca -0.02 -2.14 -0.33 0.00 1.01 0.00 0.00 58.87 57.39 1pth n SER 283 Cb 0.21 -0.26 -0.14 0.00 -1.01 0.00 0.00 64.21 63.02 1pth n SER 283 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1pth s GLN 284 N -1.26 2.53 -0.18 1.43 -0.21 0.72 -4.89 119.66 117.80 1pth s GLN 284 Ca 0.24 -0.72 -0.14 0.00 0.02 0.00 0.00 55.36 54.75 1pth s GLN 284 Cb 0.14 -2.36 -0.04 0.00 1.00 0.00 0.00 33.01 31.75 1pth s GLN 284 CO 0.14 0.58 0.33 -1.64 -2.12 0.00 0.00 175.29 172.57 1pth s MET 285 N -0.62 4.23 -0.03 2.91 -1.94 -1.26 -0.47 119.30 122.12 1pth s MET 285 Ca 0.09 0.13 -0.26 0.00 -1.71 0.00 0.00 55.69 53.94 1pth s MET 285 Cb -0.11 -3.47 -0.04 0.00 2.01 0.00 0.00 34.83 33.22 1pth s MET 285 CO 0.01 0.14 0.80 0.00 -0.01 0.00 0.00 175.02 175.96 1pth s ALA 286 N 0.77 3.28 0.00 3.03 0.00 -0.32 -4.79 121.76 123.73 1pth s ALA 286 Ca 0.17 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1pth s ALA 286 Cb -0.14 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1pth s ALA 286 CO 0.06 -0.12 0.00 1.33 0.00 0.00 0.00 175.76 177.02 1pth n VAL 287 N 3.67 0.00 0.00 0.00 0.24 -1.26 -4.22 118.33 116.76 1pth n VAL 287 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1pth n VAL 287 Cb 0.51 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 1pth n VAL 287 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pth n GLY 288 N 0.57 4.06 3.03 7.63 0.00 -1.26 -4.47 105.19 114.75 1pth n GLY 288 Ca 0.00 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 1pth n GLY 288 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pth s GLN 289 N 0.00 2.72 0.09 1.61 -0.44 -1.09 -4.10 119.66 118.45 1pth s GLN 289 Ca 0.00 -3.01 -0.02 0.00 -2.50 0.00 0.00 55.36 49.83 1pth s GLN 289 Cb 0.00 -3.68 0.16 0.00 -1.64 0.00 0.00 33.01 27.84 1pth s GLN 289 CO 0.00 -1.23 0.49 0.39 0.50 0.00 0.00 175.29 175.44 1pth n GLU 290 N 2.65 -0.03 -0.22 1.67 4.71 -1.26 0.14 120.64 128.31 1pth n GLU 290 Ca 0.15 0.48 -0.09 0.00 -0.01 0.00 0.00 57.16 57.70 1pth n GLU 290 Cb 0.36 -0.73 0.03 0.00 -1.01 0.00 0.00 31.44 30.09 1pth n GLU 290 CO 0.00 0.00 0.00 -0.24 0.09 0.00 0.00 177.13 176.98 1pth h VAL 291 N 0.00 1.26 0.00 2.62 3.04 -1.92 -2.60 116.25 118.66 1pth h VAL 291 Ca 0.16 -1.11 0.00 0.00 -1.01 0.00 0.00 66.70 64.73 1pth h VAL 291 Cb 0.25 0.77 0.00 0.00 -2.01 0.00 0.00 31.29 30.30 1pth h VAL 291 CO -0.32 0.41 0.69 -0.26 -1.01 0.00 0.00 177.57 177.08 1pth h PHE 292 N 0.97 0.00 0.00 3.17 -1.00 -0.67 -1.85 116.94 117.55 1pth h PHE 292 Ca 0.18 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.96 1pth h PHE 292 Cb 0.52 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.08 1pth h PHE 292 CO 0.04 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.15 1pth n GLY 293 N -1.34 -0.69 2.64 -1.45 0.00 -1.20 -3.78 105.19 99.38 1pth n GLY 293 Ca -0.00 0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1pth n GLY 293 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1pth n LEU 294 N -1.89 2.62 0.00 0.99 -0.00 -0.70 -4.88 117.00 113.14 1pth n LEU 294 Ca -0.01 -5.15 0.00 0.00 -0.00 0.00 0.00 56.01 50.86 1pth n LEU 294 Cb 0.02 -0.47 0.00 0.00 -0.00 0.00 0.00 43.42 42.98 1pth n LEU 294 CO 0.05 1.89 0.00 0.18 -0.00 0.00 0.00 177.39 179.51 1pth n LEU 295 N 1.68 0.00 -0.54 1.47 4.77 -1.26 -4.69 117.00 118.42 1pth n LEU 295 Ca 0.24 0.00 0.44 0.00 -0.03 0.00 0.00 56.01 56.67 1pth n LEU 295 Cb 0.40 0.00 0.76 0.00 -2.33 0.00 0.00 43.42 42.24 1pth n LEU 295 CO 0.28 0.00 1.38 1.55 -1.33 0.00 0.00 177.39 179.27 1pth h PRO 296 N 0.00 0.03 0.05 3.23 0.13 -1.83 0.34 132.00 133.95 1pth h PRO 296 Ca 0.00 -0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.15 1pth h PRO 296 Cb 0.00 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.08 1pth h PRO 296 CO 0.00 0.02 -0.28 0.78 -0.23 0.00 0.00 178.00 178.29 1pth h GLY 297 N 0.03 -0.47 0.88 1.56 0.00 -1.95 0.40 103.07 103.53 1pth h GLY 297 Ca 0.81 0.33 -0.04 0.00 0.00 0.00 0.00 47.33 48.43 1pth h GLY 297 CO -0.12 -0.22 -0.46 1.41 0.00 0.00 0.00 176.54 177.15 1pth h LEU 298 N -0.45 -1.10 -1.99 3.11 4.07 -0.62 -2.38 115.31 115.94 1pth h LEU 298 Ca 0.05 0.05 0.17 0.00 0.08 0.00 0.00 57.88 58.23 1pth h LEU 298 Cb 0.51 0.30 -0.02 0.00 1.08 0.00 0.00 40.66 42.53 1pth h LEU 298 CO -0.21 -0.75 0.48 -0.03 -1.08 0.00 0.00 178.44 176.86 1pth h MET 299 N -1.23 0.00 0.64 1.13 4.05 -1.40 -0.07 114.93 118.05 1pth h MET 299 Ca -0.12 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.27 1pth h MET 299 Cb 0.95 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.76 1pth h MET 299 CO 0.18 0.00 -0.31 1.25 0.23 0.00 0.00 176.91 178.26 1pth h LEU 300 N 0.00 -0.73 -0.77 3.39 7.12 0.32 -0.03 115.31 124.62 1pth h LEU 300 Ca 0.28 0.02 -0.06 0.00 0.13 0.00 0.00 57.88 58.25 1pth h LEU 300 Cb 1.25 0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 41.53 1pth h LEU 300 CO -0.00 -0.50 0.24 1.88 -0.13 0.00 0.00 178.44 179.93 1pth h TYR 301 N -0.89 1.21 -0.49 1.25 0.05 -1.00 -2.16 116.97 114.93 1pth h TYR 301 Ca -0.09 -0.12 0.07 0.00 0.05 0.00 0.00 58.73 58.64 1pth h TYR 301 Cb 0.67 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 38.03 1pth h TYR 301 CO -0.02 0.95 0.33 0.00 -1.05 0.00 0.00 178.16 178.36 1pth h ALA 302 N 1.14 1.99 -0.11 3.88 0.00 -0.74 -0.27 119.26 125.15 1pth h ALA 302 Ca 0.24 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1pth h ALA 302 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1pth h ALA 302 CO -0.01 -0.08 -0.33 1.15 0.00 0.00 0.00 179.25 179.97 1pth h THR 303 N 0.36 1.39 0.44 0.00 2.02 -0.40 -2.24 112.91 114.48 1pth h THR 303 Ca 0.22 -1.66 -0.01 0.00 0.77 0.00 0.00 66.41 65.73 1pth h THR 303 Cb 0.39 2.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 1pth h THR 303 CO -0.05 0.49 -0.40 0.40 0.37 0.00 0.00 175.52 176.32 1pth h ILE 304 N -0.02 0.19 -0.29 3.11 2.04 -0.57 0.60 117.51 122.58 1pth h ILE 304 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 1pth h ILE 304 Cb 0.96 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1pth h ILE 304 CO 0.07 0.00 0.20 -0.50 0.00 0.00 0.00 178.15 177.92 1pth h TRP 305 N -0.85 0.19 0.11 1.37 4.06 -1.21 0.12 115.95 119.74 1pth h TRP 305 Ca -0.04 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.91 1pth h TRP 305 Cb 0.74 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.84 1pth h TRP 305 CO -0.20 0.11 -0.05 1.25 -3.56 0.00 0.00 178.44 175.98 1pth h LEU 306 N 0.19 -0.12 -0.77 -4.49 6.46 -0.75 -1.97 115.31 113.85 1pth h LEU 306 Ca 0.13 -0.32 0.17 0.00 -0.12 0.00 0.00 57.88 57.74 1pth h LEU 306 Cb 0.27 0.03 -0.11 0.00 -0.73 0.00 0.00 40.66 40.12 1pth h LEU 306 CO -0.02 0.27 0.24 0.03 -0.62 0.00 0.00 178.44 178.34 1pth h ARG 307 N -0.54 0.31 0.80 1.25 3.08 0.30 -1.58 114.38 117.99 1pth h ARG 307 Ca -0.02 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1pth h ARG 307 Cb 0.44 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1pth h ARG 307 CO 0.02 0.21 -0.41 1.49 -1.07 0.00 0.00 179.97 180.21 1pth h GLU 308 N 0.32 -1.07 -1.01 0.04 4.57 -0.66 -1.37 114.58 115.41 1pth h GLU 308 Ca 0.44 0.07 0.22 0.00 -1.18 0.00 0.00 59.36 58.92 1pth h GLU 308 Cb 0.77 0.24 -0.12 0.00 -0.16 0.00 0.00 28.75 29.48 1pth h GLU 308 CO -0.50 -0.72 0.60 1.25 -1.18 0.00 0.00 179.01 178.47 1pth h HIS 309 N -1.11 1.04 -0.48 0.92 2.76 -0.77 0.13 115.15 117.64 1pth h HIS 309 Ca -0.11 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 57.99 1pth h HIS 309 Cb 0.87 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 1pth h HIS 309 CO -0.04 0.14 -0.10 -0.91 -1.30 0.00 0.00 177.93 175.72 1pth h ASN 310 N 0.66 0.92 -0.51 3.26 4.21 -0.87 -2.30 115.58 120.94 1pth h ASN 310 Ca 0.62 -0.36 -0.01 0.00 1.21 0.00 0.00 56.30 57.76 1pth h ASN 310 Cb 1.08 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 38.01 1pth h ASN 310 CO -0.43 1.06 0.29 -0.09 -1.29 0.00 0.00 177.43 176.97 1pth h ARG 311 N 0.76 0.70 -0.86 0.81 2.43 0.32 -2.23 114.38 116.32 1pth h ARG 311 Ca 0.12 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1pth h ARG 311 Cb 0.65 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 1pth h ARG 311 CO 0.05 0.53 0.51 0.28 -1.51 0.00 0.00 179.97 179.83 1pth h VAL 312 N 0.68 1.24 -0.61 0.20 2.07 -1.11 -2.11 116.25 116.61 1pth h VAL 312 Ca 0.18 -0.54 0.10 0.00 0.82 0.00 0.00 66.70 67.27 1pth h VAL 312 Cb 0.02 0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 29.76 1pth h VAL 312 CO -0.03 0.25 0.20 0.00 0.02 0.00 0.00 177.57 178.01 1pth h ASP 314 N 0.35 0.92 0.40 0.00 3.32 -1.10 -0.28 116.42 120.05 1pth h ASP 314 Ca 0.31 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.36 1pth h ASP 314 Cb 0.42 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1pth h ASP 314 CO -0.34 0.57 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.49 1pth h LEU 315 N 1.04 -0.46 -0.77 1.55 3.38 -0.66 -2.57 115.31 116.82 1pth h LEU 315 Ca 0.42 -0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.46 1pth h LEU 315 Cb 0.27 0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 1pth h LEU 315 CO -0.17 -0.19 0.33 -0.07 0.09 0.00 0.00 178.44 178.42 1pth h LEU 316 N -0.71 0.33 -1.54 1.67 -0.00 -0.70 -0.43 115.31 113.93 1pth h LEU 316 Ca -0.06 0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1pth h LEU 316 Cb 0.50 0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.21 1pth h LEU 316 CO 0.09 0.12 0.30 0.50 -0.00 0.00 0.00 178.44 179.46 1pth h LYS 317 N 0.48 0.61 1.01 1.13 1.63 -0.92 0.63 116.57 121.13 1pth h LYS 317 Ca 0.42 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 60.14 1pth h LYS 317 Cb 0.64 -0.14 0.01 0.00 -0.60 0.00 0.00 32.23 32.14 1pth h LYS 317 CO -0.40 0.41 -0.48 0.00 -3.45 0.00 0.00 179.45 175.53 1pth h ALA 318 N 1.71 -1.36 -0.40 5.00 0.00 -0.66 -2.76 119.26 120.78 1pth h ALA 318 Ca 0.17 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1pth h ALA 318 Cb -0.07 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1pth h ALA 318 CO -0.04 -1.26 0.26 0.93 0.00 0.00 0.00 179.25 179.14 1pth h GLU 319 N -1.35 0.51 -3.05 0.00 4.39 -1.22 -3.33 114.58 110.52 1pth h GLU 319 Ca -0.14 -0.03 -0.68 0.00 0.34 0.00 0.00 59.36 58.85 1pth h GLU 319 Cb 1.04 -0.11 -0.37 0.00 -0.10 0.00 0.00 28.75 29.20 1pth h GLU 319 CO 0.23 0.34 -0.16 0.72 -1.16 0.00 0.00 179.01 178.97 1pth n HIS 320 N -4.82 3.80 0.07 4.33 8.25 0.22 -4.81 115.22 122.25 1pth n HIS 320 Ca 0.01 -4.02 0.04 0.00 -0.26 0.00 0.00 57.72 53.49 1pth n HIS 320 Cb 0.04 -0.97 0.46 0.00 1.12 