#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wei n GLY -7 N 0.00 0.48 0.27 5.00 0.00 -1.26 -4.52 105.19 105.15 2wei n GLY -7 Ca 0.00 -1.60 -0.14 0.00 0.00 0.00 0.00 46.02 44.28 2wei n GLY -7 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wei h ARG -6 N 0.00 -0.48 0.09 1.61 2.43 -2.05 -1.17 114.38 114.81 2wei h ARG -6 Ca 0.00 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2wei h ARG -6 Cb 0.00 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2wei h ARG -6 CO 0.00 -0.32 -0.12 0.93 -1.51 0.00 0.00 179.97 178.95 2wei h GLU -5 N -0.50 -0.24 -0.68 0.20 5.08 -1.99 -0.09 114.58 116.35 2wei h GLU -5 Ca -0.01 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2wei h GLU -5 Cb 0.46 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2wei h GLU -5 CO -0.04 -0.16 0.35 -0.97 -1.00 0.00 0.00 179.01 177.18 2wei h ASN -4 N -0.25 0.87 -0.78 1.42 -0.73 -1.78 -0.35 115.58 113.97 2wei h ASN -4 Ca 0.01 -0.12 -0.01 0.00 1.87 0.00 0.00 56.30 58.06 2wei h ASN -4 Cb 0.26 -0.22 -0.04 0.00 0.27 0.00 0.00 38.32 38.59 2wei h ASN -4 CO -0.06 0.74 0.45 0.25 -0.37 0.00 0.00 177.43 178.45 2wei h LEU -3 N 0.94 0.96 -0.20 0.34 5.85 -0.96 -1.25 115.31 120.99 2wei h LEU -3 Ca 0.24 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2wei h LEU -3 Cb 0.08 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2wei h LEU -3 CO -0.03 0.76 0.03 0.22 -0.34 0.00 0.00 178.44 179.08 2wei h TYR -2 N 1.10 0.36 0.00 1.25 3.20 -0.35 -2.55 116.97 119.98 2wei h TYR -2 Ca 0.28 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2wei h TYR -2 Cb -0.01 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.16 2wei h TYR -2 CO 0.01 0.48 0.00 1.19 -1.64 0.00 0.00 178.16 178.20 2wei n PHE -1 N -4.74 0.51 0.41 -3.82 0.99 -0.20 -2.15 117.46 108.45 2wei n PHE -1 Ca -0.04 0.21 0.10 0.00 -0.00 0.00 0.00 57.45 57.71 2wei n PHE -1 Cb 0.19 -0.84 0.41 0.00 -1.00 0.00 0.00 39.48 38.25 2wei n PHE -1 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 2wei n GLN 0 N -1.97 0.12 0.00 -1.08 6.02 -0.50 -4.46 117.38 115.51 2wei n GLN 0 Ca 0.02 0.38 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 2wei n GLN 0 Cb 0.18 -1.73 0.00 0.00 1.02 0.00 0.00 30.24 29.70 2wei n GLN 0 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wei n GLY 70 N -0.13 -0.00 0.11 1.08 0.00 -0.91 -4.26 105.19 101.08 2wei n GLY 70 Ca 0.02 -0.97 -0.01 0.00 0.00 0.00 0.00 46.02 45.07 2wei n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wei h THR 71 N 0.00 1.12 -0.16 2.61 1.03 -1.90 -3.13 112.91 112.47 2wei h THR 71 Ca 0.00 -2.59 -0.00 0.00 -0.01 0.00 0.00 66.41 63.81 2wei h THR 71 Cb 0.00 2.54 -0.01 0.00 -1.07 0.00 0.00 68.15 69.62 2wei h THR 71 CO 0.00 0.64 0.10 0.15 -0.01 0.00 0.00 175.52 176.40 2wei h PHE 72 N 0.00 0.21 -0.15 0.00 3.57 -1.86 -0.77 116.94 117.94 2wei h PHE 72 Ca -0.02 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 2wei h PHE 72 Cb 1.52 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 2wei h PHE 72 CO 0.00 0.18 -0.35 0.00 -2.23 0.00 0.00 178.31 175.91 2wei h ALA 73 N 1.02 1.12 -0.29 2.41 0.00 -1.72 0.13 119.26 121.93 2wei h ALA 73 Ca 0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2wei h ALA 73 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2wei h ALA 73 CO -0.01 0.57 0.08 1.49 0.00 0.00 0.00 179.25 181.38 2wei h GLU 74 N 0.27 0.45 0.05 0.00 4.81 -1.48 -3.34 114.58 115.34 2wei h GLU 74 Ca 0.03 -0.10 -0.27 0.00 -0.13 0.00 0.00 59.36 58.89 2wei h GLU 74 Cb 0.75 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 2wei h GLU 74 CO 0.06 0.52 -1.42 0.00 -0.73 0.00 0.00 179.01 177.44 2wei h ARG 75 N 0.30 0.11 -5.63 1.92 3.08 -0.89 -3.46 114.38 109.80 2wei h ARG 75 Ca 0.09 -0.18 -0.51 0.00 0.07 0.00 0.00 59.98 59.45 2wei h ARG 75 Cb 0.26 0.07 -0.26 0.00 0.08 0.00 0.00 29.97 30.12 2wei h ARG 75 CO -0.00 0.92 -0.82 0.71 -1.07 0.00 0.00 179.97 179.71 2wei s TYR 76 N -2.64 1.48 -0.14 3.04 1.51 0.43 -0.81 117.35 120.21 2wei s TYR 76 Ca -0.05 -0.35 -0.03 0.00 -1.01 0.00 0.00 57.07 55.63 2wei s TYR 76 Cb 0.08 -0.89 -0.03 0.00 -0.11 0.00 0.00 41.96 41.02 2wei s TYR 76 CO 0.83 0.05 -0.02 1.21 -1.11 0.00 0.00 175.55 176.52 2wei s ASN 77 N -1.06 4.99 -0.08 2.29 2.47 -0.31 -4.46 114.94 118.77 2wei s ASN 77 Ca 0.04 -0.04 -0.30 0.00 0.42 0.00 0.00 52.86 52.99 2wei s ASN 77 Cb -0.08 -1.70 -0.04 0.00 -1.45 0.00 0.00 41.25 37.99 2wei s ASN 77 CO 0.01 0.23 1.35 -0.63 -3.72 0.00 0.00 177.10 174.34 2wei s ILE 78 N 0.01 4.01 -0.18 -5.21 -1.09 -1.26 -0.11 121.20 117.37 2wei s ILE 78 Ca 0.02 1.30 -0.19 0.00 -2.23 0.00 0.00 60.65 59.54 2wei s ILE 78 Cb -0.13 -3.83 -0.22 0.00 -1.58 0.00 0.00 42.46 36.70 2wei s ILE 78 CO 0.02 -0.06 0.31 0.58 -1.23 0.00 0.00 174.94 174.56 2wei h VAL 79 N 5.24 0.93 -2.44 2.92 2.07 -1.21 -3.48 116.25 120.29 2wei h VAL 79 Ca -0.33 -2.24 0.11 0.00 0.82 0.00 0.00 66.70 65.06 2wei h VAL 79 Cb 1.15 2.39 -0.12 0.00 -1.52 0.00 0.00 31.29 33.19 2wei h VAL 79 CO 0.93 0.46 0.44 0.00 0.02 0.00 0.00 177.57 179.42 2wei s MET 81 N -3.30 4.78 -0.02 0.00 1.00 -1.26 -0.95 119.30 119.55 2wei s MET 81 Ca 0.07 1.52 0.12 0.00 0.00 0.00 0.00 55.69 57.40 2wei s MET 81 Cb -0.01 -3.20 -0.18 0.00 0.00 0.00 0.00 34.83 31.43 2wei s MET 81 CO -0.05 0.43 0.26 1.28 0.00 0.00 0.00 175.02 176.94 2wei n LEU 82 N 1.31 0.00 0.00 -0.03 4.77 0.01 -4.83 117.00 118.22 2wei n LEU 82 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2wei n LEU 82 Cb 0.47 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2wei n LEU 82 CO 0.50 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 2wei n GLY 83 N 1.84 3.29 3.68 -0.72 0.00 -1.06 -4.99 105.19 107.23 2wei n GLY 83 Ca -0.03 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 2wei n GLY 83 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wei s LYS 84 N -2.09 4.40 0.51 1.61 2.20 -1.26 -0.91 119.74 124.19 2wei s LYS 84 Ca 0.00 1.33 0.07 0.00 -0.36 0.00 0.00 55.97 57.01 2wei s LYS 84 Cb 0.00 -3.55 0.03 0.00 -1.51 0.00 0.00 37.83 32.80 2wei s LYS 84 CO 0.00 -0.32 0.46 0.20 -0.36 0.00 0.00 175.35 175.33 2wei s GLY 85 N 1.10 2.18 0.34 5.54 0.00 0.11 -4.93 107.32 111.67 2wei s GLY 85 Ca 0.47 -1.64 -0.28 0.00 0.00 0.00 0.00 44.72 43.27 2wei s GLY 85 CO 0.17 -1.81 1.35 1.44 0.00 0.00 0.00 173.10 174.25 2wei n SER 86 N -1.77 3.03 0.00 1.64 7.64 -1.26 -2.79 113.62 120.11 2wei n SER 86 Ca 0.03 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.12 2wei n SER 86 Cb 0.63 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 2wei n SER 86 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2wei n PHE 87 N 0.55 0.00 0.00 1.43 0.99 -1.26 -4.86 117.46 114.31 2wei n PHE 87 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 2wei n PHE 87 Cb 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.84 2wei n PHE 87 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2wei n GLY 88 N -1.29 -0.95 3.81 1.37 0.00 -1.12 -4.46 105.19 102.56 2wei n GLY 88 Ca 0.00 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 2wei n GLY 88 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wei s GLU 89 N -2.00 4.24 -0.11 1.61 0.41 -1.07 -0.71 118.70 121.08 2wei s GLU 89 Ca 0.00 0.79 -0.02 0.00 -0.41 0.00 0.00 54.97 55.34 2wei s GLU 89 Cb 0.00 -3.16 -0.03 0.00 -1.78 0.00 0.00 34.13 29.16 2wei s GLU 89 CO 0.00 0.58 -0.04 0.08 -0.49 0.00 0.00 175.26 175.39 2wei s VAL 90 N -1.21 3.97 0.11 2.63 1.01 -0.09 -0.95 120.40 125.87 2wei s VAL 90 Ca 0.33 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 62.00 2wei s VAL 90 Cb -0.19 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 2wei s VAL 90 CO 0.20 0.56 -0.13 -0.76 0.00 0.00 0.00 175.10 174.97 2wei s LEU 91 N -0.39 2.39 -0.11 3.92 1.43 -0.24 -0.81 118.68 124.86 2wei s LEU 91 Ca 0.06 -0.78 -0.21 0.00 -1.03 0.00 0.00 54.13 52.18 2wei s LEU 91 Cb -0.12 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 2wei s LEU 91 CO 0.02 -0.15 0.58 -0.75 0.23 0.00 0.00 176.35 176.28 2wei s LYS 92 N -2.56 4.35 0.26 1.70 2.20 -0.12 -0.88 119.74 124.70 2wei s LYS 92 Ca 0.07 0.63 0.05 0.00 -0.36 0.00 0.00 55.97 56.36 2wei s LYS 92 Cb -0.05 -3.47 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 2wei s LYS 92 CO 0.02 0.05 -0.01 0.00 -0.36 0.00 0.00 175.35 175.06 2wei s LYS 94 N -3.82 1.72 -0.05 0.00 1.02 0.84 -0.54 119.74 118.91 2wei s LYS 94 Ca 0.30 -0.67 -0.30 0.00 0.02 0.00 0.00 55.97 55.32 2wei s LYS 94 Cb 0.06 -1.58 -0.05 0.00 -0.52 0.00 0.00 37.83 35.74 2wei s LYS 94 CO 0.11 0.35 1.55 0.34 -0.92 0.00 0.00 175.35 176.77 2wei s ASP 95 N -0.24 6.74 0.18 2.83 -1.08 -0.04 -1.17 116.67 123.89 2wei s ASP 95 Ca 0.02 2.14 -0.12 0.00 -0.52 0.00 0.00 52.55 54.07 2wei s ASP 95 Cb -0.09 -2.54 0.09 0.00 -1.46 0.00 0.00 42.92 38.92 2wei s ASP 95 CO 0.01 -0.86 1.80 0.03 0.52 0.00 0.00 175.17 176.67 2wei h ARG 96 N 8.96 0.85 -0.20 4.34 3.08 -1.31 0.35 114.38 130.44 2wei h ARG 96 Ca -0.37 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 59.54 2wei h ARG 96 Cb 1.17 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 2wei h ARG 96 CO 0.95 0.63 -0.04 0.82 -1.07 0.00 0.00 179.97 181.27 2wei h ILE 97 N 0.83 1.28 0.00 2.04 2.04 -1.91 -3.32 117.51 118.48 2wei h ILE 97 Ca 0.22 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 65.08 2wei h ILE 97 Cb 0.02 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 2wei h ILE 97 CO -0.04 0.30 -1.28 0.35 0.00 0.00 0.00 178.15 177.49 2wei n THR 98 N -4.64 0.12 -0.90 -0.27 -2.24 -1.16 -4.97 114.28 100.23 2wei n THR 98 Ca -0.04 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2wei n THR 98 Cb 0.27 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 2wei n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wei n GLN 99 N -2.00 -1.07 -2.43 -0.78 1.13 0.12 -4.99 117.38 107.36 2wei n GLN 99 Ca 0.01 0.27 -0.39 0.00 -1.94 0.00 0.00 57.00 54.95 2wei n GLN 99 Cb 0.46 -4.33 -0.03 0.00 0.11 0.00 0.00 30.24 26.45 2wei n GLN 99 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2wei s GLN 100 N -1.27 4.32 0.01 -1.09 1.11 -1.26 -4.71 119.66 116.78 2wei s GLN 100 Ca 0.00 1.75 -0.04 0.00 0.01 0.00 0.00 55.36 57.08 2wei s GLN 100 Cb 0.00 -2.85 -0.04 0.00 -1.01 0.00 0.00 33.01 29.10 2wei s GLN 100 CO 0.00 -0.06 0.23 -1.21 0.01 0.00 0.00 175.29 174.27 2wei s GLU 101 N -2.00 3.51 0.18 2.91 2.02 -1.26 -0.86 118.70 123.19 2wei s GLU 101 Ca 0.52 -0.21 -0.02 0.00 0.02 0.00 0.00 54.97 55.28 2wei s GLU 101 Cb -0.29 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 2wei s GLU 101 CO 0.37 0.64 0.12 0.71 0.02 0.00 0.00 175.26 177.12 2wei s TYR 102 N -1.35 1.01 -0.08 1.61 2.02 0.30 -4.62 117.35 116.24 2wei s TYR 102 Ca 0.29 -1.29 -0.11 0.00 -0.37 0.00 0.00 57.07 55.59 2wei s TYR 102 Cb -0.13 -0.50 -0.05 0.00 -0.40 0.00 0.00 41.96 40.89 2wei s TYR 102 CO 0.19 -0.61 0.26 0.00 -1.57 0.00 0.00 175.55 173.81 2wei s ALA 103 N -4.11 3.78 -0.08 3.71 0.00 -0.29 -0.94 121.76 123.82 2wei s ALA 103 Ca 0.33 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 51.85 2wei s ALA 103 Cb 0.07 -2.18 0.01 0.00 0.00 0.00 0.00 23.12 21.02 2wei s ALA 103 CO 0.08 0.50 -0.16 0.54 0.00 0.00 0.00 175.76 176.72 2wei s VAL 104 N -0.85 1.47 -0.23 0.00 0.11 -0.05 -0.71 120.40 120.13 2wei s VAL 104 Ca 0.18 -0.67 -0.10 0.00 -2.93 0.00 0.00 61.98 58.46 2wei s VAL 104 Cb -0.14 -1.31 -0.05 0.00 -1.53 0.00 0.00 36.38 33.36 2wei s VAL 104 CO 0.07 0.43 0.15 -0.75 -3.33 0.00 0.00 175.10 171.67 2wei s LYS 105 N 0.57 4.08 -0.30 1.54 2.20 0.20 -1.08 119.74 126.95 2wei s LYS 105 Ca -0.16 -0.27 -0.09 0.00 -0.36 0.00 0.00 55.97 55.10 2wei s LYS 105 Cb -0.17 -3.50 -0.00 0.00 -1.51 0.00 0.00 37.83 32.65 2wei s LYS 105 CO 0.05 0.11 0.12 0.08 -0.36 0.00 0.00 175.35 175.36 2wei s VAL 106 N 0.91 4.39 -0.18 4.02 1.01 -0.12 -0.82 120.40 129.60 2wei s VAL 106 Ca 0.07 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.58 2wei s VAL 106 Cb -0.13 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.04 2wei s VAL 106 CO 0.03 0.09 -0.19 -0.63 0.00 0.00 0.00 175.10 174.41 2wei s ILE 107 N 1.58 2.16 0.28 2.22 1.01 0.01 -2.59 121.20 125.88 2wei s ILE 107 Ca 0.04 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.48 2wei s ILE 107 Cb -0.17 -1.91 -0.11 0.00 0.01 0.00 0.00 42.46 40.28 2wei s ILE 107 CO 0.05 0.53 1.62 0.21 0.00 0.00 0.00 174.94 177.35 2wei s ASN 108 N 1.26 6.37 0.56 3.58 3.84 -1.26 -0.64 114.94 128.65 2wei s ASN 108 Ca 0.04 2.95 0.29 0.00 0.21 0.00 0.00 52.86 56.34 2wei s ASN 108 Cb -0.13 -2.63 1.66 0.00 -0.55 0.00 0.00 41.25 39.60 2wei s ASN 108 CO -0.11 -0.93 2.18 0.11 -2.79 0.00 0.00 177.10 175.55 2wei h LYS 109 N 5.12 0.00 0.00 0.43 1.57 -1.11 0.31 116.57 122.90 2wei h LYS 109 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2wei h LYS 109 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2wei h LYS 109 CO 0.82 0.05 0.00 0.00 -0.57 0.00 0.00 179.45 179.75 2wei h ALA 110 N 1.95 1.00 -0.01 3.86 0.00 -1.90 -2.29 119.26 121.87 2wei h ALA 110 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wei h ALA 110 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2wei h ALA 110 CO 0.01 0.00 -0.14 0.43 0.00 0.00 0.00 179.25 179.55 2wei n SER 111 N -3.08 0.85 -4.74 0.00 7.64 0.10 -4.90 113.62 109.48 2wei n SER 111 Ca -0.02 -0.89 -0.42 0.00 1.01 0.00 0.00 58.87 58.55 2wei n SER 111 Cb 0.11 0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.31 2wei n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wei s ALA 112 N -2.36 3.70 0.09 -0.43 0.00 -0.86 -0.79 121.76 121.11 2wei s ALA 112 Ca 0.30 1.41 0.08 0.00 0.00 0.00 0.00 51.96 53.75 2wei s ALA 112 Cb 0.20 -3.60 -0.12 0.00 0.00 0.00 0.00 23.12 19.60 2wei s ALA 112 CO 0.46 -0.82 1.33 0.87 0.00 0.00 0.00 175.76 177.60 2wei h LYS 113 N 5.41 0.00 -5.21 0.00 1.57 -0.82 -3.44 116.57 114.08 2wei h LYS 113 Ca -0.45 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.70 