0.00 0.00 29.99 30.63 1pth n HIS 320 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1pth h PRO 321 N 5.53 0.38 0.00 -0.41 0.13 -1.61 0.10 132.00 136.13 1pth h PRO 321 Ca 0.17 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1pth h PRO 321 Cb 0.76 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1pth h PRO 321 CO 0.88 0.29 0.00 0.25 -0.23 0.00 0.00 178.00 179.19 1pth n THR 322 N -4.46 0.26 -2.55 1.56 -2.24 -1.26 -4.87 114.28 100.72 1pth n THR 322 Ca 0.01 0.07 -0.33 0.00 -2.27 0.00 0.00 64.05 61.53 1pth n THR 322 Cb 0.10 -0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 67.56 1pth n THR 322 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1pth s TRP 323 N -2.41 3.36 0.45 4.78 0.52 0.02 -5.08 118.94 120.59 1pth s TRP 323 Ca 0.23 1.53 0.08 0.00 0.02 0.00 0.00 56.10 57.96 1pth s TRP 323 Cb 0.14 -2.83 0.02 0.00 -1.15 0.00 0.00 33.47 29.65 1pth s TRP 323 CO 0.30 -0.32 0.55 0.20 0.02 0.00 0.00 176.95 177.70 1pth s GLY 324 N -2.69 1.98 0.00 0.98 0.00 -1.26 -4.94 107.32 101.39 1pth s GLY 324 Ca 0.61 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1pth s GLY 324 CO 0.24 -1.61 0.60 1.34 0.00 0.00 0.00 173.10 173.68 1pth n ASP 325 N -1.84 0.00 -0.38 1.64 2.03 -1.26 -0.86 116.55 115.88 1pth n ASP 325 Ca 0.08 0.60 -0.08 0.00 0.52 0.00 0.00 54.79 55.91 1pth n ASP 325 Cb 0.60 -0.10 -0.06 0.00 -0.72 0.00 0.00 41.12 40.84 1pth n ASP 325 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1pth n GLU 326 N -1.16 -0.36 -0.28 -0.67 -0.58 -1.26 0.68 120.64 117.01 1pth n GLU 326 Ca 0.00 1.41 0.06 0.00 -0.42 0.00 0.00 57.16 58.21 1pth n GLU 326 Cb 0.00 -2.08 0.16 0.00 -0.57 0.00 0.00 31.44 28.95 1pth n GLU 326 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1pth h GLN 327 N 0.00 0.06 0.50 3.49 5.75 -1.93 0.58 115.11 123.56 1pth h GLN 327 Ca 0.19 -0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.66 1pth h GLN 327 Cb 0.42 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.96 1pth h GLN 327 CO -0.89 0.04 -0.24 -0.07 -2.65 0.00 0.00 178.83 175.03 1pth h LEU 328 N 0.06 -0.56 -0.05 -2.39 3.38 0.22 -1.53 115.31 114.45 1pth h LEU 328 Ca 0.43 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.34 1pth h LEU 328 Cb 0.77 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1pth h LEU 328 CO -0.74 -0.21 -0.15 0.15 0.09 0.00 0.00 178.44 177.57 1pth h PHE 329 N -0.96 -0.45 -0.85 1.13 3.57 0.91 0.18 116.94 120.48 1pth h PHE 329 Ca -0.07 0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.65 1pth h PHE 329 Cb 0.60 0.20 -0.15 0.00 2.79 0.00 0.00 35.95 39.39 1pth h PHE 329 CO 0.01 -0.15 -0.04 1.96 -2.23 0.00 0.00 178.31 177.86 1pth h GLN 330 N -0.15 0.05 -0.66 1.11 1.08 0.01 -0.11 115.11 116.45 1pth h GLN 330 Ca 0.01 -0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 1pth h GLN 330 Cb 0.18 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 1pth h GLN 330 CO -0.13 0.04 0.12 1.15 -0.95 0.00 0.00 178.83 179.06 1pth h THR 331 N 0.06 1.26 -0.26 -0.54 2.02 -0.50 -2.37 112.91 112.58 1pth h THR 331 Ca 0.47 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1pth h THR 331 Cb 0.84 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1pth h THR 331 CO -0.79 0.38 0.17 0.00 0.37 0.00 0.00 175.52 175.65 1pth h ALA 332 N 1.05 0.33 -0.88 6.16 0.00 0.11 -1.96 119.26 124.07 1pth h ALA 332 Ca 0.20 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1pth h ALA 332 Cb 0.42 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1pth h ALA 332 CO 0.01 -0.20 0.57 -0.09 0.00 0.00 0.00 179.25 179.55 1pth h ARG 333 N 0.35 0.91 -0.70 0.00 2.43 -1.06 -0.28 114.38 116.04 1pth h ARG 333 Ca 0.10 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1pth h ARG 333 Cb -0.04 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.27 1pth h ARG 333 CO -0.02 0.60 0.19 -0.07 -1.51 0.00 0.00 179.97 179.16 1pth h LEU 334 N 0.94 1.05 -0.15 3.80 -0.00 -0.87 -2.02 115.31 118.06 1pth h LEU 334 Ca 0.39 -0.22 -0.02 0.00 -0.00 0.00 0.00 57.88 58.03 1pth h LEU 334 Cb 0.30 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 1pth h LEU 334 CO -0.16 1.00 0.00 0.40 -0.00 0.00 0.00 178.44 179.68 1pth h ILE 335 N 1.05 1.25 -0.76 1.22 2.04 -0.40 -2.23 117.51 119.67 1pth h ILE 335 Ca 0.22 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.29 1pth h ILE 335 Cb 0.35 1.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 1pth h ILE 335 CO -0.00 0.24 0.50 -0.07 0.00 0.00 0.00 178.15 178.82 1pth h LEU 336 N 0.00 0.86 -0.95 1.44 4.07 -1.10 0.14 115.31 119.78 1pth h LEU 336 Ca 0.04 -0.02 0.11 0.00 0.08 0.00 0.00 57.88 58.10 1pth h LEU 336 Cb 0.36 -0.21 -0.08 0.00 1.08 0.00 0.00 40.66 41.81 1pth h LEU 336 CO 0.01 0.62 0.58 0.40 -1.08 0.00 0.00 178.44 178.96 1pth h ILE 337 N 1.01 0.92 0.03 1.22 2.04 -1.23 0.48 117.51 121.97 1pth h ILE 337 Ca 0.29 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1pth h ILE 337 Cb -0.09 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 35.89 1pth h ILE 337 CO -0.07 0.17 -0.01 1.23 0.00 0.00 0.00 178.15 179.46 1pth h GLY 338 N 0.93 -0.04 0.53 5.37 0.00 -0.28 -1.36 103.07 108.22 1pth h GLY 338 Ca 0.47 0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.82 1pth h GLY 338 CO -0.26 -0.02 -0.33 0.83 0.00 0.00 0.00 176.54 176.76 1pth h GLU 339 N -0.12 -0.60 -0.62 4.80 5.08 0.89 -1.93 114.58 122.08 1pth h GLU 339 Ca -0.00 0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.52 1pth h GLU 339 Cb 0.11 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 29.38 1pth h GLU 339 CO 0.01 -0.40 -0.16 1.15 -1.00 0.00 0.00 179.01 178.61 1pth h THR 340 N -0.62 0.38 0.00 1.13 2.02 0.02 0.30 112.91 116.13 1pth h THR 340 Ca 0.01 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1pth h THR 340 Cb 0.61 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1pth h THR 340 CO -0.13 0.00 -0.25 0.40 0.37 0.00 0.00 175.52 175.91 1pth h ILE 341 N -0.01 1.15 0.12 3.11 2.04 -0.83 0.29 117.51 123.38 1pth h ILE 341 Ca 0.30 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1pth h ILE 341 Cb 0.46 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1pth h ILE 341 CO -0.64 0.24 -0.06 0.50 0.00 0.00 0.00 178.15 178.20 1pth h LYS 342 N 0.00 -0.15 -0.84 2.37 3.64 -0.22 -2.57 116.57 118.81 1pth h LYS 342 Ca -0.00 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1pth h LYS 342 Cb 0.44 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.23 1pth h LYS 342 CO 0.03 0.34 0.51 0.82 -2.27 0.00 0.00 179.45 178.87 1pth h ILE 343 N -0.81 1.00 -0.77 2.00 2.04 -1.14 -0.61 117.51 119.21 1pth h ILE 343 Ca -0.02 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.56 1pth h ILE 343 Cb 0.56 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 1pth h ILE 343 CO 0.03 0.16 0.50 0.58 0.00 0.00 0.00 178.15 179.42 1pth h VAL 344 N 0.90 1.15 0.00 1.67 2.07 -0.94 -1.28 116.25 119.82 1pth h VAL 344 Ca 0.38 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1pth h VAL 344 Cb 0.23 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1pth h VAL 344 CO -0.19 0.18 -0.05 0.40 0.02 0.00 0.00 177.57 177.93 1pth h ILE 345 N 1.00 0.71 0.00 4.57 2.04 -0.96 0.29 117.51 125.16 1pth h ILE 345 Ca 0.30 -1.54 -0.13 0.00 1.00 0.00 0.00 64.86 64.48 1pth h ILE 345 Cb -0.05 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1pth h ILE 345 CO -0.09 0.24 -0.63 -0.33 0.00 0.00 0.00 178.15 177.34 1pth h GLU 346 N -1.00 0.00 0.00 2.37 5.08 -1.24 -3.09 114.58 116.70 1pth h GLU 346 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1pth h GLU 346 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1pth h GLU 346 CO -0.01 0.63 -0.71 0.39 -1.00 0.00 0.00 179.01 178.31 1pth n GLU 347 N -3.60 0.38 0.00 2.33 1.02 -0.88 -4.42 120.64 115.47 1pth n GLU 347 Ca -0.00 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1pth n GLU 347 Cb 0.67 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 1pth n GLU 347 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1pth n TYR 348 N -4.18 0.00 -0.09 -0.32 4.19 -0.53 -1.57 117.16 114.65 1pth n TYR 348 Ca -0.10 0.00 0.18 0.00 3.31 0.00 0.00 57.90 61.29 1pth n TYR 348 Cb 0.37 -0.49 0.59 0.00 0.49 0.00 0.00 39.34 40.29 1pth n TYR 348 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1pth h VAL 349 N 0.00 0.77 0.80 2.97 2.07 -0.48 -1.36 116.25 121.02 1pth h VAL 349 Ca 0.00 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1pth h VAL 349 Cb 0.00 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1pth h VAL 349 CO 0.00 0.04 -0.48 -0.61 0.02 0.00 0.00 177.57 176.54 1pth h GLN 350 N 0.23 -1.15 -0.19 1.57 5.75 -1.42 0.28 115.11 120.19 1pth h GLN 350 Ca 0.32 0.08 0.05 0.00 -0.15 0.00 0.00 58.65 58.95 1pth h GLN 350 Cb 0.92 0.26 -0.07 0.00 1.07 0.00 0.00 27.48 29.66 1pth h GLN 350 CO -0.07 -0.76 -0.37 0.37 -2.65 0.00 0.00 178.83 175.35 1pth h GLN 351 N -1.19 -0.40 -0.40 1.69 5.75 -0.32 0.16 115.11 120.41 1pth h GLN 351 Ca -0.11 0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.50 1pth h GLN 351 Cb 0.95 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.57 1pth h GLN 351 CO 0.12 -0.26 0.28 1.25 -2.65 0.00 0.00 178.83 177.56 1pth h LEU 352 N -0.41 0.19 0.00 -2.39 7.12 -1.26 -2.75 115.31 115.80 1pth h LEU 352 Ca 0.10 0.00 -0.24 0.00 0.13 0.00 0.00 57.88 57.87 1pth h LEU 352 Cb 0.58 -0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.63 1pth h LEU 352 CO -0.41 0.12 -1.56 0.77 -0.13 0.00 0.00 178.44 177.22 1pth h SER 353 N 0.21 0.00 -0.17 1.25 4.64 0.75 -3.47 113.55 116.76 1pth h SER 353 Ca 0.18 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.43 1pth h SER 353 Cb 0.46 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 1pth h SER 353 CO -0.03 0.85 -0.07 0.61 -0.87 0.00 0.00 176.83 177.32 1pth n GLY 354 N 1.49 0.53 3.74 -0.77 0.00 0.40 -4.96 105.19 105.62 1pth n GLY 354 Ca -0.13 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 1pth n GLY 354 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pth s TYR 355 N -1.70 2.29 -0.29 1.61 1.51 -1.26 -4.71 117.35 114.81 1pth s TYR 355 Ca 0.00 1.58 0.22 0.00 -1.01 0.00 0.00 57.07 57.86 1pth s TYR 355 Cb 0.00 -3.35 -0.16 0.00 -0.11 0.00 0.00 41.96 38.34 1pth s TYR 355 CO 0.00 -2.22 0.78 1.19 -1.11 0.00 0.00 175.55 174.19 1pth n PHE 356 N -2.55 0.30 -2.42 2.71 3.72 0.80 -4.84 117.46 115.18 1pth n PHE 356 Ca 0.12 0.09 -0.41 0.00 -0.05 0.00 0.00 57.45 57.20 1pth n PHE 356 Cb 0.51 -0.56 -0.04 0.00 -0.94 0.00 0.00 39.48 38.45 1pth n PHE 356 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1pth s LEU 357 N -4.48 4.48 -0.53 4.37 2.96 -1.26 -4.74 118.68 119.47 1pth s LEU 357 Ca -0.02 2.22 -0.24 0.00 -0.22 0.00 0.00 54.13 55.87 1pth s LEU 357 Cb 0.13 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 43.25 1pth s LEU 357 CO 0.85 -0.30 0.89 -1.58 -1.32 0.00 0.00 176.35 174.89 1pth s GLN 358 N -0.53 3.33 0.71 1.98 0.74 -1.26 -5.02 119.66 119.61 1pth s GLN 358 Ca 0.50 -0.29 -0.16 0.00 0.05 0.00 0.00 55.36 55.46 1pth s GLN 358 Cb -0.32 -4.04 0.02 0.00 1.10 0.00 0.00 33.01 29.77 1pth s GLN 358 CO 0.37 -1.40 1.11 1.28 -0.55 0.00 0.00 175.29 176.11 1pth n LEU 359 N 7.22 4.46 -3.86 3.68 4.77 -1.26 -4.98 117.00 127.03 1pth n LEU 359 Ca 0.01 0.70 -0.12 0.00 -0.03 0.00 0.00 56.01 56.57 1pth n LEU 359 Cb 0.47 -1.47 -0.14 0.00 -2.33 0.00 0.00 43.42 39.95 1pth n LEU 359 CO 0.62 -1.65 -0.33 -0.75 -1.33 0.00 0.00 177.39 173.94 1pth s LYS 360 N -3.49 0.03 -0.45 3.23 2.20 -1.26 -4.69 119.74 115.31 1pth s LYS 360 Ca 0.76 0.04 -0.14 0.00 -0.36 0.00 0.00 55.97 56.27 1pth s LYS 360 Cb -0.35 0.00 0.06 0.00 -1.51 0.00 0.00 37.83 36.04 1pth s LYS 360 CO 0.47 -0.01 0.35 0.12 -0.36 0.00 0.00 175.35 175.92 1pth s PHE 361 N 0.05 3.26 -0.39 4.03 5.36 -1.26 -4.96 117.98 124.07 1pth s PHE 361 Ca -0.00 -0.98 0.05 0.00 -0.96 0.00 0.00 56.93 55.03 1pth s PHE 361 Cb -0.01 -3.00 0.16 0.00 -0.34 0.00 0.00 43.02 39.84 1pth s PHE 361 CO -0.00 -0.76 0.45 0.34 -1.46 0.00 0.00 175.22 173.78 1pth s ASP 362 N 2.31 0.42 0.00 6.13 2.15 -1.26 -5.01 116.67 121.41 1pth s ASP 362 Ca 0.04 -1.42 0.00 0.00 0.43 0.00 0.00 52.55 51.60 1pth s ASP 362 Cb -0.23 0.93 0.00 0.00 -0.30 0.00 0.00 42.92 43.32 1pth s ASP 362 CO 0.06 -0.23 0.67 -0.81 -0.17 0.00 0.00 175.17 174.69 1pth n PRO 363 N 4.22 0.00 0.19 4.34 -0.04 -1.26 -0.59 135.00 141.85 1pth n PRO 363 Ca 0.12 0.22 0.10 0.00 -0.04 0.00 0.00 63.50 63.90 1pth n PRO 363 Cb 0.48 -1.62 0.12 0.00 -0.04 0.00 0.00 33.50 32.45 1pth n PRO 363 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1pth h GLU 364 N 0.00 0.00 0.00 0.54 5.08 -1.95 -3.09 114.58 115.16 1pth h GLU 364 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pth h GLU 364 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1pth h GLU 364 CO 0.00 0.11 0.00 1.28 -1.00 0.00 0.00 179.01 179.40 1pth n LEU 365 N -3.08 0.33 -0.00 1.33 4.77 0.24 -0.86 117.00 119.73 1pth n LEU 365 Ca 0.03 0.63 0.08 0.00 -0.03 0.00 0.00 56.01 56.72 1pth n LEU 365 Cb 0.58 -0.64 -0.10 0.00 -2.33 0.00 0.00 43.42 40.93 1pth n LEU 365 CO 0.36 -0.64 -0.19 0.18 -1.33 0.00 0.00 177.39 175.77 1pth n LEU 366 N -1.92 0.63 0.10 2.23 4.77 -1.17 -4.48 117.00 117.17 1pth n LEU 366 Ca 0.00 -0.39 0.06 0.00 -0.03 0.00 0.00 56.01 55.65 1pth n LEU 366 Cb 0.08 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.48 1pth n LEU 366 CO 0.09 0.16 0.70 0.49 -1.33 0.00 0.00 177.39 177.49 1pth n PHE 367 N -1.55 0.39 -0.06 -1.77 3.72 -0.04 -0.66 117.46 117.48 1pth n PHE 367 Ca 0.02 0.20 -0.09 0.00 -0.05 0.00 0.00 57.45 57.53 1pth n PHE 367 Cb 0.31 -0.75 -0.15 0.00 -0.94 0.00 0.00 39.48 37.95 1pth n PHE 367 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pth n GLY 368 N -1.34 -0.99 3.77 1.37 0.00 -1.26 -4.99 105.19 101.74 1pth n GLY 368 Ca -0.01 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 1pth n GLY 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pth s ALA 369 N -2.55 1.61 -0.64 4.61 0.00 0.16 -4.99 121.76 119.96 1pth s ALA 369 Ca -0.07 -0.50 -0.14 0.00 0.00 0.00 0.00 51.96 51.25 1pth s ALA 369 Cb 0.07 -3.05 0.16 0.00 0.00 0.00 0.00 23.12 20.31 1pth s ALA 369 CO 0.83 -2.40 0.57 -0.65 0.00 0.00 0.00 175.76 174.11 1pth s GLN 370 N -5.22 3.12 0.16 0.00 -0.21 -1.26 -5.02 119.66 111.23 1pth s GLN 370 Ca 0.64 -2.04 0.10 0.00 0.02 0.00 0.00 55.36 54.08 1pth s GLN 370 Cb -0.15 -4.27 -0.04 0.00 1.00 0.00 0.00 33.01 29.55 1pth s GLN 370 CO 0.54 -1.29 -0.23 0.12 -2.12 0.00 0.00 175.29 172.32 1pth s PHE 371 N 0.95 2.08 -0.22 0.91 5.36 -1.26 -5.12 117.98 120.68 1pth s PHE 371 Ca 0.10 -0.40 -0.03 0.00 -0.96 0.00 0.00 56.93 55.63 1pth s PHE 371 Cb -0.22 -1.07 -0.00 0.00 -0.34 0.00 0.00 43.02 41.39 1pth s PHE 371 CO -0.02 0.37 -0.06 -0.65 -1.46 0.00 0.00 175.22 173.40 1pth s GLN 372 N -2.44 3.28 -1.43 10.12 -1.52 -1.26 -5.02 119.66 121.39 1pth s GLN 372 Ca 0.15 -0.68 -0.13 0.00 -1.95 0.00 0.00 55.36 52.75 1pth s GLN 372 Cb -0.08 -2.98 0.06 0.00 -0.22 0.00 0.00 33.01 29.79 1pth s GLN 372 CO 0.07 -0.22 2.20 0.66 -0.25 0.00 0.00 175.29 177.75 1pth n TYR 373 N 4.77 3.37 -3.65 0.91 4.02 -1.26 -4.69 117.16 120.63 1pth n TYR 373 Ca -0.18 -2.95 -0.15 0.00 -0.01 0.00 0.00 57.90 54.61 1pth n TYR 373 Cb 0.50 -2.44 -0.07 0.00 -0.02 0.00 0.00 39.34 37.31 1pth n TYR 373 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1pth s ARG 374 N 2.61 0.84 -0.09 -0.72 3.52 -1.10 -4.31 118.95 119.70 1pth s ARG 374 Ca 0.47 -0.00 -0.09 0.00 -0.13 0.00 0.00 55.73 55.98 1pth s ARG 374 Cb 0.13 0.39 0.02 0.00 -1.56 0.00 0.00 34.95 33.93 1pth s ARG 374 CO -0.07 -0.25 0.25 1.21 -0.81 0.00 0.00 175.30 175.62 1pth s ASN 375 N -1.28 -0.24 -0.06 -2.12 3.84 -1.21 -4.73 114.94 109.12 1pth s ASN 375 Ca -0.12 0.45 -0.01 0.00 0.21 0.00 0.00 52.86 53.39 1pth s ASN 375 Cb -0.03 0.49 0.03 0.00 -0.55 0.00 0.00 41.25 41.18 1pth s ASN 375 CO 0.07 -0.12 -0.01 -0.60 -2.79 0.00 0.00 177.10 173.65 1pth s ARG 376 N -0.00 0.63 -0.00 0.43 6.06 -1.26 -4.74 118.95 120.06 1pth s ARG 376 Ca -0.01 0.06 -0.30 0.00 -2.50 0.00 0.00 55.73 52.98 1pth s ARG 376 Cb -0.02 -0.90 -0.09 0.00 0.06 0.00 0.00 34.95 33.99 1pth s ARG 376 CO 0.01 -0.24 1.99 -0.89 -2.50 0.00 0.00 175.30 173.66 1pth n ILE 377 N 4.84 0.72 -2.87 4.11 2.08 -1.26 -4.77 119.36 122.21 1pth n ILE 377 Ca -0.12 -0.16 -0.41 0.00 0.56 0.00 0.00 62.75 62.62 1pth n ILE 377 Cb 0.50 -2.28 -0.04 0.00 -0.75 0.00 0.00 39.64 37.07 1pth n ILE 377 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1pth s ALA 378 N 4.73 3.28 0.34 -1.39 0.00 -1.26 -1.85 121.76 125.62 1pth s ALA 378 Ca 0.91 0.39 0.05 0.00 0.00 0.00 0.00 51.96 53.30 1pth s ALA 378 Cb -0.46 -3.14 0.70 0.00 0.00 0.00 0.00 23.12 20.21 1pth s ALA 378 CO 0.43 -0.06 1.93 0.00 0.00 0.00 0.00 175.76 178.05 1pth h MET 379 N 6.15 0.80 -0.74 0.00 -0.00 -0.43 0.05 114.93 120.76 1pth h MET 379 Ca -0.42 -0.05 -0.05 0.00 -0.00 0.00 0.00 59.70 59.18 1pth h MET 379 Cb 1.21 -0.18 -0.03 0.00 -0.00 0.00 0.00 31.60 32.60 1pth h MET 379 CO 0.73 0.53 0.27 0.93 -0.00 0.00 0.00 176.91 179.36 1pth h GLU 380 N 0.82 1.12 0.00 -0.10 3.07 -1.93 -1.39 114.58 116.17 1pth h GLU 380 Ca 0.36 -0.22 -0.04 0.00 -0.50 0.00 0.00 59.36 58.96 1pth h GLU 380 Cb 0.32 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1pth h GLU 380 CO -0.13 0.93 -0.18 0.35 -1.40 0.00 0.00 179.01 178.57 1pth h PHE 381 N 1.09 0.00 -0.03 4.33 3.57 -1.39 -2.02 116.94 122.48 1pth h PHE 381 Ca 0.24 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.69 1pth h PHE 381 Cb 0.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1pth h PHE 381 CO 0.02 0.18 -0.18 -0.97 -2.23 0.00 0.00 178.31 175.13 1pth h ASN 382 N 0.00 0.21 0.16 0.41 -0.73 -0.34 -2.85 115.58 112.43 1pth h ASN 382 Ca -0.00 -0.68 0.00 0.00 1.87 0.00 0.00 56.30 57.49 1pth h ASN 382 Cb 0.56 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.07 1pth h ASN 382 CO 0.02 0.86 -0.31 1.56 -0.37 0.00 0.00 177.43 179.19 1pth h GLN 383 N -0.42 -0.48 -1.31 6.67 1.08 -1.23 -2.43 115.11 116.98 1pth h GLN 383 Ca -0.01 0.03 0.45 0.00 -1.45 0.00 0.00 58.65 57.67 1pth h GLN 383 Cb 0.86 0.11 -0.14 0.00 -0.05 0.00 0.00 27.48 28.26 1pth h GLN 383 CO 0.04 -0.32 0.83 1.25 -0.95 0.00 0.00 178.83 179.67 1pth h LEU 384 N -0.50 0.24 -1.71 1.46 6.46 -1.47 0.30 115.31 120.09 1pth h LEU 384 Ca -0.02 0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1pth h LEU 384 Cb 0.47 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 1pth h LEU 384 CO -0.12 -0.24 0.00 0.00 -0.62 0.00 0.00 178.44 177.46 1pth n TYR 385 N -4.78 0.59 -2.46 1.25 4.19 -0.92 -4.54 117.16 110.50 1pth n TYR 385 Ca 0.39 -0.21 -0.42 0.00 3.31 0.00 0.00 57.90 60.97 1pth n TYR 385 Cb 1.47 -0.21 0.01 0.00 0.49 0.00 0.00 39.34 41.09 1pth n TYR 385 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 1pth n HIS 386 N 0.18 2.74 -0.69 2.98 8.25 0.11 -4.83 115.22 123.96 1pth n HIS 386 Ca 0.08 -2.73 -0.07 0.00 -0.26 0.00 0.00 57.72 54.74 1pth n HIS 386 Cb 0.51 -1.78 -0.00 0.00 1.12 0.00 0.00 29.99 29.84 1pth n HIS 386 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1pth n TRP 387 N 3.13 0.50 0.12 4.41 8.01 -1.26 -4.66 117.44 127.69 1pth n TRP 387 Ca 0.38 -1.35 0.18 0.00 -1.31 0.00 0.00 57.50 55.40 1pth n TRP 387 Cb 0.35 -0.75 0.74 0.00 -2.01 0.00 0.00 31.31 29.64 1pth n TRP 387 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1pth h HIS 388 N 1.36 0.00 0.00 -5.99 3.86 -1.97 -1.24 115.15 111.18 1pth h HIS 388 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1pth h HIS 388 Cb 1.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.48 1pth h HIS 388 CO 0.56 0.00 0.00 -0.35 0.86 0.00 0.00 177.93 179.00 1pth n PRO 389 N -4.11 0.00 -0.17 2.45 -0.04 -1.26 -1.88 135.00 130.00 1pth n PRO 389 Ca 0.05 0.44 -0.10 0.00 -0.04 0.00 0.00 63.50 63.84 1pth n PRO 389 Cb 0.44 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1pth n PRO 389 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1pth h LEU 390 N 0.00 0.89 -9.31 1.53 3.38 -1.40 -3.27 115.31 107.13 1pth h LEU 390 Ca 0.00 -0.34 -0.65 0.00 0.09 0.00 0.00 57.88 56.98 1pth h LEU 390 Cb 0.03 -0.24 0.04 0.00 0.09 0.00 0.00 40.66 40.57 1pth h LEU 390 CO 0.00 1.02 0.80 0.23 0.09 0.00 0.00 178.44 180.58 1pth n MET 391 N -4.27 1.67 -0.88 1.13 2.81 -0.79 -0.63 117.12 116.16 1pth n MET 391 Ca 0.00 0.61 -0.31 0.00 -1.81 0.00 0.00 57.70 56.20 1pth n MET 391 Cb 0.36 -2.34 0.27 0.00 -0.71 0.00 0.00 33.22 30.79 1pth n MET 391 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1pth s PRO 392 N 2.14 -2.05 0.04 0.03 0.04 -1.26 -4.57 135.00 129.38 1pth s PRO 392 Ca 0.88 -0.16 0.02 0.00 0.04 0.00 0.00 61.00 61.79 1pth s PRO 392 Cb -0.84 -1.51 -0.25 0.00 0.04 0.00 0.00 34.50 31.94 1pth s PRO 392 CO 0.50 -4.24 0.98 -0.44 0.04 0.00 0.00 177.00 173.84 1pth h ASP 393 N -2.95 0.21 -4.82 6.66 3.32 -1.94 -3.47 116.42 113.43 1pth h ASP 393 Ca -0.42 -0.28 -0.09 0.00 0.02 0.00 0.00 57.03 56.26 1pth h ASP 393 Cb 1.30 -0.07 -0.20 0.00 0.22 0.00 0.00 39.33 40.58 1pth h ASP 393 CO 0.27 1.23 -0.09 -0.94 -1.72 0.00 0.00 179.24 177.99 1pth s SER 394 N -6.77 -0.41 -0.49 6.45 1.04 -1.26 -4.71 113.70 107.55 1pth s SER 394 Ca -0.05 0.45 -0.17 0.00 0.48 0.00 0.00 55.95 56.66 1pth s SER 394 Cb 0.08 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.77 1pth s SER 394 CO 0.84 -0.46 0.50 -0.36 0.98 0.00 0.00 173.24 174.75 1pth s PHE 395 N -1.02 3.15 -0.38 5.02 0.40 0.14 -4.90 117.98 120.40 1pth s PHE 395 Ca -0.10 -0.77 -0.22 0.00 -0.60 0.00 0.00 56.93 55.23 1pth s PHE 395 Cb -0.03 -3.36 0.01 0.00 0.51 0.00 0.00 43.02 40.15 1pth s PHE 395 CO 0.06 -0.92 0.74 0.50 0.70 0.00 0.00 175.22 176.30 1pth s ARG 396 N 2.09 3.67 -0.90 0.44 3.52 -1.26 0.13 118.95 126.63 1pth s ARG 396 Ca 0.09 0.17 -0.01 0.00 -0.13 0.00 0.00 55.73 55.85 1pth s ARG 396 Cb -0.22 -3.83 0.27 0.00 -1.56 0.00 0.00 34.95 29.61 1pth s ARG 396 CO 0.09 -0.86 1.09 0.28 -0.81 0.00 0.00 175.30 175.09 1pth n VAL 397 N 5.79 3.89 0.00 7.11 0.31 1.00 -4.77 118.33 131.66 1pth n VAL 397 Ca 0.02 -5.52 0.00 0.00 -0.01 0.00 0.00 64.34 58.82 1pth n VAL 397 Cb 0.48 -2.