2wei h LYS 113 Cb 1.21 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.35 2wei h LYS 113 CO 0.82 0.90 -0.58 1.21 -0.57 0.00 0.00 179.45 181.22 2wei s ASN 114 N -6.68 5.46 0.16 0.86 3.84 -1.26 -4.98 114.94 112.35 2wei s ASN 114 Ca 0.01 0.00 0.24 0.00 0.21 0.00 0.00 52.86 53.33 2wei s ASN 114 Cb 0.10 -1.94 0.91 0.00 -0.55 0.00 0.00 41.25 39.77 2wei s ASN 114 CO 0.80 0.13 1.74 2.29 -2.79 0.00 0.00 177.10 179.27 2wei n LYS 115 N 3.85 0.16 -3.06 0.43 2.85 -1.26 -4.46 118.16 116.67 2wei n LYS 115 Ca -0.16 0.25 -0.44 0.00 -1.05 0.00 0.00 58.31 56.90 2wei n LYS 115 Cb 0.52 -1.74 -0.05 0.00 -0.65 0.00 0.00 35.03 33.12 2wei n LYS 115 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2wei s ASP 116 N -3.99 6.19 0.41 -5.58 3.68 -1.26 -4.93 116.67 111.19 2wei s ASP 116 Ca 0.09 -1.21 0.13 0.00 2.13 0.00 0.00 52.55 53.69 2wei s ASP 116 Cb 0.12 -2.33 0.96 0.00 -1.45 0.00 0.00 42.92 40.23 2wei s ASP 116 CO 0.48 -1.13 1.93 0.74 0.13 0.00 0.00 175.17 177.32 2wei h THR 117 N 5.92 0.86 -0.18 1.71 2.02 -2.02 -1.63 112.91 119.60 2wei h THR 117 Ca -0.29 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 66.75 2wei h THR 117 Cb 1.09 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2wei h THR 117 CO 1.09 0.09 0.12 0.77 0.37 0.00 0.00 175.52 177.96 2wei h SER 118 N 0.51 0.09 0.00 4.18 4.64 -1.96 -1.39 113.55 119.62 2wei h SER 118 Ca 0.35 -0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.49 2wei h SER 118 Cb 0.66 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2wei h SER 118 CO -0.12 0.06 -0.60 0.71 -0.87 0.00 0.00 176.83 176.01 2wei h THR 119 N 0.10 1.32 -0.30 2.95 1.35 -1.70 -1.36 112.91 115.27 2wei h THR 119 Ca 0.08 -1.86 -0.02 0.00 -0.55 0.00 0.00 66.41 64.06 2wei h THR 119 Cb 0.19 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 68.42 2wei h THR 119 CO -0.01 0.58 0.12 0.40 -0.25 0.00 0.00 175.52 176.36 2wei h ILE 120 N 0.45 1.17 -0.80 6.82 2.04 -1.30 -0.64 117.51 125.26 2wei h ILE 120 Ca -0.00 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.33 2wei h ILE 120 Cb 1.17 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 2wei h ILE 120 CO 0.12 0.18 0.50 -0.07 0.00 0.00 0.00 178.15 178.87 2wei h LEU 121 N 0.34 0.95 -0.39 1.44 3.38 -1.22 -1.41 115.31 118.39 2wei h LEU 121 Ca 0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2wei h LEU 121 Cb 0.17 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2wei h LEU 121 CO -0.01 0.72 0.18 -0.09 0.09 0.00 0.00 178.44 179.33 2wei h ARG 122 N 1.09 0.57 -0.13 1.13 9.65 -1.08 0.29 114.38 125.90 2wei h ARG 122 Ca 0.29 -0.09 0.02 0.00 -1.10 0.00 0.00 59.98 59.10 2wei h ARG 122 Cb -0.07 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.40 2wei h ARG 122 CO -0.06 0.51 0.01 0.93 2.80 0.00 0.00 179.97 184.16 2wei h GLU 123 N 0.49 0.05 -0.38 0.20 4.39 -0.69 -0.68 114.58 117.97 2wei h GLU 123 Ca 0.13 -0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.73 2wei h GLU 123 Cb 0.14 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 2wei h GLU 123 CO -0.02 0.04 -0.18 0.28 -1.16 0.00 0.00 179.01 177.97 2wei h VAL 124 N 0.06 1.26 -0.95 3.13 2.07 -1.17 -1.90 116.25 118.75 2wei h VAL 124 Ca 0.06 -1.24 0.04 0.00 0.82 0.00 0.00 66.70 66.38 2wei h VAL 124 Cb 0.07 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 2wei h VAL 124 CO -0.10 0.41 0.62 -0.33 0.02 0.00 0.00 177.57 178.20 2wei h GLU 125 N 0.63 1.14 -0.67 1.57 4.39 -0.46 -0.52 114.58 120.67 2wei h GLU 125 Ca 0.10 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 2wei h GLU 125 Cb 0.65 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2wei h GLU 125 CO 0.05 0.76 0.23 -0.07 -1.16 0.00 0.00 179.01 178.82 2wei h LEU 126 N 1.18 0.95 -1.14 1.33 3.38 -0.55 -3.02 115.31 117.45 2wei h LEU 126 Ca 0.38 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 2wei h LEU 126 Cb 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2wei h LEU 126 CO -0.12 0.89 -0.15 -0.07 0.09 0.00 0.00 178.44 179.08 2wei h LEU 127 N 0.96 0.41 -1.91 1.67 3.38 -0.60 -2.58 115.31 116.65 2wei h LEU 127 Ca 0.22 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2wei h LEU 127 Cb 0.26 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2wei h LEU 127 CO -0.01 0.59 -0.06 0.11 0.09 0.00 0.00 178.44 179.16 2wei h LYS 128 N 0.39 0.00 0.00 1.13 1.57 -0.99 -2.55 116.57 116.13 2wei h LYS 128 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2wei h LYS 128 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2wei h LYS 128 CO 0.03 0.06 -0.00 1.63 -0.57 0.00 0.00 179.45 180.60 2wei n LYS 129 N -4.42 0.17 -2.40 3.15 5.02 -0.97 -4.80 118.16 113.91 2wei n LYS 129 Ca -0.03 0.14 -0.31 0.00 -2.02 0.00 0.00 58.31 56.10 2wei n LYS 129 Cb 0.14 -1.70 -0.02 0.00 -0.02 0.00 0.00 35.03 33.43 2wei n LYS 129 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wei s LEU 130 N -4.01 3.56 -0.27 -0.35 1.43 -0.96 -5.07 118.68 113.01 2wei s LEU 130 Ca 0.12 1.32 -0.04 0.00 -1.03 0.00 0.00 54.13 54.51 2wei s LEU 130 Cb 0.15 -4.28 0.15 0.00 0.03 0.00 0.00 46.19 42.23 2wei s LEU 130 CO 0.58 -0.62 0.51 -0.62 0.23 0.00 0.00 176.35 176.43 2wei s ASP 131 N -3.56 -0.67 -0.16 2.29 -1.08 -1.26 -4.90 116.67 107.33 2wei s ASP 131 Ca 0.54 0.79 -0.17 0.00 -0.52 0.00 0.00 52.55 53.20 2wei s ASP 131 Cb -0.10 1.74 0.04 0.00 -1.46 0.00 0.00 42.92 43.14 2wei s ASP 131 CO 0.40 -0.26 0.46 -2.28 0.52 0.00 0.00 175.17 174.01 2wei s HIS 132 N 2.73 -0.49 -0.51 -5.34 2.46 -1.26 -5.06 115.29 107.81 2wei s HIS 132 Ca 0.11 1.17 0.18 0.00 0.47 0.00 0.00 55.06 56.99 2wei s HIS 132 Cb -0.14 0.18 0.86 0.00 -0.13 0.00 0.00 32.58 33.35 2wei s HIS 132 CO -0.18 -0.27 1.56 -0.35 -2.47 0.00 0.00 174.74 173.03 2wei n PRO 133 N 2.64 0.12 -0.24 2.88 -0.04 -1.26 -1.93 135.00 137.17 2wei n PRO 133 Ca -0.14 0.50 0.06 0.00 -0.04 0.00 0.00 63.50 63.88 2wei n PRO 133 Cb 0.57 -1.80 0.18 0.00 -0.04 0.00 0.00 33.50 32.40 2wei n PRO 133 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wei n ASN 134 N -2.05 3.17 -4.24 3.54 5.03 -1.26 -4.82 115.26 114.64 2wei n ASN 134 Ca 0.01 -2.19 -0.32 0.00 0.87 0.00 0.00 54.58 52.94 2wei n ASN 134 Cb 0.11 -0.30 -0.16 0.00 -1.02 0.00 0.00 39.78 38.41 2wei n ASN 134 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2wei s ILE 135 N -1.35 2.31 0.17 2.41 -1.09 -0.81 -0.71 121.20 122.14 2wei s ILE 135 Ca 0.28 -0.92 -0.33 0.00 -2.23 0.00 0.00 60.65 57.45 2wei s ILE 135 Cb 0.17 -1.92 -0.14 0.00 -1.58 0.00 0.00 42.46 38.99 2wei s ILE 135 CO 0.15 0.54 1.53 0.80 -1.23 0.00 0.00 174.94 176.74 2wei n MET 136 N 3.74 2.08 -2.72 2.79 0.00 -0.59 -4.63 117.12 117.79 2wei n MET 136 Ca -0.19 0.75 -0.41 0.00 -0.00 0.00 0.00 57.70 57.84 2wei n MET 136 Cb 0.52 -2.49 -0.04 0.00 0.00 0.00 0.00 33.22 31.22 2wei n MET 136 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2wei s LYS 137 N 0.60 4.64 -0.02 2.12 2.47 -1.26 -5.00 119.74 123.29 2wei s LYS 