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 1pth n VAL 397 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pth n GLY 398 N 1.41 0.55 0.20 2.92 0.00 -1.26 -3.26 105.19 105.75 1pth n GLY 398 Ca 0.26 -0.83 0.06 0.00 0.00 0.00 0.00 46.02 45.51 1pth n GLY 398 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pth h PRO 399 N 0.00 0.00 -6.49 1.61 0.13 -2.02 -3.43 132.00 121.80 1pth h PRO 399 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 1pth h PRO 399 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1pth h PRO 399 CO 0.00 0.34 0.51 -0.65 -0.23 0.00 0.00 178.00 177.96 1pth s GLN 400 N -3.72 4.48 -0.28 0.86 -1.52 -1.20 -5.03 119.66 113.26 1pth s GLN 400 Ca -0.00 1.68 0.02 0.00 -1.95 0.00 0.00 55.36 55.11 1pth s GLN 400 Cb 0.11 -3.36 0.08 0.00 -0.22 0.00 0.00 33.01 29.62 1pth s GLN 400 CO 0.68 -0.16 -0.02 0.34 -0.25 0.00 0.00 175.29 175.87 1pth s ASP 401 N 0.89 4.27 0.31 5.90 -1.08 -1.26 -0.00 116.67 125.69 1pth s ASP 401 Ca 0.56 -1.55 -0.08 0.00 -0.52 0.00 0.00 52.55 50.96 1pth s ASP 401 Cb -0.28 -1.36 -0.06 0.00 -1.46 0.00 0.00 42.92 39.76 1pth s ASP 401 CO 0.30 -0.28 0.62 -0.31 0.52 0.00 0.00 175.17 176.02 1pth s TYR 402 N 1.21 3.45 0.49 -5.34 1.51 0.12 -4.89 117.35 113.91 1pth s TYR 402 Ca -0.00 0.85 0.02 0.00 -1.01 0.00 0.00 57.07 56.93 1pth s TYR 402 Cb -0.19 -2.27 0.02 0.00 -0.11 0.00 0.00 41.96 39.41 1pth s TYR 402 CO -0.08 0.12 0.70 -1.54 -1.11 0.00 0.00 175.55 173.64 1pth s SER 403 N -2.88 5.51 0.39 2.29 1.04 -1.26 0.28 113.70 119.06 1pth s SER 403 Ca 0.47 -0.01 0.06 0.00 0.48 0.00 0.00 55.95 56.96 1pth s SER 403 Cb -0.11 -1.03 0.77 0.00 0.10 0.00 0.00 66.02 65.76 1pth s SER 403 CO 0.27 -0.94 2.01 1.88 0.98 0.00 0.00 173.24 177.44 1pth h TYR 404 N 0.28 0.56 0.00 5.02 -1.99 -1.98 0.32 116.97 119.18 1pth h TYR 404 Ca -0.43 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.30 1pth h TYR 404 Cb 1.28 -0.19 0.00 0.00 2.00 0.00 0.00 36.73 39.83 1pth h TYR 404 CO 0.40 0.40 0.00 0.93 -0.00 0.00 0.00 178.16 179.88 1pth h GLU 405 N 0.59 0.00 0.00 4.88 3.07 -1.99 0.15 114.58 121.28 1pth h GLU 405 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 1pth h GLU 405 Cb 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1pth h GLU 405 CO -0.03 0.00 -1.10 1.04 -1.40 0.00 0.00 179.01 177.52 1pth n GLN 406 N -2.54 1.60 -0.07 2.33 6.02 0.81 -4.71 117.38 120.83 1pth n GLN 406 Ca -0.00 -0.06 -0.04 0.00 -0.01 0.00 0.00 57.00 56.88 1pth n GLN 406 Cb 0.14 -1.18 -0.01 0.00 1.02 0.00 0.00 30.24 30.21 1pth n GLN 406 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1pth h PHE 407 N 0.00 0.00 -0.93 1.08 3.57 0.25 -3.38 116.94 117.52 1pth h PHE 407 Ca 0.00 0.00 0.27 0.00 3.53 0.00 0.00 57.97 61.77 1pth h PHE 407 Cb 0.42 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 1pth h PHE 407 CO 0.00 0.00 0.81 1.28 -2.23 0.00 0.00 178.31 178.17 1pth n LEU 408 N -4.55 0.00 0.00 0.59 4.32 0.43 -1.73 117.00 116.07 1pth n LEU 408 Ca -0.07 0.54 0.00 0.00 -0.02 0.00 0.00 56.01 56.46 1pth n LEU 408 Cb 0.25 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 1pth n LEU 408 CO 0.10 -0.54 0.12 0.49 -1.22 0.00 0.00 177.39 176.34 1pth n PHE 409 N -2.83 0.00 -1.52 -1.77 3.01 -1.26 -4.10 117.46 108.98 1pth n PHE 409 Ca 0.21 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.38 1pth n PHE 409 Cb 1.09 0.03 -0.13 0.00 -0.01 0.00 0.00 39.48 40.47 1pth n PHE 409 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1pth n ASN 410 N 0.00 0.61 -0.14 4.37 2.85 -0.70 -4.80 115.26 117.46 1pth n ASN 410 Ca 0.00 -0.55 0.00 0.00 -0.11 0.00 0.00 54.58 53.92 1pth n ASN 410 Cb 0.41 -1.13 0.00 0.00 1.24 0.00 0.00 39.78 40.30 1pth n ASN 410 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1pth n THR 411 N 7.37 0.00 0.00 -0.44 -2.24 -1.26 -3.59 114.28 114.12 1pth n THR 411 Ca 0.56 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.34 1pth n THR 411 Cb 0.27 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 1pth n THR 411 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1pth n SER 412 N -0.32 2.40 -0.33 3.42 3.41 -1.26 -4.85 113.62 116.09 1pth n SER 412 Ca 0.00 0.00 0.23 0.00 -0.26 0.00 0.00 58.87 58.84 1pth n SER 412 Cb 0.05 0.40 0.45 0.00 -0.26 0.00 0.00 64.21 64.85 1pth n SER 412 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1pth h MET 413 N 0.00 0.30 0.72 4.33 4.05 -1.96 0.37 114.93 122.74 1pth h MET 413 Ca 0.00 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.37 1pth h MET 413 Cb 0.16 -0.07 0.01 0.00 -0.80 0.00 0.00 31.60 30.90 1pth h MET 413 CO 0.00 0.20 -0.35 1.25 0.23 0.00 0.00 176.91 178.24 1pth h LEU 414 N 0.31 -0.82 -0.90 3.39 5.85 -1.89 0.18 115.31 121.43 1pth h LEU 414 Ca 0.71 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.47 1pth h LEU 414 Cb 1.61 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.80 1pth h LEU 414 CO -0.61 -0.45 0.59 0.58 -0.34 0.00 0.00 178.44 178.20 1pth h VAL 415 N -1.22 1.19 0.43 1.05 2.07 -1.66 0.43 116.25 118.53 1pth h VAL 415 Ca -0.10 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1pth h VAL 415 Cb 0.76 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1pth h VAL 415 CO 0.16 0.21 -0.32 0.44 0.02 0.00 0.00 177.57 178.08 1pth h ASP 416 N 1.17 -0.85 0.03 0.57 3.32 -0.28 -3.34 116.42 117.04 1pth h ASP 416 Ca 0.35 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.45 1pth h ASP 416 Cb -0.06 0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1pth h ASP 416 CO -0.10 -0.47 -0.01 1.88 -1.72 0.00 0.00 179.24 178.82 1pth h TYR 417 N -0.73 -0.04 0.00 4.55 0.05 -0.87 -3.51 116.97 116.42 1pth h TYR 417 Ca -0.06 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.72 1pth h TYR 417 Cb 0.60 0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.35 1pth h TYR 417 CO -0.10 0.53 0.00 0.41 -1.05 0.00 0.00 178.16 177.94 1pth n GLY 418 N 0.49 2.47 0.25 3.88 0.00 0.15 -4.54 105.19 107.89 1pth n GLY 418 Ca -0.09 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.10 1pth n GLY 418 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pth h VAL 419 N 0.00 0.00 -0.78 1.61 2.07 -1.94 -2.31 116.25 114.89 1pth h VAL 419 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1pth h VAL 419 Cb 0.00 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.63 1pth h VAL 419 CO 0.00 0.00 -0.28 -0.33 0.02 0.00 0.00 177.57 176.98 1pth h GLU 420 N -0.28 -0.05 0.37 1.57 3.07 -1.90 0.14 114.58 117.50 1pth h GLU 420 Ca 0.02 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 1pth h GLU 420 Cb 0.35 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 1pth h GLU 420 CO -0.26 -0.03 -0.44 0.00 -1.40 0.00 0.00 179.01 176.88 1pth h ALA 421 N 1.50 -1.07 -0.52 3.43 0.00 -1.72 -1.06 119.26 119.83 1pth h ALA 421 Ca 0.34 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1pth h ALA 421 Cb 0.58 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1pth h ALA 421 CO -0.82 -1.11 0.34 -0.07 0.00 0.00 0.00 179.25 177.59 1pth h LEU 422 N -0.83 0.51 0.16 0.00 3.38 -0.95 -1.50 115.31 116.08 1pth h LEU 422 Ca -0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1pth h LEU 422 Cb 0.74 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1pth h LEU 422 CO -0.09 0.36 -0.08 0.58 0.09 0.00 0.00 178.44 179.30 1pth h VAL 423 N 0.60 0.88 -0.61 1.22 2.07 -0.57 -0.31 116.25 119.53 1pth h VAL 423 Ca 0.21 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.67 1pth h VAL 423 Cb 0.08 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 1pth h VAL 423 CO -0.05 0.04 0.24 -0.78 0.02 0.00 0.00 177.57 177.03 1pth h ASP 424 N -0.28 0.25 0.82 0.57 1.82 -0.40 0.40 116.42 119.60 1pth h ASP 424 Ca -0.02 0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.65 1pth h ASP 424 Cb 0.22 0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.27 1pth h ASP 424 CO 0.04 0.15 -0.48 0.00 -1.61 0.00 0.00 179.24 177.34 1pth h ALA 425 N 1.41 -1.25 -0.33 -0.78 0.00 -0.95 -1.92 119.26 115.44 1pth h ALA 425 Ca 0.30 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1pth h ALA 425 Cb 0.36 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1pth h ALA 425 CO -0.29 -1.22 0.23 0.74 0.00 0.00 0.00 179.25 178.71 1pth h PHE 426 N -1.21 0.15 0.00 0.00 0.04 -0.69 0.16 116.94 115.38 1pth h PHE 426 Ca -0.11 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 1pth h PHE 426 Cb 0.96 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 39.06 1pth h PHE 426 CO -0.08 0.08 -0.04 0.77 -0.60 0.00 0.00 178.31 178.43 1pth h SER 427 N 0.15 0.00 0.07 2.17 0.02 -0.56 -0.57 113.55 114.83 1pth h SER 427 Ca 0.15 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.73 1pth h SER 427 Cb 0.41 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.89 1pth h SER 427 CO -0.02 0.04 -2.30 0.54 -1.14 0.00 0.00 176.83 173.95 1pth n ARG 428 N -3.15 0.68 -2.65 3.45 1.74 0.48 -4.11 116.66 113.10 1pth n ARG 428 Ca 0.01 0.11 -0.41 0.00 -0.77 0.00 0.00 57.85 56.80 1pth n ARG 428 Cb 0.36 -1.57 -0.05 0.00 -1.02 0.00 0.00 32.46 30.18 1pth n ARG 428 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1pth s GLN 429 N -2.52 4.72 0.40 5.56 0.74 -0.70 -4.70 119.66 123.16 1pth s GLN 429 Ca -0.20 1.58 -0.15 0.00 0.05 0.00 0.00 55.36 56.65 1pth s GLN 429 Cb 0.07 -3.29 -0.08 0.00 1.10 0.00 0.00 33.01 30.81 1pth s GLN 429 CO 0.74 0.28 0.83 -2.14 -0.55 0.00 0.00 175.29 174.45 1pth s PRO 430 N -0.69 3.95 0.20 1.67 0.02 -1.26 -0.65 135.00 138.23 1pth s PRO 430 Ca 0.45 0.73 0.05 0.00 0.02 0.00 0.00 61.00 62.25 1pth s PRO 430 Cb -0.27 -2.32 -0.04 0.00 0.02 0.00 0.00 34.50 31.89 1pth s PRO 430 CO 0.33 -0.02 0.21 0.00 -0.33 0.00 0.00 177.00 177.19 1pth s ALA 431 N -2.27 3.69 0.79 -1.55 0.00 0.08 -4.69 121.76 117.81 1pth s ALA 431 Ca 0.55 -1.24 -0.11 0.00 0.00 0.00 0.00 51.96 51.16 1pth s ALA 431 Cb -0.10 -1.47 0.07 0.00 0.00 0.00 0.00 23.12 21.62 1pth s ALA 431 CO 0.24 0.40 1.09 0.20 0.00 0.00 0.00 175.76 177.70 1pth s GLY 432 N -3.45 1.63 0.35 0.00 0.00 0.20 -0.98 107.32 105.07 1pth s GLY 432 Ca 0.33 -0.15 -0.28 0.00 0.00 0.00 0.00 44.72 44.61 1pth s GLY 432 CO 0.25 0.26 1.35 -1.60 0.00 0.00 0.00 173.10 173.37 1pth s ARG 433 N -5.12 4.25 -0.12 2.90 3.52 -0.17 -3.93 118.95 120.27 1pth s ARG 433 Ca 0.61 2.30 -0.07 0.00 -0.13 0.00 0.00 55.73 58.44 1pth s ARG 433 Cb -0.15 -3.01 -0.04 0.00 -1.56 0.00 0.00 34.95 30.19 1pth s ARG 433 CO 0.54 -0.31 0.02 0.82 -0.81 0.00 0.00 175.30 175.57 1pth h ILE 434 N 2.96 0.22 -3.61 4.11 2.04 -1.36 -3.42 117.51 118.44 1pth h ILE 434 Ca -0.49 -1.19 -0.46 0.00 1.00 0.00 0.00 64.86 63.72 1pth h ILE 434 Cb 1.23 0.44 0.12 0.00 -0.74 0.00 0.00 36.82 37.86 1pth h ILE 434 CO 0.65 0.07 0.30 -0.83 0.00 0.00 0.00 178.15 178.34 1pth s GLY 435 N -3.91 1.73 0.00 5.37 0.00 0.16 -4.61 107.32 106.06 1pth s GLY 435 Ca -0.08 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.45 1pth s GLY 435 CO 0.17 -0.58 0.00 0.61 0.00 0.00 0.00 173.10 173.29 1pth n GLY 436 N -3.29 3.45 0.00 0.20 0.00 -1.02 -4.76 105.19 99.77 1pth n GLY 436 Ca 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1pth n GLY 436 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pth n GLY 437 N 0.00 2.73 4.27 -0.02 0.00 -1.22 -4.87 105.19 106.09 1pth n GLY 437 Ca 0.00 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 1pth n GLY 437 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pth n ARG 438 N 0.59 -1.77 -0.37 1.61 1.74 0.14 -4.85 116.66 113.75 1pth n ARG 438 Ca 0.00 0.22 0.05 0.00 -0.77 0.00 0.00 57.85 57.34 1pth n ARG 438 Cb 0.00 -4.27 0.07 0.00 -1.02 0.00 0.00 32.46 27.24 1pth n ARG 438 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1pth n ASN 439 N -2.78 1.15 -4.56 0.55 5.15 -0.94 -3.08 115.26 110.75 1pth n ASN 439 Ca -0.17 -2.56 -0.40 0.00 -0.60 0.00 0.00 54.58 50.85 1pth n ASN 439 Cb 0.61 -0.32 -0.10 0.00 -0.53 0.00 0.00 39.78 39.44 1pth n ASN 439 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1pth s ILE 440 N -1.40 5.21 0.23 -1.44 1.01 -0.17 -4.57 121.20 120.07 1pth s ILE 440 Ca 0.17 0.11 -0.32 0.00 0.00 0.00 0.00 60.65 60.62 1pth s ILE 440 Cb 0.16 -3.73 -0.13 0.00 0.01 0.00 0.00 42.46 38.77 1pth s ILE 440 CO 0.00 0.02 1.58 -0.67 0.00 0.00 0.00 174.94 175.88 1pth n ASP 441 N 5.27 3.43 -0.17 3.58 -0.08 -1.26 -1.12 116.55 126.20 1pth n ASP 441 Ca -0.10 1.11 0.28 0.00 -1.51 0.00 0.00 54.79 54.57 1pth n ASP 441 Cb 0.50 -1.51 0.72 0.00 2.34 0.00 0.00 41.12 43.18 1pth n ASP 441 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 1pth h HIS 442 N 5.43 0.00 -0.57 -0.67 2.07 -1.96 -1.00 115.15 118.45 1pth h HIS 442 Ca -0.45 0.00 0.07 0.00 -2.85 0.00 0.00 60.37 57.14 1pth h HIS 442 Cb 1.24 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.18 1pth h HIS 442 CO 0.60 0.00 0.38 0.45 -3.07 0.00 0.00 177.93 176.29 1pth h HIS 443 N 0.00 0.51 -0.16 6.12 3.86 -1.99 -2.63 115.15 120.86 1pth h HIS 443 Ca 0.42 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.64 1pth h HIS 443 Cb 1.70 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 30.01 1pth h HIS 443 CO 0.00 0.27 0.00 0.44 0.86 0.00 0.00 177.93 179.50 1pth n ILE 444 N -4.47 1.37 0.09 2.45 -5.35 -0.41 -4.67 119.36 108.36 1pth n ILE 444 Ca 0.08 -1.36 0.14 0.00 -0.27 0.00 0.00 62.75 61.34 1pth n ILE 444 Cb 0.27 0.25 0.64 0.00 -1.74 0.00 0.00 39.64 39.06 1pth n ILE 444 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1pth h LEU 445 N 0.95 0.05 -1.01 7.28 5.85 -1.14 -1.49 115.31 125.81 1pth h LEU 445 Ca 0.00 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1pth h LEU 445 Cb 0.82 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.76 1pth h LEU 445 CO 0.04 0.03 0.64 1.12 -0.34 0.00 0.00 178.44 179.93 1pth h HIS 446 N 0.06 1.17 -0.38 1.25 2.07 -1.83 -2.09 115.15 115.40 1pth h HIS 446 Ca 0.16 0.03 0.08 0.00 -2.85 0.00 0.00 60.37 57.79 1pth h HIS 446 Cb 0.55 -0.38 -0.09 0.00 2.57 0.00 0.00 27.41 30.06 1pth h HIS 446 CO -0.00 0.53 -0.32 0.28 -3.07 0.00 0.00 177.93 175.35 1pth h VAL 447 N 1.08 0.24 -0.53 6.12 2.07 -1.64 0.31 116.25 123.90 1pth h VAL 447 Ca 0.47 0.00 0.05 0.00 0.82 0.00 0.00 66.70 68.04 1pth h VAL 447 Cb 0.35 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1pth h VAL 447 CO -0.23 0.00 0.35 0.00 0.02 0.00 0.00 177.57 177.72 1pth h ALA 448 N 0.76 1.82 -0.28 1.67 0.00 -1.52 0.69 119.26 122.39 1pth h ALA 448 Ca 0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1pth h ALA 448 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1pth h ALA 448 CO -0.52 0.10 0.07 0.28 0.00 0.00 0.00 179.25 179.18 1pth h VAL 449 N 0.54 1.22 -0.81 0.00 2.07 -0.27 -1.94 116.25 117.05 1pth h VAL 449 Ca 0.22 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1pth h VAL 449 Cb 0.21 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1pth h VAL 449 CO -0.06 0.23 0.40 0.44 0.02 0.00 0.00 177.57 178.60 1pth h ASP 450 N 0.29 1.04 -0.41 0.57 3.32 0.68 -2.21 116.42 119.70 1pth h ASP 450 Ca 0.09 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.06 1pth h ASP 450 Cb 0.29 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1pth h ASP 450 CO 0.00 0.87 0.19 0.58 -1.72 0.00 0.00 179.24 179.16 1pth h VAL 451 N 1.14 0.95 -0.02 -1.35 2.07 -0.51 0.16 116.25 118.70 1pth h VAL 451 Ca 0.28 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.69 1pth h VAL 451 Cb 0.10 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1pth h VAL 451 CO -0.04 0.07 -0.11 0.40 0.02 0.00 0.00 177.57 177.92 1pth h ILE 452 N 0.39 0.73 -0.14 4.57 1.08 -0.94 -1.14 117.51 122.06 1pth h ILE 452 Ca 0.18 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.68 1pth h ILE 452 Cb 0.10 0.73 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 1pth h ILE 452 CO -0.14 0.00 -0.04 0.11 -0.69 0.00 0.00 178.15 177.40 1pth h LYS 453 N -0.17 -0.00 -0.88 2.37 1.57 -0.78 -1.91 116.57 116.77 1pth h LYS 453 Ca 0.05 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.92 1pth h LYS 453 Cb 0.23 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.48 1pth h LYS 453 CO -0.12 -0.00 0.57 1.49 -0.57 0.00 0.00 179.45 180.82 1pth h GLU 454 N -0.00 0.84 -0.02 3.15 4.81 -0.42 -0.99 114.58 121.94 1pth h GLU 454 Ca 0.07 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1pth h GLU 454 Cb 0.11 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1pth h GLU 454 CO -0.15 0.56 -0.12 1.03 -0.73 0.00 0.00 179.01 179.59 1pth h SER 455 N 0.87 -0.37 -0.76 1.04 0.87 -0.41 -1.86 113.55 112.93 1pth h SER 455 Ca 0.40 0.06 0.06 0.00 -1.23 0.00 0.00 61.79 61.09 1pth h SER 455 Cb 0.40 0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.48 1pth h SER 455 CO -0.17 -0.17 0.50 0.03 -0.53 0.00 0.00 176.83 176.49 1pth h ARG 456 N -0.20 0.79 -0.62 2.24 3.08 -0.88 0.96 114.38 119.75 1pth h ARG 456 Ca 0.05 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 1pth h ARG 456 Cb 0.27 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1pth h ARG 456 CO -0.14 0.52 0.16 0.28 -1.07 0.00 0.00 179.97 179.72 1pth h VAL 457 N 0.81 1.24 0.00 2.04 2.07 -1.03 0.23 116.25 121.61 1pth h VAL 457 Ca 0.33 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1pth h VAL 457 Cb 0.25 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1pth h VAL 457 CO -0.11 0.33 0.00 0.18 0.02 0.00 0.00 177.57 177.99 1pth n LEU 458 N -4.26 0.00 -3.95 2.57 4.32 0.22 -4.89 117.00 111.01 1pth n LEU 458 Ca 0.05 0.28 -0.30 0.00 -0.02 0.00 0.00 56.01 56.02 1pth n LEU 458 Cb 0.23 -0.28 0.01 0.00 -1.62 0.00 0.00 43.42 41.76 1pth n LEU 458 CO 0.41 -0.08 0.04 0.54 -1.22 0.00 0.00 177.39 177.08 1pth n ARG 459 N -1.28 -4.87 -1.85 3.23 5.12 0.80 -4.77 116.66 113.04 1pth n ARG 459 Ca 0.10 0.55 -0.41 0.00 -1.93 0.00 0.00 57.85 56.16 1pth n ARG 459 Cb 0.17 -5.31 -0.01 0.00 -1.16 0.00 0.00 32.46 26.14 1pth n ARG 459 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1pth s LEU 460 N -7.19 4.35 1.13 0.55 2.96 -1.10 -1.51 118.68 117.88 1pth s LEU 460 Ca 0.56 2.90 -0.13 0.00 -0.22 0.00 0.00 54.13 57.24 1pth s LEU 460 Cb -0.28 -3.64 0.27 0.00 0.50 0.00 0.00 46.19 43.03 1pth s LEU 460 CO 0.85 -0.85 1.04 -1.10 -1.32 0.00 0.00 176.35 174.98 1pth s GLN 461 N -0.85 -0.66 0.55 1.98 -0.21 -1.26 -4.74 119.66 114.47 1pth s GLN 461 Ca 0.60 0.76 -0.20 0.00 0.02 0.00 0.00 55.36 56.54 1pth s GLN 461 Cb -0.46 -1.59 -0.05 0.00 1.00 0.00 0.00 33.01 31.91 1pth s GLN 461 CO 0.50 -3.53 1.17 -2.14 -2.12 0.00 0.00 175.29 169.17 1pth s PRO 462 N -4.58 3.26 0.18 2.91 0.02 -1.26 -4.34 135.00 131.19 1pth s PRO 462 Ca 0.68 1.72 -0.17 0.00 0.02 0.00 0.00 61.00 63.25 1pth s PRO 462 Cb -0.24 -2.03 0.13 0.00 0.02 0.00 0.00 34.50 32.39 1pth s PRO 462 CO 0.63 -0.95 1.64 0.35 -0.33 0.00 0.00 177.00 178.35 1pth h PHE 463 N 1.19 -0.35 -0.69 6.54 3.57 -1.15 0.91 116.94 126.95 1pth h PHE 463 Ca -0.50 0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.20 1pth h PHE 463 Cb 1.27 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 40.20 1pth h PHE 463 CO 0.50 -0.24 0.47 -0.91 -2.23 0.00 0.00 178.31 175.90 1pth h ASN 464 N -0.05 0.27 -0.08 0.41 4.21 -1.80 0.14 115.58 118.68 1pth h ASN 464 Ca 0.22 0.02 -0.03 0.00 1.21 0.00 0.00 56.30 57.72 1pth h ASN 464 Cb 0.39 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 37.55 1pth h ASN 464 CO -0.50 0.14 -0.06 -0.33 -1.29 0.00 0.00 177.43 175.39 1pth h GLU 465 N 0.29 0.17 -0.43 0.81 4.39 -1.20 -2.33 114.58 116.28 1pth h GLU 465 Ca 0.34 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.95 1pth h GLU 465 Cb 0.91 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 1pth h GLU 465 CO -0.08 0.59 0.28 1.88 -1.16 0.00 0.00 179.01 180.52 1pth h TYR 466 N -0.24 0.55 -0.52 4.33 0.05 -0.80 -0.36 116.97 119.98 1pth h TYR 466 Ca 0.01 0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.87 1pth h TYR 466 Cb 0.55 -0.18 -0.06 0.00 1.01 0.00 0.00 36.73 38.05 1pth h TYR 466 CO 0.08 0.35 0.21 0.00 -1.05 0.00 0.00 178.16 