137 Ca 0.77 1.44 -0.00 0.00 -1.56 0.00 0.00 55.97 56.62 2wei s LYS 137 Cb -0.69 -3.41 -0.04 0.00 -1.46 0.00 0.00 37.83 32.24 2wei s LYS 137 CO 0.41 0.10 0.06 -0.51 0.16 0.00 0.00 175.35 175.56 2wei s LEU 138 N 0.44 3.81 -0.08 5.43 1.43 -1.26 -1.92 118.68 126.52 2wei s LEU 138 Ca 0.49 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.75 2wei s LEU 138 Cb -0.22 -2.17 -0.07 0.00 0.03 0.00 0.00 46.19 43.75 2wei s LEU 138 CO 0.29 0.29 -0.04 0.49 0.23 0.00 0.00 176.35 177.61 2wei n PHE 139 N 1.35 0.00 -3.68 0.29 0.99 0.64 -4.72 117.46 112.34 2wei n PHE 139 Ca -0.14 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.16 2wei n PHE 139 Cb 0.53 -0.36 -0.08 0.00 -1.00 0.00 0.00 39.48 38.57 2wei n PHE 139 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 2wei s GLU 140 N -2.18 0.76 -0.13 -1.08 2.02 -0.95 -5.01 118.70 112.13 2wei s GLU 140 Ca -0.09 0.15 0.01 0.00 0.02 0.00 0.00 54.97 55.06 2wei s GLU 140 Cb 0.03 0.35 0.02 0.00 0.10 0.00 0.00 34.13 34.63 2wei s GLU 140 CO 0.25 -0.20 -0.14 -1.50 0.02 0.00 0.00 175.26 173.69 2wei s ILE 141 N -0.91 1.50 0.36 -1.63 2.07 -1.26 -0.91 121.20 120.42 2wei s ILE 141 Ca -0.10 -0.61 0.07 0.00 -1.41 0.00 0.00 60.65 58.60 2wei s ILE 141 Cb -0.03 -1.40 -0.07 0.00 0.13 0.00 0.00 42.46 41.09 2wei s ILE 141 CO 0.05 0.44 -0.02 -0.76 -1.91 0.00 0.00 174.94 172.75 2wei s LEU 142 N 1.27 2.68 0.05 8.50 1.43 0.00 -4.96 118.68 127.65 2wei s LEU 142 Ca -0.00 -1.30 -0.05 0.00 -1.03 0.00 0.00 54.13 51.74 2wei s LEU 142 Cb -0.14 -0.81 -0.02 0.00 0.03 0.00 0.00 46.19 45.25 2wei s LEU 142 CO -0.06 -0.40 0.08 -1.61 0.23 0.00 0.00 176.35 174.59 2wei s GLU 143 N -3.71 0.62 0.00 1.70 2.02 -1.26 -0.42 118.70 117.65 2wei s GLU 143 Ca 0.34 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.44 2wei s GLU 143 Cb 0.07 0.24 0.00 0.00 0.10 0.00 0.00 34.13 34.54 2wei s GLU 143 CO 0.16 -0.15 0.00 -0.40 0.02 0.00 0.00 175.26 174.89 2wei n ASP 144 N 0.52 0.90 0.21 -0.19 3.85 -0.45 -4.47 116.55 116.91 2wei n ASP 144 Ca -0.17 -0.53 0.05 0.00 -0.71 0.00 0.00 54.79 53.43 2wei n ASP 144 Cb 0.60 0.00 0.45 0.00 -1.35 0.00 0.00 41.12 40.82 2wei n ASP 144 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 2wei h SER 145 N 0.00 0.00 0.02 -1.12 0.02 -1.92 -3.25 113.55 107.30 2wei h SER 145 Ca 0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 2wei h SER 145 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2wei h SER 145 CO 0.00 0.29 -2.16 -1.20 -1.14 0.00 0.00 176.83 172.62 2wei n SER 146 N -4.02 0.02 -3.85 3.07 7.64 -1.26 -4.90 113.62 110.32 2wei n SER 146 Ca -0.02 0.01 -0.10 0.00 1.01 0.00 0.00 58.87 59.77 2wei n SER 146 Cb 0.35 1.50 -0.09 0.00 -1.01 0.00 0.00 64.21 64.97 2wei n SER 146 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2wei s SER 147 N -4.99 0.04 0.03 6.43 0.01 -1.23 -0.48 113.70 113.51 2wei s SER 147 Ca -0.09 -0.36 -0.05 0.00 1.31 0.00 0.00 55.95 56.76 2wei s SER 147 Cb 0.10 0.27 -0.05 0.00 0.21 0.00 0.00 66.02 66.56 2wei s SER 147 CO 0.87 -0.53 0.27 -0.36 0.41 0.00 0.00 173.24 173.90 2wei s PHE 148 N -2.42 3.56 -0.22 2.43 0.08 0.19 -1.34 117.98 120.26 2wei s PHE 148 Ca -0.06 0.52 0.01 0.00 0.12 0.00 0.00 56.93 57.52 2wei s PHE 148 Cb -0.02 -1.96 0.05 0.00 -0.57 0.00 0.00 43.02 40.52 2wei s PHE 148 CO -0.03 0.59 -0.08 0.71 -0.10 0.00 0.00 175.22 176.31 2wei s TYR 149 N -1.36 2.47 -0.28 0.36 1.51 0.44 -0.81 117.35 119.68 2wei s TYR 149 Ca 0.30 -1.71 -0.07 0.00 -1.01 0.00 0.00 57.07 54.58 2wei s TYR 149 Cb -0.13 -1.63 0.00 0.00 -0.11 0.00 0.00 41.96 40.09 2wei s TYR 149 CO 0.18 -0.77 0.06 0.42 -1.11 0.00 0.00 175.55 174.34 2wei s ILE 150 N 1.37 3.96 -0.17 2.71 1.01 -0.00 -0.82 121.20 129.26 2wei s ILE 150 Ca -0.04 -0.57 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 2wei s ILE 150 Cb -0.18 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 2wei s ILE 150 CO -0.07 0.17 0.03 -0.69 0.00 0.00 0.00 174.94 174.38 2wei s VAL 151 N 1.52 4.55 0.03 2.92 1.01 -0.09 -0.63 120.40 129.70 2wei s VAL 151 Ca 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 2wei s VAL 151 Cb -0.16 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2wei s VAL 151 CO 0.02 0.48 0.05 0.61 0.00 0.00 0.00 175.10 176.26 2wei n GLY 152 N 3.45 2.33 3.76 4.51 0.00 0.11 -0.26 105.19 119.09 2wei n GLY 152 Ca -0.17 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 2wei n GLY 152 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wei n GLU 153 N -0.04 2.61 -3.48 1.61 1.02 -0.81 -1.14 120.64 120.41 2wei n GLU 153 Ca -0.00 0.92 -0.37 0.00 -0.02 0.00 0.00 57.16 57.68 2wei n GLU 153 Cb 0.05 -2.64 -0.07 0.00 -0.02 0.00 0.00 31.44 28.76 2wei n GLU 153 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2wei s LEU 154 N -1.54 4.29 0.25 -4.62 2.96 -1.26 -4.33 118.68 114.44 2wei s LEU 154 Ca 0.56 0.66 0.11 0.00 -0.22 0.00 0.00 54.13 55.24 2wei s LEU 154 Cb -0.49 -2.49 -0.05 0.00 0.50 0.00 0.00 46.19 43.66 2wei s LEU 154 CO 0.60 0.12 -0.13 -0.31 -1.32 0.00 0.00 176.35 175.30 2wei s TYR 155 N 0.23 2.46 0.00 5.38 2.02 -1.26 -4.96 117.35 121.22 2wei s TYR 155 Ca 0.20 -0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.62 2wei s TYR 155 Cb -0.14 -1.11 0.00 0.00 -0.40 0.00 0.00 41.96 40.31 2wei s TYR 155 CO 0.07 0.64 0.52 0.25 -1.57 0.00 0.00 175.55 175.46 2wei n THR 156 N -0.50 0.25 1.28 -0.71 -2.24 -0.83 -4.84 114.28 106.68 2wei n THR 156 Ca -0.07 -0.30 0.13 0.00 -2.27 0.00 0.00 64.05 61.54 2wei n THR 156 Cb 0.59 1.07 0.42 0.00 -2.10 0.00 0.00 70.33 70.31 2wei n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wei n GLY 157 N -0.12 -0.65 6.86 3.38 0.00 -0.76 -4.33 105.19 109.56 2wei n GLY 157 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2wei n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wei n GLY 158 N 1.33 -2.03 3.82 -0.02 0.00 -1.26 -4.56 105.19 102.47 2wei n GLY 158 Ca 0.13 -1.43 -0.22 0.00 0.00 0.00 0.00 46.02 44.50 2wei n GLY 158 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wei s GLU 159 N 0.00 2.77 0.41 1.61 -1.05 -1.26 -0.48 118.70 120.69 2wei s GLU 159 Ca 0.00 -1.21 0.10 0.00 -0.15 0.00 0.00 54.97 53.71 2wei s GLU 159 Cb 0.00 -2.48 0.91 0.00 -0.44 0.00 0.00 34.13 32.12 2wei s GLU 159 CO 0.00 0.25 1.99 1.25 0.95 0.00 0.00 175.26 179.70 2wei h LEU 160 N 1.42 0.48 -0.87 1.83 5.85 -0.43 -2.19 115.31 121.40 2wei h LEU 160 Ca -0.46 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.17 2wei h LEU 160 Cb 1.25 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 2wei h LEU 160 CO 0.60 0.31 -0.09 0.15 -0.34 0.00 0.00 178.44 179.07 2wei h PHE 161 N 0.54 0.81 -0.90 1.25 3.57 -1.83 -0.27 116.94 120.10 2wei h PHE 161 Ca 0.26 -0.14 0.15 0.00 3.53 0.00 0.00 57.97 61.78 2wei h PHE 161 Cb 0.33 -0.21 -0.10 0.00 2.79 0.00 0.00 35.95 38.77 2wei h PHE 161 CO -0.00 0.80 0.50 -0.44 -2.23 0.00 0.00 178.31 176.94 2wei h ASP 162 N 0.68 0.64 0.45 0.41 3.45 -1.75 -0.23 116.42 120.06 