177.74 1pth h ARG 467 N 0.59 0.39 0.45 4.88 2.47 -0.34 -1.44 114.38 121.37 1pth h ARG 467 Ca 0.16 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.83 1pth h ARG 467 Cb -0.06 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.17 1pth h ARG 467 CO -0.03 0.26 -0.21 0.87 0.56 0.00 0.00 179.97 181.41 1pth h LYS 468 N 0.40 -0.58 -1.26 0.04 1.57 -0.66 0.26 116.57 116.34 1pth h LYS 468 Ca 0.24 0.04 0.36 0.00 -1.87 0.00 0.00 60.65 59.43 1pth h LYS 468 Cb 0.24 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.61 1pth h LYS 468 CO -0.23 -0.28 0.88 -0.09 -0.57 0.00 0.00 179.45 179.16 1pth h ARG 469 N -0.89 0.09 -0.81 3.15 1.12 -0.54 0.74 114.38 117.24 1pth h ARG 469 Ca -0.06 -0.01 -0.27 0.00 -1.11 0.00 0.00 59.98 58.53 1pth h ARG 469 Cb 0.57 -0.02 -0.16 0.00 -0.01 0.00 0.00 29.97 30.35 1pth h ARG 469 CO 0.10 0.06 0.34 1.19 -3.11 0.00 0.00 179.97 178.55 1pth n PHE 470 N -4.30 2.56 0.00 2.20 3.72 -0.60 -4.92 117.46 116.12 1pth n PHE 470 Ca 0.29 -1.30 0.00 0.00 -0.05 0.00 0.00 57.45 56.39 1pth n PHE 470 Cb 1.28 -0.73 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 1pth n PHE 470 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pth n GLY 471 N -0.30 1.27 3.95 1.37 0.00 0.26 -4.84 105.19 106.89 1pth n GLY 471 Ca 0.44 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.22 1pth n GLY 471 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pth s MET 472 N -0.59 2.67 -0.07 1.61 -1.94 0.91 -4.95 119.30 116.94 1pth s MET 472 Ca 0.00 -0.41 -0.10 0.00 -1.71 0.00 0.00 55.69 53.47 1pth s MET 472 Cb 0.00 -2.38 -0.05 0.00 2.01 0.00 0.00 34.83 34.41 1pth s MET 472 CO 0.00 -0.73 0.25 0.15 -0.01 0.00 0.00 175.02 174.68 1pth s LYS 473 N -4.88 3.64 0.57 2.03 3.01 -1.26 -3.40 119.74 119.45 1pth s LYS 473 Ca 0.55 0.10 -0.19 0.00 -1.01 0.00 0.00 55.97 55.42 1pth s LYS 473 Cb -0.10 -3.20 -0.05 0.00 -1.01 0.00 0.00 37.83 33.47 1pth s LYS 473 CO 0.41 0.74 1.15 -1.25 0.51 0.00 0.00 175.35 176.91 1pth s PRO 474 N -1.04 3.19 0.44 -1.68 0.04 -1.26 -4.84 135.00 129.84 1pth s PRO 474 Ca 0.19 1.65 -0.24 0.00 0.04 0.00 0.00 61.00 62.63 1pth s PRO 474 Cb -0.14 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 1pth s PRO 474 CO 0.08 -0.99 1.24 0.71 0.04 0.00 0.00 177.00 178.08 1pth s TYR 475 N -1.78 2.82 -2.06 0.56 2.02 -1.26 -4.95 117.35 112.71 1pth s TYR 475 Ca 0.73 1.47 0.19 0.00 -0.37 0.00 0.00 57.07 59.10 1pth s TYR 475 Cb -0.25 -3.54 0.06 0.00 -0.40 0.00 0.00 41.96 37.83 1pth s TYR 475 CO 0.30 -1.86 1.03 0.25 -1.57 0.00 0.00 175.55 173.70 1pth n THR 476 N -0.20 0.00 -3.53 -0.71 -2.24 -1.26 -4.84 114.28 101.50 1pth n THR 476 Ca 0.06 -0.39 -0.09 0.00 -2.27 0.00 0.00 64.05 61.36 1pth n THR 476 Cb 0.46 1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 69.96 1pth n THR 476 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1pth s SER 477 N -1.94 -0.34 0.41 3.42 1.04 -1.26 -4.94 113.70 110.08 1pth s SER 477 Ca 0.19 0.12 0.16 0.00 0.48 0.00 0.00 55.95 56.90 1pth s SER 477 Cb 0.16 0.34 0.87 0.00 0.10 0.00 0.00 66.02 67.49 1pth s SER 477 CO 0.38 -0.50 1.88 -0.26 0.98 0.00 0.00 173.24 175.72 1pth h PHE 478 N 2.17 0.00 0.00 5.02 -1.00 -1.95 -2.01 116.94 119.17 1pth h PHE 478 Ca -0.20 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.54 1pth h PHE 478 Cb 1.21 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.76 1pth h PHE 478 CO 0.27 0.31 -0.21 -0.56 -1.61 0.00 0.00 178.31 176.50 1pth h GLN 479 N 0.00 0.00 0.24 1.51 -0.00 -1.81 -1.62 115.11 113.43 1pth h GLN 479 Ca -0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.65 58.30 1pth h GLN 479 Cb 0.59 0.00 0.03 0.00 -0.00 0.00 0.00 27.48 28.10 1pth h GLN 479 CO 0.04 0.21 -1.55 1.49 -0.00 0.00 0.00 178.83 179.03 1pth h GLU 480 N 0.00 0.52 0.23 0.06 4.81 -1.68 -3.38 114.58 115.14 1pth h GLU 480 Ca -0.00 -0.88 -0.01 0.00 -0.13 0.00 0.00 59.36 58.33 1pth h GLU 480 Cb 0.58 0.33 0.00 0.00 0.63 0.00 0.00 28.75 30.29 1pth h GLU 480 CO 0.03 1.42 -0.11 1.25 -0.73 0.00 0.00 179.01 180.87 1pth h LEU 481 N 0.14 -0.27-10.34 1.64 5.85 -1.03 -3.42 115.31 107.88 1pth h LEU 481 Ca -0.28 0.01 -0.51 0.00 0.84 0.00 0.00 57.88 57.94 1pth h LEU 481 Cb 2.16 0.07 0.09 0.00 0.37 0.00 0.00 40.66 43.36 1pth h LEU 481 CO 0.26 -0.19 0.37 0.42 -0.34 0.00 0.00 178.44 178.96 1pth s THR 482 N -3.67 4.03 -0.88 1.05 -4.23 -0.66 -1.83 115.64 109.45 1pth s THR 482 Ca -0.05 0.66 0.27 0.00 -1.18 0.00 0.00 61.69 61.40 1pth s THR 482 Cb 0.00 -3.41 0.22 0.00 1.34 0.00 0.00 72.50 70.66 1pth s THR 482 CO 0.14 -0.86 1.79 0.61 -0.54 0.00 0.00 174.62 175.76 1pth n GLY 483 N -2.02 -1.55 2.56 3.99 0.00 -1.26 -4.61 105.19 102.30 1pth n GLY 483 Ca 0.07 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 1pth n GLY 483 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pth n GLU 484 N -1.82 0.95 -0.09 1.61 -0.00 -1.26 -4.96 120.64 115.07 1pth n GLU 484 Ca 0.06 -2.33 -0.09 0.00 -0.00 0.00 0.00 57.16 54.80 1pth n GLU 484 Cb 0.38 0.26 -0.14 0.00 -0.00 0.00 0.00 31.44 31.94 1pth n GLU 484 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1pth n LYS 485 N -1.35 1.02 0.00 3.44 4.76 -1.26 -4.33 118.16 120.44 1pth n LYS 485 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1pth n LYS 485 Cb 0.42 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 1pth n LYS 485 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1pth n GLU 486 N -2.71 0.00 0.32 1.97 2.13 -1.26 -2.03 120.64 119.07 1pth n GLU 486 Ca -0.30 0.00 0.21 0.00 0.66 0.00 0.00 57.16 57.73 1pth n GLU 486 Cb 1.07 -0.91 1.09 0.00 0.27 0.00 0.00 31.44 32.96 1pth n GLU 486 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1pth h MET 487 N 0.00 0.00 -0.21 5.31 -0.00 -2.00 0.17 114.93 118.20 1pth h MET 487 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.64 1pth h MET 487 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 1pth h MET 487 CO 0.00 0.01 -0.15 0.00 -0.00 0.00 0.00 176.91 176.77 1pth h ALA 488 N 1.99 1.37 -0.12 -3.00 0.00 -1.75 0.68 119.26 118.43 1pth h ALA 488 Ca -0.00 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 1pth h ALA 488 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1pth h ALA 488 CO 0.00 0.43 -0.65 0.00 0.00 0.00 0.00 179.25 179.03 1pth h ALA 489 N 1.53 0.65 -0.02 0.00 0.00 -0.06 -2.11 119.26 119.26 1pth h ALA 489 Ca 0.06 -0.57 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 1pth h ALA 489 Cb 0.46 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1pth h ALA 489 CO 0.03 0.73 -0.69 1.49 0.00 0.00 0.00 179.25 180.81 1pth h GLU 490 N 0.33 0.50 -0.97 0.00 4.81 -1.08 -2.65 114.58 115.52 1pth h GLU 490 Ca -0.02 -0.51 0.09 0.00 -0.13 0.00 0.00 59.36 58.79 1pth h GLU 490 Cb 1.21 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.66 1pth h GLU 490 CO 0.12 1.15 0.62 -0.07 -0.73 0.00 0.00 179.01 180.10 1pth h LEU 491 N 0.05 0.93 -0.34 1.64 3.38 -0.92 0.27 115.31 120.33 1pth h LEU 491 Ca -0.08 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1pth h LEU 491 Cb 1.38 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 1pth h LEU 491 CO 0.14 0.55 0.19 -0.08 0.09 0.00 0.00 178.44 179.33 1pth h GLU 492 N 1.03 0.39 -0.09 1.13 4.81 -1.26 0.27 114.58 120.85 1pth h GLU 492 Ca 0.45 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.54 1pth h GLU 492 Cb 0.34 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1pth h GLU 492 CO -0.20 0.26 -0.47 1.05 -0.73 0.00 0.00 179.01 178.91 1pth h GLU 493 N 0.40 0.22 0.53 1.92 4.11 -0.77 -0.37 114.58 120.62 1pth h GLU 493 Ca 0.13 -0.12 -0.03 0.00 0.07 0.00 0.00 59.36 59.42 1pth h GLU 493 Cb 0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1pth h GLU 493 CO -0.07 0.65 -0.26 -0.07 0.07 0.00 0.00 179.01 179.34 1pth h LEU 494 N 0.18 -0.61 0.14 3.06 3.38 0.44 -3.37 115.31 118.54 1pth h LEU 494 Ca 0.01 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 1pth h LEU 494 Cb 0.90 0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.83 1pth h LEU 494 CO 0.07 -0.21 -0.84 1.88 0.09 0.00 0.00 178.44 179.44 1pth h TYR 495 N -1.12 0.57 0.00 1.13 0.05 -0.59 -3.42 116.97 113.59 1pth h TYR 495 Ca -0.07 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.29 1pth h TYR 495 Cb 0.60 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.31 1pth h TYR 495 CO 0.01 1.32 0.00 0.41 -1.05 0.00 0.00 178.16 178.85 1pth n GLY 496 N 1.65 3.24 3.61 3.88 0.00 -0.15 -3.09 105.19 114.33 1pth n GLY 496 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 1pth n GLY 496 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pth s ASP 497 N -0.35 -0.79 0.52 1.61 -1.08 -1.26 -4.83 116.67 110.49 1pth s ASP 497 Ca 0.00 1.43 0.24 0.00 -0.52 0.00 0.00 52.55 53.70 1pth s ASP 497 Cb 0.00 1.40 1.44 0.00 -1.46 0.00 0.00 42.92 44.30 1pth s ASP 497 CO 0.00 -0.24 2.12 -0.29 0.52 0.00 0.00 175.17 177.28 1pth h ILE 498 N 4.38 0.73 0.00 4.11 6.09 -1.92 0.46 117.51 131.35 1pth h ILE 498 Ca -0.29 -0.35 0.00 0.00 -1.37 0.00 0.00 64.86 62.85 1pth h ILE 498 Cb 1.18 1.21 0.00 0.00 0.47 0.00 0.00 36.82 39.68 1pth h ILE 498 CO 0.10 0.09 0.00 0.47 -3.07 0.00 0.00 178.15 175.74 1pth n ASP 499 N -3.95 0.03 0.00 2.19 8.00 -1.26 -1.45 116.55 120.11 1pth n ASP 499 Ca -0.02 -1.46 0.00 0.00 0.71 0.00 0.00 54.79 54.01 1pth n ASP 499 Cb 0.18 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1pth n ASP 499 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pth n ALA 500 N -0.48 1.18 -1.97 2.24 0.00 0.16 -4.79 120.51 116.84 1pth n ALA 500 Ca 0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 1pth n ALA 500 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 1pth n ALA 500 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pth s LEU 501 N -0.07 4.36 0.81 0.00 2.96 -0.53 -4.89 118.68 121.32 1pth s LEU 501 Ca 0.00 2.44 -0.11 0.00 -0.22 0.00 0.00 54.13 56.24 1pth s LEU 501 Cb 0.00 -3.56 0.08 0.00 0.50 0.00 0.00 46.19 43.21 1pth s LEU 501 CO 0.00 -0.86 1.09 -1.61 -1.32 0.00 0.00 176.35 173.66 1pth s GLU 502 N 2.50 1.93 0.04 1.98 2.02 -1.26 -0.78 118.70 125.13 1pth s GLU 502 Ca 0.72 1.09 -0.16 0.00 0.02 0.00 0.00 54.97 56.64 1pth s GLU 502 Cb -0.39 -1.87 -0.07 0.00 0.10 0.00 0.00 34.13 31.91 1pth s GLU 502 CO 0.31 -1.85 1.25 0.35 0.02 0.00 0.00 175.26 175.35 1pth h PHE 503 N -1.28 -0.68 0.02 1.61 3.57 -1.88 -1.05 116.94 117.25 1pth h PHE 503 Ca -0.45 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.06 1pth h PHE 503 Cb 1.25 0.28 0.00 0.00 2.79 0.00 0.00 35.95 40.27 1pth h PHE 503 