2wei h ASP 162 Ca 0.12 0.09 -0.16 0.00 0.43 0.00 0.00 57.03 57.51 2wei h ASP 162 Cb 0.55 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.28 2wei h ASP 162 CO 0.03 0.27 -0.68 -0.08 -1.57 0.00 0.00 179.24 177.22 2wei h GLU 163 N 0.71 0.20 -0.27 3.56 4.57 -1.09 -1.91 114.58 120.35 2wei h GLU 163 Ca 0.49 -0.16 -0.02 0.00 -1.18 0.00 0.00 59.36 58.49 2wei h GLU 163 Cb 0.68 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 2wei h GLU 163 CO -0.35 0.80 0.08 0.82 -1.18 0.00 0.00 179.01 179.18 2wei h ILE 164 N 0.14 1.20 -0.81 2.32 2.04 -0.36 -1.11 117.51 120.93 2wei h ILE 164 Ca -0.02 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 65.26 2wei h ILE 164 Cb 1.21 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 38.36 2wei h ILE 164 CO 0.10 0.21 0.49 0.40 0.00 0.00 0.00 178.15 179.35 2wei h ILE 165 N 0.26 1.01 0.02 -0.67 2.04 -0.89 0.16 117.51 119.45 2wei h ILE 165 Ca 0.08 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 2wei h ILE 165 Cb 0.25 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 2wei h ILE 165 CO -0.00 0.16 -0.01 0.50 0.00 0.00 0.00 178.15 178.80 2wei h LYS 166 N 0.88 -0.03 0.00 2.37 3.64 -1.23 -3.36 116.57 118.84 2wei h LYS 166 Ca 0.36 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.58 2wei h LYS 166 Cb 0.20 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 2wei h LYS 166 CO -0.18 0.36 -1.47 0.54 -2.27 0.00 0.00 179.45 176.42 2wei n ARG 167 N -4.92 0.63 0.00 1.90 1.74 -0.43 -4.98 116.66 110.59 2wei n ARG 167 Ca -0.08 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2wei n ARG 167 Cb 0.21 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 29.87 2wei n ARG 167 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wei n LYS 168 N -2.83 0.00 -3.89 5.56 4.76 0.55 -4.74 118.16 117.57 2wei n LYS 168 Ca -0.10 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.24 2wei n LYS 168 Cb 0.82 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.91 2wei n LYS 168 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2wei s ARG 169 N 0.00 0.52 -0.01 1.97 0.52 -1.26 -4.12 118.95 116.57 2wei s ARG 169 Ca 0.00 -0.53 0.05 0.00 -0.52 0.00 0.00 55.73 54.73 2wei s ARG 169 Cb 0.00 0.21 -0.03 0.00 0.52 0.00 0.00 34.95 35.65 2wei s ARG 169 CO 0.00 -0.13 -0.16 -0.06 0.02 0.00 0.00 175.30 174.97 2wei s PHE 170 N -1.83 2.63 0.95 -0.53 0.40 0.14 -5.05 117.98 114.69 2wei s PHE 170 Ca -0.11 -0.21 -0.11 0.00 -0.60 0.00 0.00 56.93 55.89 2wei s PHE 170 Cb -0.05 -1.56 0.16 0.00 0.51 0.00 0.00 43.02 42.08 2wei s PHE 170 CO -0.01 0.20 1.10 -1.54 0.70 0.00 0.00 175.22 175.67 2wei s SER 171 N -0.99 2.77 0.34 1.36 1.04 -1.26 -4.53 113.70 112.43 2wei s SER 171 Ca 0.13 1.86 0.01 0.00 0.48 0.00 0.00 55.95 58.42 2wei s SER 171 Cb -0.11 -2.43 0.58 0.00 0.10 0.00 0.00 66.02 64.17 2wei s SER 171 CO 0.02 -3.14 1.99 -0.33 0.98 0.00 0.00 173.24 172.77 2wei h GLU 172 N -1.89 0.89 -0.00 4.02 5.08 -1.96 -0.36 114.58 120.36 2wei h GLU 172 Ca -0.49 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2wei h GLU 172 Cb 1.28 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 2wei h GLU 172 CO 0.47 0.60 0.00 1.25 -1.00 0.00 0.00 179.01 180.33 2wei h HIS 173 N 0.91 0.00 -0.54 4.33 2.76 -1.99 -0.83 115.15 119.79 2wei h HIS 173 Ca 0.24 -0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.31 2wei h HIS 173 Cb -0.08 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 2wei h HIS 173 CO 0.00 0.09 -0.08 -0.44 -1.30 0.00 0.00 177.93 176.20 2wei h ASP 174 N -0.09 1.00 -0.71 3.26 3.32 -1.85 -2.27 116.42 119.08 2wei h ASP 174 Ca 0.00 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.64 2wei h ASP 174 Cb 0.09 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 2wei h ASP 174 CO -0.00 1.11 0.19 0.00 -1.72 0.00 0.00 179.24 178.81 2wei h ALA 175 N 0.93 0.98 -0.58 3.45 0.00 -1.01 -2.67 119.26 120.36 2wei h ALA 175 Ca 0.14 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2wei h ALA 175 Cb 0.64 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2wei h ALA 175 CO 0.04 0.66 0.03 0.00 0.00 0.00 0.00 179.25 179.99 2wei h ALA 176 N 1.12 0.96 -0.73 0.00 0.00 -0.97 0.34 119.26 119.98 2wei h ALA 176 Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wei h ALA 176 Cb 0.35 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2wei h ALA 176 CO -0.00 0.64 0.47 -0.09 0.00 0.00 0.00 179.25 180.27 2wei h ARG 177 N 0.91 0.97 0.03 0.00 2.43 -1.18 -0.63 114.38 116.90 2wei h ARG 177 Ca 0.17 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 2wei h ARG 177 Cb 0.48 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2wei h ARG 177 CO 0.02 0.66 -0.01 0.82 -1.51 0.00 0.00 179.97 179.95 2wei h ILE 178 N 1.00 1.39 -0.02 1.20 2.04 -1.19 -3.27 117.51 118.66 2wei h ILE 178 Ca 0.27 -1.38 -0.14 0.00 1.00 0.00 0.00 64.86 64.61 2wei h ILE 178 Cb -0.09 2.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 2wei h ILE 178 CO -0.06 0.35 -0.64 -0.29 0.00 0.00 0.00 178.15 177.51 2wei h ILE 179 N -0.64 1.44 -0.88 -0.67 6.09 -0.86 -2.35 117.51 119.64 2wei h ILE 179 Ca -0.00 -2.16 0.05 0.00 -1.37 0.00 0.00 64.86 61.38 2wei h ILE 179 Cb 0.59 2.15 -0.06 0.00 0.47 0.00 0.00 36.82 39.98 2wei h ILE 179 CO 0.01 0.62 0.55 0.50 -3.07 0.00 0.00 178.15 176.76 2wei h LYS 180 N 0.05 1.00 -0.64 2.19 3.64 -1.22 0.14 116.57 121.73 2wei h LYS 180 Ca -0.01 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2wei h LYS 180 Cb 1.14 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 2wei h LYS 180 CO 0.09 0.66 0.30 1.96 -2.27 0.00 0.00 179.45 180.20 2wei h GLN 181 N 1.03 0.92 -0.35 1.90 4.20 -1.47 0.56 115.11 121.90 2wei h GLN 181 Ca 0.37 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.97 2wei h GLN 181 Cb 0.12 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 2wei h GLN 181 CO -0.15 0.74 0.17 0.28 -0.67 0.00 0.00 178.83 179.20 2wei h VAL 182 N 0.88 0.98 -0.73 -0.54 2.07 -1.19 -1.40 116.25 116.32 2wei h VAL 182 Ca 0.22 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 2wei h VAL 182 Cb 0.12 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 2wei h VAL 182 CO -0.03 0.07 0.37 -0.26 0.02 0.00 0.00 177.57 177.74 2wei h PHE 183 N 0.36 1.02 -0.16 1.57 0.04 -0.30 -0.34 116.94 119.13 2wei h PHE 183 Ca 0.15 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.88 2wei h PHE 183 Cb 0.06 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.88 2wei h PHE 183 CO -0.10 0.74 0.10 1.03 -0.60 0.00 0.00 178.31 179.48 2wei h SER 184 N 1.01 0.20 -0.14 2.17 0.87 -0.60 -0.52 113.55 116.53 2wei h SER 184 Ca 0.25 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.77 2wei h SER 184 Cb 0.08 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2wei h SER 184 CO -0.04 0.20 0.04 1.23 -0.53 0.00 0.00 176.83 177.73 2wei h GLY 185 N 0.18 0.17 1.00 5.77 0.00 -1.00 -2.20 103.07 106.99 2wei h GLY 185 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2wei