CO 0.53 -0.28 -0.01 -0.92 -2.23 0.00 0.00 178.31 175.40 1pth h TYR 504 N -0.38 -0.03 -0.90 0.41 3.20 -1.96 -1.69 116.97 115.62 1pth h TYR 504 Ca -0.01 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1pth h TYR 504 Cb 0.36 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.60 1pth h TYR 504 CO -0.30 0.07 0.59 -1.35 -1.64 0.00 0.00 178.16 175.53 1pth h PRO 505 N -0.12 1.19 -0.85 1.82 0.11 -1.98 -0.32 132.00 131.86 1pth h PRO 505 Ca -0.00 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 1pth h PRO 505 Cb 0.11 -0.27 -0.04 0.00 0.11 0.00 0.00 31.00 30.91 1pth h PRO 505 CO 0.00 0.80 0.46 0.78 -0.21 0.00 0.00 178.00 179.84 1pth h GLY 506 N 1.23 1.27 0.77 -0.55 0.00 -1.12 0.18 103.07 104.85 1pth h GLY 506 Ca 0.33 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1pth h GLY 506 CO -0.07 0.56 0.01 1.41 0.00 0.00 0.00 176.54 178.44 1pth h LEU 507 N 1.19 0.15 -0.68 3.11 3.38 -0.28 -2.75 115.31 119.43 1pth h LEU 507 Ca 0.30 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1pth h LEU 507 Cb 0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1pth h LEU 507 CO -0.05 0.40 -0.60 -0.07 0.09 0.00 0.00 178.44 178.21 1pth h LEU 508 N -0.10 0.23 -1.21 1.67 3.38 -0.97 -3.30 115.31 115.01 1pth h LEU 508 Ca 0.03 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1pth h LEU 508 Cb 0.32 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1pth h LEU 508 CO 0.00 0.77 -0.01 0.18 0.09 0.00 0.00 178.44 179.47 1pth n LEU 509 N -3.87 1.89 -4.82 1.67 4.77 0.63 -2.42 117.00 114.85 1pth n LEU 509 Ca -0.02 -0.63 -0.33 0.00 -0.03 0.00 0.00 56.01 55.00 1pth n LEU 509 Cb 0.61 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.66 1pth n LEU 509 CO 0.44 0.32 0.68 -0.70 -1.33 0.00 0.00 177.39 176.80 1pth s GLU 510 N -2.02 3.94 0.20 3.23 2.12 -1.04 -4.24 118.70 120.89 1pth s GLU 510 Ca 0.35 1.16 -0.31 0.00 0.36 0.00 0.00 54.97 56.53 1pth s GLU 510 Cb 0.21 -2.13 -0.10 0.00 0.26 0.00 0.00 34.13 32.37 1pth s GLU 510 CO 0.33 -0.29 1.50 -1.59 -0.54 0.00 0.00 175.26 174.68 1pth s LYS 511 N -3.50 4.24 0.28 4.30 -2.85 -0.76 -3.82 119.74 117.63 1pth s LYS 511 Ca 0.63 2.33 -0.29 0.00 -1.00 0.00 0.00 55.97 57.63 1pth s LYS 511 Cb -0.12 -3.14 -0.10 0.00 -2.06 0.00 0.00 37.83 32.42 1pth s LYS 511 CO 0.22 -0.52 1.19 0.00 0.10 0.00 0.00 175.35 176.34 1pth n HIS 513 N 1.31 2.47 0.00 0.00 8.25 -0.97 -4.77 115.22 121.50 1pth n HIS 513 Ca 0.00 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 1pth n HIS 513 Cb 0.44 -2.57 0.00 0.00 1.12 0.00 0.00 29.99 28.98 1pth n HIS 513 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1pth n PRO 514 N 3.11 0.00 -2.58 -0.41 -0.02 -1.26 0.14 135.00 133.98 1pth n PRO 514 Ca 0.14 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.49 1pth n PRO 514 Cb 0.32 0.00 0.03 0.00 -0.02 0.00 0.00 33.50 33.83 1pth n PRO 514 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pth n ASN 515 N 0.00 2.67 -4.67 2.55 4.13 -1.26 -5.08 115.26 113.60 1pth n ASN 515 Ca 0.00 -2.94 -0.25 0.00 1.68 0.00 0.00 54.58 53.07 1pth n ASN 515 Cb 0.00 -0.48 -0.07 0.00 -1.54 0.00 0.00 39.78 37.69 1pth n ASN 515 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1pth s SER 516 N -3.41 4.75 0.39 6.41 0.01 0.36 -4.25 113.70 117.95 1pth s SER 516 Ca 0.35 -0.47 0.28 0.00 1.31 0.00 0.00 55.95 57.42 1pth s SER 516 Cb 0.41 -0.98 1.31 0.00 0.21 0.00 0.00 66.02 66.97 1pth s SER 516 CO -0.03 0.05 1.84 -0.29 0.41 0.00 0.00 173.24 175.22 1pth h ILE 517 N 2.18 0.00 -2.42 1.44 2.10 -1.90 -3.42 117.51 115.50 1pth h ILE 517 Ca -0.46 -0.20 0.07 0.00 1.08 0.00 0.00 64.86 65.35 1pth h ILE 517 Cb 1.22 0.95 -0.01 0.00 -1.09 0.00 0.00 36.82 37.90 1pth h ILE 517 CO 0.59 0.00 0.36 2.22 -1.08 0.00 0.00 178.15 180.23 1pth n PHE 518 N -2.53 -1.40 -1.90 2.19 1.16 -1.26 0.38 117.46 114.09 1pth n PHE 518 Ca 0.00 -1.05 0.00 0.00 -1.87 0.00 0.00 57.45 54.54 1pth n PHE 518 Cb 0.17 0.51 0.00 0.00 -1.61 0.00 0.00 39.48 38.56 1pth n PHE 518 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1pth n GLY 519 N -0.48 1.32 0.53 4.97 0.00 -1.26 -2.30 105.19 107.97 1pth n GLY 519 Ca -0.03 -1.98 -0.20 0.00 0.00 0.00 0.00 46.02 43.81 1pth n GLY 519 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pth h GLU 520 N 0.00 -1.26 -0.85 1.61 4.81 -1.95 -3.18 114.58 113.77 1pth h GLU 520 Ca 0.00 0.09 0.17 0.00 -0.13 0.00 0.00 59.36 59.49 1pth h GLU 520 Cb 0.00 0.29 -0.06 0.00 0.63 0.00 0.00 28.75 29.60 1pth h GLU 520 CO 0.00 -0.84 0.56 0.77 -0.73 0.00 0.00 179.01 178.77 1pth h SER 521 N -1.30 0.46 -0.40 1.04 0.02 -1.94 0.07 113.55 111.49 1pth h SER 521 Ca -0.13 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1pth h SER 521 Cb 1.01 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 1pth h SER 521 CO 0.19 0.21 0.23 -0.03 -1.14 0.00 0.00 176.83 176.29 1pth h MET 522 N 0.47 0.45 0.17 3.45 1.85 -1.87 0.62 114.93 120.07 1pth h MET 522 Ca 0.43 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.48 1pth h MET 522 Cb 0.95 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 32.88 1pth h MET 522 CO -0.16 0.30 -0.08 0.82 -0.40 0.00 0.00 176.91 177.39 1pth h ILE 523 N 0.47 0.87 -0.00 1.77 2.04 -1.40 0.94 117.51 122.20 1pth h ILE 523 Ca 0.16 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1pth h ILE 523 Cb 0.01 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1pth h ILE 523 CO -0.08 0.22 0.00 -0.33 0.00 0.00 0.00 178.15 177.96 1pth h GLU 524 N -0.83 0.00 0.00 2.37 4.39 -0.93 -0.47 114.58 119.10 1pth h GLU 524 Ca -0.02 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.41 1pth h GLU 524 Cb 0.53 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 1pth h GLU 524 CO 0.04 0.00 -2.02 -1.33 -1.16 0.00 0.00 179.01 174.54 1pth n MET 525 N -3.65 1.55 -0.01 2.33 2.81 0.20 -4.67 117.12 115.68 1pth n MET 525 Ca -0.03 -0.01 -0.19 0.00 -1.81 0.00 0.00 57.70 55.66 1pth n MET 525 Cb 0.08 -1.38 -0.14 0.00 -0.71 0.00 0.00 33.22 31.07 1pth n MET 525 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1pth h GLY 526 N 2.94 0.19 -0.08 3.03 0.00 -0.57 -3.36 103.07 105.22 1pth h GLY 526 Ca -0.40 -0.49 0.16 0.00 0.00 0.00 0.00 47.33 46.60 1pth h GLY 526 CO 0.02 0.43 0.19 0.00 0.00 0.00 0.00 176.54 177.18 1pth h ALA 527 N -0.04 0.99 -0.09 3.60 0.00 -1.24 -1.82 119.26 120.65 1pth h ALA 527 Ca -0.17 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pth h ALA 527 Cb 1.45 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 1pth h ALA 527 CO 0.04 -0.34 0.04 -1.35 0.00 0.00 0.00 179.25 177.64 1pth h PRO 528 N 0.28 0.13 0.00 0.00 0.11 -1.79 0.31 132.00 131.04 1pth h PRO 528 Ca 0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1pth h PRO 528 Cb 0.73 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1pth h PRO 528 CO -0.51 0.24 0.00 1.19 -0.21 0.00 0.00 178.00 178.70 1pth n PHE 529 N -4.94 0.00 0.00 0.65 3.72 -0.69 -1.09 117.46 115.11 1pth n PHE 529 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1pth n PHE 529 Cb 0.11 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 1pth n PHE 529 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1pth n LEU 531 N -0.02 0.00 -0.01 4.37 4.77 0.11 -2.00 117.00 124.22 1pth n LEU 531 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 1pth n LEU 531 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1pth n LEU 531 CO 0.00 0.00 0.28 0.50 -1.33 0.00 0.00 177.39 176.84 1pth h LYS 532 N 0.00 0.72 0.00 3.23 1.63 -1.33 -1.99 116.57 118.82 1pth h LYS 532 Ca 0.00 -0.59 0.00 0.00 -0.85 0.00 0.00 60.65 59.21 1pth h LYS 532 Cb 0.00 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1pth h LYS 532 CO 0.00 1.20 0.00 0.41 -3.45 0.00 0.00 179.45 177.61 1pth n GLY 533 N 0.69 -0.84 0.28 5.01 0.00 -0.85 -0.72 105.19 108.76 1pth n GLY 533 Ca -0.07 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 1pth n GLY 533 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1pth n LEU 534 N -1.15 2.01 0.06 0.99 7.94 -1.04 -4.50 117.00 121.30 1pth n LEU 534 Ca 0.13 0.10 -0.06 0.00 -1.11 0.00 0.00 56.01 55.07 1pth n LEU 534 Cb 0.12 -0.59 -0.11 0.00 0.53 0.00 0.00 43.42 43.38 1pth n LEU 534 CO 0.14 0.56 0.09 -0.07 -1.11 0.00 0.00 177.39 177.01 1pth h LEU 535 N -0.40 0.00 -3.52 -1.96 -0.00 -1.40 -3.34 115.31 104.69 1pth h LEU 535 Ca -0.45 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.37 1pth h LEU 535 Cb 1.50 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.14 1pth h LEU 535 CO -0.20 0.96 -0.11 0.61 -0.00 0.00 0.00 178.44 179.70 1pth n GLY 536 N 1.36 2.44 3.57 0.83 0.00 0.10 -4.49 105.19 108.99 1pth n GLY 536 Ca -0.02 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 1pth n GLY 536 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pth s ASN 537 N 2.05 4.68 0.60 1.61 3.84 -1.26 -2.73 114.94 123.74 1pth s ASN 537 Ca 0.23 -0.04 0.28 0.00 0.21 0.00 0.00 52.86 53.54 1pth s ASN 537 Cb 0.11 -1.29 1.44 0.00 -0.55 0.00 0.00 41.25 40.96 1pth s ASN 537 CO 0.00 0.33 1.85 1.55 -2.79 0.00 0.00 177.10 178.04 1pth h PRO 538 N 5.51 0.00 0.00 0.43 0.13 -1.86 0.19 132.00 136.39 1pth h PRO 538 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1pth h PRO 538 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1pth h PRO 538 CO 0.54 0.00 0.00 0.44 -0.23 0.00 0.00 178.00 178.75 1pth n ILE 539 N -3.53 0.71 1.42 -3.56 -5.35 -1.26 -2.47 119.36 105.33 1pth n ILE 539 Ca 0.07 0.00 0.14 0.00 -0.27 0.00 0.00 62.75 62.69 1pth n ILE 539 Cb 0.68 -0.90 0.52 0.00 -1.74 0.00 0.00 39.64 38.20 1pth n ILE 539 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1pth s SER 541 N -2.27 6.38 0.45 0.00 1.04 -1.03 -4.81 113.70 113.46 1pth s SER 541 Ca 0.32 1.83 0.30 0.00 0.48 0.00 0.00 55.95 58.89 1pth s SER 541 Cb 0.20 -2.55 1.60 0.00 0.10 0.00 0.00 66.02 65.38 1pth s SER 541 CO 0.43 -0.75 1.93 1.55 0.98 0.00 0.00 173.24 177.38 1pth h PRO 542 N 1.37 0.00 -0.10 4.02 0.13 -1.88 -1.02 132.00 134.52 1pth h PRO 542 Ca -0.49 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.48 1pth h PRO 542 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1pth h PRO 542 CO 0.59 0.00 -0.57 1.49 -0.23 0.00 0.00 178.00 179.28 1pth h GLU 543 N 0.00 0.57 0.00 0.86 4.57 -1.91 -3.36 114.58 115.31 1pth h GLU 543 Ca 0.00 -0.47 -0.06 0.00 -1.18 0.00 0.00 59.36 57.65 1pth h GLU 543 Cb 0.05 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1pth h GLU 543 CO 0.00 1.10 -1.76 0.66 -1.18 0.00 0.00 179.01 177.83 1pth n TYR 544 N -4.17 0.31 -0.83 0.92 4.02 -0.74 -4.56 117.16 112.12 1pth n TYR 544 Ca -0.08 0.10 -0.13 0.00 -0.01 0.00 0.00 57.90 57.78 1pth n TYR 544 Cb 0.64 -0.72 -0.12 0.00 -0.02 0.00 0.00 39.34 39.12 1pth n TYR 544 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 1pth n TRP 545 N -2.47 0.30 -4.27 -0.72 -0.00 -0.47 -4.56 117.44 105.25 1pth n TRP 545 Ca -0.07 -1.40 -0.31 0.00 -0.00 0.00 0.00 57.50 55.72 1pth n TRP 545 Cb 0.66 -1.47 -0.09 0.00 -0.00 0.00 0.00 31.31 30.40 1pth n TRP 545 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1pth s LYS 546 N 1.62 2.42 0.43 5.87 1.02 -1.26 -4.97 119.74 124.87 1pth s LYS 546 Ca 0.53 -0.85 0.30 0.00 0.02 0.00 0.00 55.97 55.97 1pth s LYS 546 Cb 0.24 -2.46 1.35 0.00 -0.52 0.00 0.00 37.83 36.44 1pth s LYS 546 CO -0.01 0.55 1.89 0.00 -0.92 0.00 0.00 175.35 176.87 1pth h ALA 547 N 3.87 1.00 0.00 5.17 0.00 -1.92 -2.26 119.26 125.12 1pth h ALA 547 Ca -0.48 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 1pth h ALA 547 Cb 1.17 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1pth h ALA 547 CO 0.55 0.00 -0.56 0.66 0.00 0.00 0.00 179.25 179.91 1pth h SER 548 N 0.00 0.00 -0.04 0.00 4.64 -1.91 -0.11 113.55 116.12 1pth h SER 548 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1pth h SER 548 Cb 0.