h GLY 185 CO -0.01 0.01 0.33 -2.22 0.00 0.00 0.00 176.54 174.65 2wei h ILE 186 N 0.11 1.14 -0.51 2.60 2.04 -0.90 -1.64 117.51 120.34 2wei h ILE 186 Ca 0.06 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.68 2wei h ILE 186 Cb 0.04 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 2wei h ILE 186 CO -0.07 0.13 0.30 0.74 0.00 0.00 0.00 178.15 179.25 2wei h THR 187 N 0.69 1.04 0.01 -0.27 2.02 -0.97 0.17 112.91 115.61 2wei h THR 187 Ca 0.19 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 2wei h THR 187 Cb -0.06 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2wei h THR 187 CO -0.04 0.11 -0.01 0.22 0.37 0.00 0.00 175.52 176.17 2wei h TYR 188 N 0.60 -0.01 -0.70 3.16 3.20 -1.10 -2.04 116.97 120.08 2wei h TYR 188 Ca 0.21 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.01 2wei h TYR 188 Cb 0.03 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 2wei h TYR 188 CO -0.07 -0.00 0.19 0.52 -1.64 0.00 0.00 178.16 177.16 2wei h MET 189 N -0.02 1.09 -0.40 1.82 2.86 -0.96 -2.68 114.93 116.64 2wei h MET 189 Ca -0.00 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 2wei h MET 189 Cb 0.02 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 2wei h MET 189 CO 0.00 0.95 0.15 0.45 1.06 0.00 0.00 176.91 179.52 2wei h HIS 190 N 1.05 0.56 -0.00 -0.22 3.86 -0.86 -1.10 115.15 118.44 2wei h HIS 190 Ca 0.22 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 2wei h HIS 190 Cb 0.33 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.62 2wei h HIS 190 CO 0.03 0.45 0.00 -0.22 0.86 0.00 0.00 177.93 179.05 2wei h LYS 191 N 0.57 0.00 -0.65 2.45 3.64 -1.02 -0.96 116.57 120.60 2wei h LYS 191 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2wei h LYS 191 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2wei h LYS 191 CO -0.01 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.89 2wei n HIS 192 N -4.39 1.63 -3.53 1.91 8.25 -0.51 -4.95 115.22 113.63 2wei n HIS 192 Ca -0.03 -0.58 -0.26 0.00 -0.26 0.00 0.00 57.72 56.59 2wei n HIS 192 Cb 0.09 -0.38 0.02 0.00 1.12 0.00 0.00 29.99 30.83 2wei n HIS 192 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2wei n ASN 193 N 0.65 -4.73 -4.64 0.41 3.02 -0.37 -4.99 115.26 104.61 2wei n ASN 193 Ca 0.23 -0.53 -0.35 0.00 -0.03 0.00 0.00 54.58 53.90 2wei n ASN 193 Cb 0.98 -3.83 -0.10 0.00 -0.61 0.00 0.00 39.78 36.22 2wei n ASN 193 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wei s ILE 194 N -3.14 4.56 -0.04 2.41 -1.09 -0.67 -5.00 121.20 118.22 2wei s ILE 194 Ca 0.50 -0.13 0.05 0.00 -2.23 0.00 0.00 60.65 58.84 2wei s ILE 194 Cb -0.25 -3.01 -0.02 0.00 -1.58 0.00 0.00 42.46 37.60 2wei s ILE 194 CO 0.61 0.51 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.98 2wei s VAL 195 N -0.02 2.85 -0.12 2.92 1.01 -1.26 -3.75 120.40 122.03 2wei s VAL 195 Ca 0.05 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 2wei s VAL 195 Cb -0.12 -2.10 -0.07 0.00 0.00 0.00 0.00 36.38 34.09 2wei s VAL 195 CO 0.01 0.58 0.16 -0.74 0.00 0.00 0.00 175.10 175.11 2wei h HIS 196 N 5.34 0.00 0.00 5.22 2.76 -1.93 -3.31 115.15 123.23 2wei h HIS 196 Ca -0.46 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 2wei h HIS 196 Cb 1.15 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.11 2wei h HIS 196 CO 0.48 0.29 0.00 -2.13 -1.30 0.00 0.00 177.93 175.26 2wei n ARG 197 N -4.71 0.00 -1.23 5.26 0.63 -1.26 -4.52 116.66 110.83 2wei n ARG 197 Ca -0.04 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.80 2wei n ARG 197 Cb 0.17 -0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.20 2wei n ARG 197 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2wei n ASP 198 N 1.05 3.24 -4.71 6.15 10.43 -1.26 -4.83 116.55 126.61 2wei n ASP 198 Ca 0.00 -3.83 -0.42 0.00 2.57 0.00 0.00 54.79 53.11 2wei n ASP 198 Cb 0.00 -0.47 -0.03 0.00 1.84 0.00 0.00 41.12 42.46 2wei n ASP 198 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 2wei s LEU 199 N -3.40 4.37 0.11 0.64 2.96 -1.26 -4.84 118.68 117.26 2wei s LEU 199 Ca 0.45 2.20 -0.25 0.00 -0.22 0.00 0.00 54.13 56.30 2wei s LEU 199 Cb 0.39 -3.58 0.08 0.00 0.50 0.00 0.00 46.19 43.57 2wei s LEU 199 CO -0.02 -0.57 0.79 -1.59 -1.32 0.00 0.00 176.35 173.63 2wei s LYS 200 N 1.07 1.15 0.51 1.98 -2.85 -1.26 -4.86 119.74 115.48 2wei s LYS 200 Ca 0.62 -0.50 0.17 0.00 -1.00 0.00 0.00 55.97 55.26 2wei s LYS 200 Cb -0.34 0.48 1.24 0.00 -2.06 0.00 0.00 37.83 37.16 2wei s LYS 200 CO 0.30 -0.51 2.12 -1.35 0.10 0.00 0.00 175.35 176.01 2wei h PRO 201 N 2.00 0.00 0.00 1.78 0.11 -1.93 -0.78 132.00 133.18 2wei h PRO 201 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2wei h PRO 201 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2wei h PRO 201 CO 0.31 0.04 0.00 0.93 -0.21 0.00 0.00 178.00 179.08 2wei h GLU 202 N 0.00 0.00 -0.53 1.05 3.07 -1.95 -2.49 114.58 113.73 2wei h GLU 202 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2wei h GLU 202 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2wei h GLU 202 CO 0.01 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.71 2wei n ASN 203 N -3.04 5.38 -3.95 1.42 3.02 -0.30 -4.77 115.26 113.02 2wei n ASN 203 Ca -0.01 -2.91 -0.30 0.00 -0.03 0.00 0.00 54.58 51.33 2wei n ASN 203 Cb 0.21 -0.66 -0.15 0.00 -0.61 0.00 0.00 39.78 38.57 2wei n ASN 203 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wei s ILE 204 N -2.71 1.60 0.03 2.41 1.01 -0.96 -0.94 121.20 121.65 2wei s ILE 204 Ca 0.52 -1.32 0.01 0.00 0.00 0.00 0.00 60.65 59.87 2wei s ILE 204 Cb 0.40 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 2wei s ILE 204 CO 0.15 -0.14 0.10 -0.76 0.00 0.00 0.00 174.94 174.30 2wei s LEU 205 N 1.35 3.93 -0.08 2.97 1.02 0.25 -0.29 118.68 127.82 2wei s LEU 205 Ca -0.05 0.11 -0.24 0.00 0.02 0.00 0.00 54.13 53.97 2wei s LEU 205 Cb -0.19 -2.43 -0.03 0.00 0.02 0.00 0.00 46.19 43.56 2wei s LEU 205 CO -0.07 0.23 0.75 -0.76 0.02 0.00 0.00 176.35 176.52 2wei s LEU 206 N -2.06 4.29 0.27 1.79 1.02 0.37 0.19 118.68 124.56 2wei s LEU 206 Ca 0.27 1.23 -0.00 0.00 0.02 0.00 0.00 54.13 55.64 2wei s LEU 206 Cb -0.12 -3.16 0.51 0.00 0.02 0.00 0.00 46.19 43.43 2wei s LEU 206 CO 0.18 -0.19 1.84 -0.08 0.02 0.00 0.00 176.35 178.13 2wei h GLU 207 N 6.89 0.98 0.00 1.70 4.81 -1.58 -2.02 114.58 125.36 2wei h GLU 207 Ca -0.39 -0.06 -0.23 0.00 -0.13 0.00 0.00 59.36 58.55 2wei h GLU 207 Cb 1.19 -0.22 -0.06 0.00 0.63 0.00 0.00 28.75 30.29 2wei h GLU 207 CO 0.77 0.65 -0.13 -1.13 -0.73 0.00 0.00 179.01 178.44 2wei n SER 208 N -4.61 -1.06 -0.24 1.04 3.41 -1.26 -1.97 113.62 108.92 2wei n SER 208 Ca 0.18 -2.53 0.14 0.00 -0.26 0.00 0.00 58.87 56.40 2wei n SER 208 Cb 0.31 2.00 0.59 0.00 -0.26 0.00 0.00 64.21 66.85 2wei n SER 208 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wei n LYS 209 N -0.47 1.08 -2.02 4.33 4.76 -1.26 -3.67 118.16 120.91 2wei n LYS 209 Ca 0.01 -0.48 -0.37 0.00 -2.87 0.00 0.00 58.31 54.59 2wei n LYS 209 Cb 0.47 -1.49 0.02 0.00 -1.84 0.00 0.00 35.03 32.19 2wei n LYS 209 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2wei s GLU 210 N -2.26 3.37 0.29 1.97 2.02 -1.26 -4.94 118.70 117.89 2wei s GLU 210 Ca 0.34 1.97 -0.30 0.00 0.02 0.00 0.00 54.97 57.00 2wei s GLU 210 Cb 0.20 -2.26 -0.12 0.00 0.10 0.00 0.00 34.13 32.05 2wei s GLU 210 CO 0.42 -0.93 1.51 1.17 0.02 0.00 0.00 175.26 177.45 2wei n LYS 211 N -0.90 2.48 -3.44 1.61 4.81 -1.26 -3.07 118.16 118.39 2wei n LYS 211 Ca 0.10 0.88 -0.25 0.00 -0.87 0.00 0.00 58.31 58.17 2wei n LYS 211 Cb 0.47 -2.61 0.04 0.00 0.02 0.00 0.00 35.03 32.95 2wei n LYS 211 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2wei n ASP 212 N 1.85 -5.62 -4.73 3.14 8.00 -1.26 -4.98 116.55 112.94 2wei n ASP 212 Ca 0.08 -0.48 -0.30 0.00 0.71 0.00 0.00 54.79 54.80 2wei n ASP 212 Cb 0.36 -4.50 0.13 0.00 -0.02 0.00 0.00 41.12 37.09 2wei n ASP 212 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wei s ASP 214 N -3.56 6.20 0.30 0.00 1.01 -1.26 -4.84 116.67 114.52 2wei s ASP 214 Ca 0.63 2.19 -0.03 0.00 0.71 0.00 0.00 52.55 56.05 2wei s ASP 214 Cb -0.17 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.12 2wei s ASP 214 CO 0.56 -0.89 0.55 0.27 0.21 0.00 0.00 175.17 175.87 2wei s ILE 215 N -1.66 5.06 -0.06 0.77 -5.25 -1.26 -1.48 121.20 117.31 2wei s ILE 215 Ca 0.65 -0.10 -0.02 0.00 -0.99 0.00 0.00 60.65 60.19 2wei s ILE 215 Cb -0.25 -3.77 0.03 0.00 2.95 0.00 0.00 42.46 41.42 2wei s ILE 215 CO 0.30 -0.39 0.02 -0.54 -1.79 0.00 0.00 174.94 172.54 2wei s LYS 216 N -3.77 0.41 0.09 0.37 -0.14 0.13 -4.39 119.74 112.44 2wei s LYS 216 Ca 0.43 0.18 -0.30 0.00 -1.36 0.00 0.00 55.97 54.92 2wei s LYS 216 Cb -0.10 -0.84 -0.05 0.00 -1.68 0.00 0.00 37.83 35.15 2wei s LYS 216 CO 0.32 -0.31 1.01 0.42 -0.76 0.00 0.00 175.35 176.03 2wei s ILE 217 N 2.03 4.42 0.21 2.17 1.01 0.12 -0.58 121.20 130.58 2wei s ILE 217 Ca 0.05 1.93 0.09 0.00 0.00 0.00 0.00 60.65 62.72 2wei s ILE 217 Cb -0.12 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 2wei s ILE 217 CO -0.05 0.26 -0.04 0.27 0.00 0.00 0.00 174.94 175.38 2wei s ILE 218 N 0.27 3.40 -0.84 2.92 -4.36 -0.12 -1.55 121.20 120.93 2wei s ILE 218 Ca 0.50 -1.71 0.00 0.00 -0.26 0.00 0.00 60.65 59.18 2wei s ILE 218 Cb -0.24 -2.74 0.00 0.00 1.25 0.00 0.00 42.46 40.73 2wei s ILE 218 CO 0.30 -0.21 0.00 0.47 0.24 0.00 0.00 174.94 175.74 2wei n ASP 219 N -0.35 -4.65 -4.58 4.36 10.43 -1.26 -4.87 116.55 115.64 2wei n ASP 219 Ca -0.09 0.19 -0.42 0.00 2.57 0.00 0.00 54.79 57.05 2wei n ASP 219 Cb 0.57 -2.84 -0.03 0.00 1.84 0.00 0.00 41.12 40.66 2wei n ASP 219 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 2wei s PHE 220 N -2.06 2.14 0.00 1.24 2.19 -1.26 -1.84 117.98 118.38 2wei s PHE 220 Ca 0.00 0.60 0.00 0.00 0.33 0.00 0.00 56.93 57.86 2wei s PHE 220 Cb 0.00 -4.28 0.00 0.00 -1.31 0.00 0.00 43.02 37.43 2wei s PHE 220 CO 0.00 -2.21 0.00 0.41 1.83 0.00 0.00 175.22 175.25 2wei n GLY 221 N 5.30 0.59 0.00 13.12 0.00 -1.25 -4.98 105.19 117.97 2wei n GLY 221 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 2wei n GLY 221 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wei n LEU 222 N 0.00 0.00 0.23 0.99 4.77 -0.77 -3.93 117.00 118.29 2wei n LEU 222 Ca 0.00 0.49 0.15 0.00 -0.03 0.00 0.00 56.01 56.62 2wei n LEU 222 Cb 0.00 -0.50 0.49 0.00 -2.33 0.00 0.00 43.42 41.09 2wei n LEU 222 CO 0.00 0.00 0.92 0.77 -1.33 0.00 0.00 177.39 177.75 2wei h SER 223 N 0.00 0.00 0.92 -1.43 4.64 -1.79 -1.87 113.55 114.02 2wei h SER 223 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2wei h SER 223 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2wei h SER 223 CO 0.00 0.00 -0.09 0.71 -0.87 0.00 0.00 176.83 176.58 2wei h THR 224 N 0.00 0.25 0.00 2.95 1.35 -1.91 -3.35 112.91 112.20 2wei h THR 224 Ca 0.00 -0.74 -0.32 0.00 -0.55 0.00 0.00 66.41 64.81 2wei h THR 224 Cb 0.64 1.59 -0.06 0.00 -1.73 0.00 0.00 68.15 68.59 2wei h THR 224 CO 0.00 0.09 -2.20 0.00 -0.25 0.00 0.00 175.52 173.16 2wei s PHE 226 N -2.42 1.22 0.13 0.00 0.08 -0.85 -0.12 117.98 116.02 2wei s PHE 226 Ca -0.21 -0.28 -0.04 0.00 0.12 0.00 0.00 56.93 56.52 2wei s PHE 226 Cb 0.07 -0.76 -0.05 0.00 -0.57 0.00 0.00 43.02 41.70 2wei s PHE 226 CO 0.57 0.00 0.36 1.14 -0.10 0.00 0.00 175.22 177.18 2wei s GLN 227 N -0.64 3.60 0.95 0.44 -2.07 0.03 -4.68 119.66 117.29 2wei s GLN 227 Ca 0.04 -0.13 -0.10 0.00 -1.82 0.00 0.00 55.36 53.35 2wei s GLN 227 Cb -0.06 -2.88 0.16 0.00 -1.09 0.00 0.00 33.01 29.14 2wei s GLN 227 CO 0.00 0.49 1.09 1.04 -1.32 0.00 0.00 175.29 176.59 2wei n GLN 228 N 0.14 -0.66 -1.56 9.60 1.13 -1.26 -4.60 117.38 120.17 2wei n GLN 228 Ca -0.03 -0.13 -0.42 0.00 -1.94 0.00 0.00 57.00 54.48 2wei n GLN 228 Cb 0.52 -2.33 0.01 0.00 0.11 0.00 0.00 30.24 28.55 2wei n GLN 228 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2wei n ASN 229 N -4.15 0.63 0.40 1.08 3.02 -1.26 -4.87 115.26 110.10 2wei n ASN 229 Ca 0.11 1.02 -0.18 0.00 -0.03 0.00 0.00 54.58 55.49 2wei n ASN 229 Cb 0.52 -1.27 -0.09 0.00 -0.61 0.00 0.00 39.78 38.33 2wei n ASN 229 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2wei h THR 230 N 1.36 0.26 -3.12 3.41 1.35 -1.97 -3.34 112.91 110.86 2wei h THR 230 Ca -0.42 0.00 -0.67 0.00 -0.55 0.00 0.00 66.41 64.77 2wei h THR 230 Cb 1.36 0.26 -0.17 0.00 -1.73 0.00 0.00 68.15 67.87 2wei h THR 230 CO 0.56 0.00 0.21 -0.54 -0.25 0.00 0.00 175.52 175.50 2wei s LYS 231 N -6.04 3.15 0.33 4.72 3.01 -1.26 -5.06 119.74 118.58 2wei s LYS 231 Ca -0.18 -0.83 -0.12 0.00 -1.01 0.00 0.00 55.97 53.82 2wei s LYS 231 Cb 0.03 -4.13 -0.08 0.00 -1.01 0.00 0.00 37.83 32.64 2wei s LYS 231 CO 0.62 -1.39 0.70 -1.64 0.51 0.00 0.00 175.35 174.15 2wei s MET 232 N 3.05 3.89 0.15 1.68 1.00 -1.26 -5.01 119.30 122.81 2wei s MET 232 Ca 0.18 0.51 0.09 0.00 0.00 0.00 0.00 55.69 56.47 2wei s MET 232 Cb -0.18 -2.47 -0.15 0.00 0.00 0.00 0.00 34.83 32.02 2wei s MET 232 CO 0.12 0.14 1.31 1.57 0.00 0.00 0.00 175.02 178.16 2wei h LYS 233 N 2.02 0.00 -1.18 2.03 2.10 -1.95 -3.40 116.57 116.18 2wei h LYS 233 Ca -0.47 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 57.82 2wei h LYS 233 Cb 1.18 0.00 -0.25 0.00 -0.90 0.00 0.00 32.23 32.26 2wei h LYS 233 CO 0.66 0.89 -0.73 -3.47 -2.00 0.00 0.00 179.45 174.80 2wei n ASP 234 N -3.32 -1.87 -0.19 7.07 2.03 -1.26 -5.03 116.55 113.98 2wei n ASP 234 Ca 0.00 -2.88 -0.06 0.00 0.52 0.00 0.00 54.79 52.37 2wei n ASP 234 Cb 0.90 0.78 0.03 0.00 -0.72 0.00 0.00 41.12 42.11 2wei n ASP 234 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2wei h ARG 235 N 4.58 0.72 -0.79 -0.67 2.43 -2.01 -2.69 114.38 115.94 2wei h ARG 235 Ca 0.04 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2wei h ARG 235 Cb 0.99 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.35 2wei h ARG 235 CO 0.28 0.47 0.34 0.82 -1.51 0.00 0.00 179.97 180.38 2wei h ILE 236 N 0.74 1.26 -0.21 1.20 2.04 -1.98 -2.48 117.51 118.07 2wei h ILE 236 Ca 0.20 -0.77 0.06 0.00 1.00 0.00 0.00 64.86 65.35 2wei h ILE 236 Cb -0.08 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 2wei h ILE 236 CO -0.05 0.32 0.22 1.23 0.00 0.00 0.00 178.15 179.87 2wei h GLY 237 N 1.16 0.00 2.00 5.37 0.00 -1.90 -2.49 103.07 107.21 2wei h GLY 237 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.46 2wei h GLY 237 CO -0.03 0.00 -0.64 -0.91 0.00 0.00 0.00 176.54 174.96 2wei h THR 238 N 0.00 1.35 0.00 4.70 1.35 -1.40 -3.27 112.91 115.64 2wei h THR 238 Ca 0.10 -2.28 -0.01 0.00 -0.55 0.00 0.00 66.41 63.68 2wei h THR 238 Cb 0.53 2.26 -0.00 0.00 -1.73 0.00 0.00 68.15 69.21 2wei h THR 238 CO -0.00 0.63 -0.03 0.00 -0.25 0.00 0.00 175.52 175.86 2wei h ALA 239 N 1.36 1.90 -0.10 6.62 0.00 -1.54 -2.93 119.26 124.57 2wei h ALA 239 Ca -0.01 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2wei h ALA 239 Cb 1.