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1pth h SER 548 CO 0.00 0.56 0.03 0.74 -0.87 0.00 0.00 176.83 177.29 1pth h THR 549 N 0.00 0.99 -0.66 2.95 2.02 -1.65 -2.20 112.91 114.36 1pth h THR 549 Ca -0.01 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1pth h THR 549 Cb 1.06 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1pth h THR 549 CO 0.07 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.46 1pth n PHE 550 N -4.53 0.88 -0.48 3.16 3.72 -1.12 -4.91 117.46 114.18 1pth n PHE 550 Ca -0.02 -0.46 0.00 0.00 -0.05 0.00 0.00 57.45 56.92 1pth n PHE 550 Cb 0.11 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 1pth n PHE 550 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pth n GLY 551 N 1.56 0.76 0.00 1.37 0.00 -0.83 -3.86 105.19 104.20 1pth n GLY 551 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1pth n GLY 551 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pth n GLY 552 N -2.48 1.37 0.42 -0.02 0.00 -0.07 -4.69 105.19 99.71 1pth n GLY 552 Ca 0.00 -2.25 0.23 0.00 0.00 0.00 0.00 46.02 44.00 1pth n GLY 552 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pth h GLU 553 N 0.00 0.00 0.00 1.61 4.39 -1.93 -1.66 114.58 116.99 1pth h GLU 553 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1pth h GLU 553 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1pth h GLU 553 CO 0.00 0.00 0.00 0.28 -1.16 0.00 0.00 179.01 178.13 1pth n VAL 554 N -3.71 0.00 -0.32 3.13 0.31 -1.26 -1.09 118.33 115.39 1pth n VAL 554 Ca 0.11 1.11 0.18 0.00 -0.01 0.00 0.00 64.34 65.73 1pth n VAL 554 Cb 0.80 -2.08 0.37 0.00 -0.91 0.00 0.00 33.84 32.02 1pth n VAL 554 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1pth h GLY 555 N 0.00 1.71 0.55 2.92 0.00 -1.60 0.42 103.07 107.07 1pth h GLY 555 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.24 1pth h GLY 555 CO 0.00 -0.40 0.11 -2.75 0.00 0.00 0.00 176.54 173.50 1pth h PHE 556 N 0.30 0.19 -0.64 5.60 3.57 -1.24 -1.19 116.94 123.53 1pth h PHE 556 Ca 0.64 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 62.11 1pth h PHE 556 Cb 1.35 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 40.03 1pth h PHE 556 CO -0.13 0.05 0.19 -0.91 -2.23 0.00 0.00 178.31 175.28 1pth h ASN 557 N 0.26 0.91 -0.74 0.41 2.35 0.71 0.04 115.58 119.53 1pth h ASN 557 Ca 0.20 -0.16 0.17 0.00 -0.55 0.00 0.00 56.30 55.95 1pth h ASN 557 Cb 0.22 -0.24 -0.12 0.00 0.05 0.00 0.00 38.32 38.23 1pth h ASN 557 CO -0.23 0.86 0.13 -0.07 -1.65 0.00 0.00 177.43 176.47 1pth h LEU 558 N 0.95 -0.09 0.08 1.61 4.07 -0.86 1.17 115.31 122.23 1pth h LEU 558 Ca 0.21 0.16 -0.00 0.00 0.08 0.00 0.00 57.88 58.33 1pth h LEU 558 Cb 0.28 0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.27 1pth h LEU 558 CO -0.01 -0.09 -0.04 0.58 -1.08 0.00 0.00 178.44 177.81 1pth h VAL 559 N 0.21 1.14 0.00 1.22 2.07 -1.01 -2.66 116.25 117.22 1pth h VAL 559 Ca 0.42 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1pth h VAL 559 Cb 0.73 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1pth h VAL 559 CO -0.56 0.19 0.00 0.29 0.02 0.00 0.00 177.57 177.51 1pth n LYS 560 N -4.97 0.02 -0.36 1.57 5.02 0.13 -3.32 118.16 116.25 1pth n LYS 560 Ca -0.08 0.31 0.04 0.00 -2.02 0.00 0.00 58.31 56.56 1pth n LYS 560 Cb 0.21 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.78 1pth n LYS 560 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1pth n THR 561 N -1.48 0.82 -1.87 -0.18 -2.24 0.36 -5.03 114.28 104.65 1pth n THR 561 Ca 0.03 -1.03 -0.37 0.00 -2.27 0.00 0.00 64.05 60.41 1pth n THR 561 Cb 0.11 0.20 0.05 0.00 -2.10 0.00 0.00 70.33 68.59 1pth n THR 561 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pth s ALA 562 N -1.24 2.51 -0.06 6.98 0.00 -1.02 -5.01 121.76 123.91 1pth s ALA 562 Ca 0.15 1.14 -0.07 0.00 0.00 0.00 0.00 51.96 53.18 1pth s ALA 562 Cb 0.13 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.76 1pth s ALA 562 CO 0.01 -1.37 0.19 0.99 0.00 0.00 0.00 175.76 175.57 1pth s THR 563 N -1.47 0.01 0.21 0.00 2.01 -1.26 -4.68 115.64 110.46 1pth s THR 563 Ca 0.79 -0.09 -0.09 0.00 0.31 0.00 0.00 61.69 62.61 1pth s THR 563 Cb -0.35 -0.30 0.14 0.00 0.01 0.00 0.00 72.50 72.01 1pth s THR 563 CO 0.38 -0.05 1.80 0.25 -0.69 0.00 0.00 174.62 176.31 1pth h LEU 564 N 5.63 0.51 -0.32 4.42 7.12 -1.96 0.46 115.31 131.17 1pth h LEU 564 Ca -0.26 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 57.77 1pth h LEU 564 Cb 1.20 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 41.25 1pth h LEU 564 CO 0.39 0.33 0.15 0.50 -0.13 0.00 0.00 178.44 179.68 1pth h LYS 565 N 0.65 0.47 -0.79 1.25 3.64 -1.95 -1.69 116.57 118.13 1pth h LYS 565 Ca 0.30 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1pth h LYS 565 Cb 0.21 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 1pth h LYS 565 CO -0.19 0.44 0.41 0.87 -2.27 0.00 0.00 179.45 178.71 1pth h LYS 566 N 0.38 1.12 -0.09 1.90 1.57 -1.61 0.92 116.57 120.76 1pth h LYS 566 Ca 0.11 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1pth h LYS 566 Cb 0.13 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1pth h LYS 566 CO -0.01 0.84 -0.11 1.25 -0.57 0.00 0.00 179.45 180.85 1pth h LEU 567 N 1.12 -0.32 0.27 2.94 5.85 0.47 -0.59 115.31 125.04 1pth h LEU 567 Ca 0.28 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 1pth h LEU 567 Cb 0.07 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1pth h LEU 567 CO -0.04 -0.14 -0.13 0.58 -0.34 0.00 0.00 178.44 178.37 1pth h VAL 568 N -0.14 0.00 -0.48 1.05 2.07 -1.08 -3.35 116.25 114.32 1pth h VAL 568 Ca 0.07 -0.65 0.14 0.00 0.82 0.00 0.00 66.70 67.08 1pth h VAL 568 Cb 0.24 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 1pth h VAL 568 CO -0.17 0.00 0.38 0.00 0.02 0.00 0.00 177.57 177.80 1pth n LEU 570 N -4.17 0.68 -0.81 0.00 4.32 -0.23 -3.19 117.00 113.60 1pth n LEU 570 Ca 0.09 0.53 0.07 0.00 -0.02 0.00 0.00 56.01 56.68 1pth n LEU 570 Cb 0.59 -0.34 0.21 0.00 -1.62 0.00 0.00 43.42 42.26 1pth n LEU 570 CO 0.34 -0.14 0.67 0.59 -1.22 0.00 0.00 177.39 177.63 1pth n ASN 571 N -2.13 3.39 -4.10 -1.43 3.02 0.91 -4.98 115.26 109.94 1pth n ASN 571 Ca 0.06 -2.34 -0.19 0.00 -0.03 0.00 0.00 54.58 52.08 1pth n ASN 571 Cb 0.42 -0.36 -0.14 0.00 -0.61 0.00 0.00 39.78 39.09 1pth n ASN 571 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1pth s THR 572 N -1.61 0.94 0.56 3.41 -4.23 -1.00 -5.02 115.64 108.69 1pth s THR 572 Ca 0.32 -0.78 0.34 0.00 -1.18 0.00 0.00 61.69 60.39 1pth s THR 572 Cb 0.21 -0.84 0.34 0.00 1.34 0.00 0.00 72.50 73.55 1pth s THR 572 CO 0.15 0.06 2.05 0.11 -0.54 0.00 0.00 174.62 176.44 1pth h LYS 573 N 5.27 0.00 -2.46 3.99 1.57 -1.93 -3.41 116.57 119.61 1pth h LYS 573 Ca -0.35 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.35 1pth h LYS 573 Cb 1.18 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.25 1pth h LYS 573 CO 0.46 0.00 -0.15 -0.08 -0.57 0.00 0.00 179.45 179.10 1pth s THR 574 N -4.03 -0.01 -0.20 -0.16 -1.32 -1.26 -5.14 115.64 103.52 1pth s THR 574 Ca -0.04 0.03 -0.24 0.00 -1.21 0.00 0.00 61.69 60.23 1pth s THR 574 Cb 0.10 -0.73 -0.01 0.00 -1.51 0.00 0.00 72.50 70.35 1pth s THR 574 CO 0.31 0.01 0.80 0.00 -2.21 0.00 0.00 174.62 173.54 1pth n PRO 576 N 5.47 1.55 -2.41 0.00 -0.04 -1.26 -5.02 135.00 133.29 1pth n PRO 576 Ca 0.04 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.07 1pth n PRO 576 Cb 0.48 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.92 1pth n PRO 576 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1pth s TYR 577 N 1.25 2.96 -0.07 0.54 5.04 -1.26 -4.98 117.35 120.83 1pth s TYR 577 Ca 0.00 1.05 0.01 0.00 -2.44 0.00 0.00 57.07 55.69 1pth s TYR 577 Cb 0.00 -3.50 0.02 0.00 0.35 0.00 0.00 41.96 38.83 1pth s TYR 577 CO 0.00 -1.68 -0.09 0.14 -1.34 0.00 0.00 175.55 172.58 1pth s VAL 578 N 2.90 0.97 -0.29 3.14 -7.23 -1.26 -4.02 120.40 114.61 1pth s VAL 578 Ca 0.57 -0.35 -0.33 0.00 -1.81 0.00 0.00 61.98 60.05 1pth s VAL 578 Cb -0.24 -0.94 0.18 0.00 0.56 0.00 0.00 36.38 35.94 1pth s VAL 578 CO 0.19 0.33 1.38 -0.55 -0.31 0.00 0.00 175.10 176.14 1pth s SER 579 N 1.00 -0.02 0.21 4.85 0.15 -1.26 -4.80 113.70 113.83 1pth s SER 579 Ca -0.09 0.01 0.25 0.00 0.70 0.00 0.00 55.95 56.83 1pth s SER 579 Cb -0.15 0.02 0.60 0.00 -1.71 0.00 0.00 66.02 64.78 1pth s SER 579 CO -0.00 -0.02 1.60 -0.26 1.20 0.00 0.00 173.24 175.76 1pth h PHE 580 N 2.02 0.00 -3.14 3.44 0.04 -1.95 -3.43 116.94 113.92 1pth h PHE 580 Ca -0.05 0.00 -0.62 0.00 2.80 0.00 0.00 57.97 60.10 1pth h PHE 580 Cb 1.16 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.19 1pth h PHE 580 CO 0.24 0.00 -0.51 -1.58 -0.60 0.00 0.00 178.31 175.85 1pth s HIS 581 N -3.14 3.40 0.35 -0.55 2.46 -1.26 -2.28 115.29 114.26 1pth s HIS 581 Ca 0.09 0.30 -0.28 0.00 0.47 0.00 0.00 55.06 55.64 1pth s HIS 581 Cb 0.12 -2.07 -0.10 0.00 -0.13 0.00 0.00 32.58 30.40 1pth s HIS 581 CO 0.65 0.36 1.25 0.54 -2.47 0.00 0.00 174.74 175.07 1pth s VAL 582 N -0.01 2.88 -1.49 0.89 0.11 0.91 -4.86 120.40 118.83 1pth s VAL 582 Ca 0.08 0.84 0.00 0.00 -2.93 0.00 0.00 61.98 59.98 1pth s VAL 582 Cb -0.12 -3.52 0.00 0.00 -1.53 0.00 0.00 36.38 31.22 1pth s VAL 582 CO 0.00 0.17 0.37 -0.81 -3.33 0.00 0.00 175.10 171.50