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2wei h ALA 239 CO 0.08 0.04 0.07 1.88 0.00 0.00 0.00 179.25 181.33 2wei h TYR 240 N 0.00 0.00 0.00 0.00 -1.99 -1.70 -3.28 116.97 109.99 2wei h TYR 240 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2wei h TYR 240 Cb 0.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.79 2wei h TYR 240 CO 0.00 0.00 -0.77 0.66 -0.00 0.00 0.00 178.16 178.05 2wei n TYR 241 N -4.47 0.00 -2.38 4.88 4.01 -1.11 -4.80 117.16 113.30 2wei n TYR 241 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 2wei n TYR 241 Cb 0.19 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.13 2wei n TYR 241 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2wei s ILE 242 N -2.30 3.63 0.37 -0.72 1.01 -1.24 -4.09 121.20 117.87 2wei s ILE 242 Ca 0.03 1.34 -0.26 0.00 0.00 0.00 0.00 60.65 61.76 2wei s ILE 242 Cb 0.09 -3.85 -0.09 0.00 0.01 0.00 0.00 42.46 38.62 2wei s ILE 242 CO 0.51 0.19 1.09 0.00 0.00 0.00 0.00 174.94 176.73 2wei s ALA 243 N 0.14 3.18 0.26 9.38 0.00 -1.26 -4.95 121.76 128.52 2wei s ALA 243 Ca 0.54 0.81 -0.01 0.00 0.00 0.00 0.00 51.96 53.30 2wei s ALA 243 Cb -0.32 -3.31 0.49 0.00 0.00 0.00 0.00 23.12 19.98 2wei s ALA 243 CO 0.35 -0.28 1.81 -1.35 0.00 0.00 0.00 175.76 176.30 2wei h PRO 244 N 2.87 0.81 0.00 0.00 0.11 -1.91 -1.31 132.00 132.57 2wei h PRO 244 Ca -0.48 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 2wei h PRO 244 Cb 1.22 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2wei h PRO 244 CO 0.63 0.54 -0.23 1.05 -0.21 0.00 0.00 178.00 179.78 2wei h GLU 245 N 0.84 0.00 -0.38 1.05 9.09 -1.89 -2.42 114.58 120.87 2wei h GLU 245 Ca 0.45 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.83 2wei h GLU 245 Cb 0.49 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.57 2wei h GLU 245 CO -0.28 0.23 0.10 0.28 0.05 0.00 0.00 179.01 179.39 2wei h VAL 246 N 0.00 1.22 -0.44 -1.06 2.07 -1.48 -1.80 116.25 114.77 2wei h VAL 246 Ca -0.00 -0.76 0.07 0.00 0.82 0.00 0.00 66.70 66.83 2wei h VAL 246 Cb 0.51 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2wei h VAL 246 CO 0.03 0.26 0.30 -0.07 0.02 0.00 0.00 177.57 178.11 2wei h LEU 247 N 0.47 0.28 -0.01 2.57 3.38 -1.09 -0.86 115.31 120.05 2wei h LEU 247 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2wei h LEU 247 Cb 0.30 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2wei h LEU 247 CO 0.00 0.18 -0.06 0.54 0.09 0.00 0.00 178.44 179.19 2wei n ARG 248 N -4.47 0.11 -0.50 1.13 1.74 -0.97 -4.93 116.66 108.76 2wei n ARG 248 Ca 0.06 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2wei n ARG 248 Cb 0.28 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 2wei n ARG 248 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wei n GLY 249 N 1.45 0.71 2.48 -0.13 0.00 -0.33 -5.03 105.19 104.34 2wei n GLY 249 Ca 0.08 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 2wei n GLY 249 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wei s THR 250 N -2.00 0.43 0.21 2.61 -4.23 -0.72 -5.03 115.64 106.91 2wei s THR 250 Ca 0.00 -2.22 0.11 0.00 -1.18 0.00 0.00 61.69 58.40 2wei s THR 250 Cb 0.00 -1.31 -0.04 0.00 1.34 0.00 0.00 72.50 72.48 2wei s THR 250 CO 0.00 -1.07 -0.18 -0.72 -0.54 0.00 0.00 174.62 172.11 2wei s TYR 251 N 0.55 2.42 0.00 3.99 1.13 -1.26 -4.50 117.35 119.68 2wei s TYR 251 Ca 0.24 -0.31 0.00 0.00 -1.41 0.00 0.00 57.07 55.59 2wei s TYR 251 Cb -0.13 -1.15 0.00 0.00 -1.10 0.00 0.00 41.96 39.58 2wei s TYR 251 CO -0.07 0.56 0.00 -0.40 -2.51 0.00 0.00 175.55 173.12 2wei n ASP 252 N -0.06 0.00 0.30 -0.18 5.68 -1.26 -5.05 116.55 115.98 2wei n ASP 252 Ca -0.10 -0.77 0.17 0.00 -0.50 0.00 0.00 54.79 53.58 2wei n ASP 252 Cb 0.57 0.00 0.96 0.00 -1.14 0.00 0.00 41.12 41.51 2wei n ASP 252 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2wei h GLU 253 N 0.00 0.00 0.00 0.11 9.09 -1.99 -2.78 114.58 119.02 2wei h GLU 253 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 2wei h GLU 253 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2wei h GLU 253 CO 0.00 0.00 -0.01 0.87 0.05 0.00 0.00 179.01 179.92 2wei h LYS 254 N 0.00 0.00 0.00 1.06 1.79 -1.94 -1.64 116.57 115.84 2wei h LYS 254 Ca 0.01 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2wei h LYS 254 Cb 0.06 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 2wei h LYS 254 CO -0.00 0.01 -0.10 0.00 -1.08 0.00 0.00 179.45 178.28 2wei h ASP 256 N 0.00 0.17 -0.35 0.00 3.32 -1.54 -1.96 116.42 116.07 2wei h ASP 256 Ca -0.00 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 2wei h ASP 256 Cb 0.21 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2wei h ASP 256 CO 0.01 0.85 0.14 0.58 -1.72 0.00 0.00 179.24 179.10 2wei h VAL 257 N 0.09 1.18 -0.05 -1.35 2.07 -1.51 -1.36 116.25 115.32 2wei h VAL 257 Ca -0.02 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 66.97 2wei h VAL 257 Cb 1.30 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 2wei h VAL 257 CO 0.11 0.20 -0.14 -0.25 0.02 0.00 0.00 177.57 177.50 2wei h TRP 258 N 0.42 -0.37 -0.86 1.57 2.91 -1.38 -0.45 115.95 117.78 2wei h TRP 258 Ca 0.12 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.16 2wei h TRP 258 Cb 0.18 0.17 -0.04 0.00 -0.51 0.00 0.00 29.16 28.95 2wei h TRP 258 CO -0.01 -0.21 0.57 0.77 -1.03 0.00 0.00 178.44 178.54 2wei h SER 259 N -0.22 0.99 -0.04 2.65 0.02 -1.24 -0.46 113.55 115.24 2wei h SER 259 Ca 0.06 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.94 2wei h SER 259 Cb 0.30 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2wei h SER 259 CO -0.18 0.71 -0.10 0.00 -1.14 0.00 0.00 176.83 176.13 2wei h ALA 260 N 1.32 1.46 -0.49 3.77 0.00 -0.97 -1.76 119.26 122.59 2wei h ALA 260 Ca 0.32 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 2wei h ALA 260 Cb -0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2wei h ALA 260 CO -0.07 0.38 -0.09 0.78 0.00 0.00 0.00 179.25 180.25 2wei h GLY 261 N 0.77 1.00 0.95 0.00 0.00 0.42 -0.69 103.07 105.52 2wei h GLY 261 Ca 0.06 -0.81 -0.03 0.00 0.00 0.00 0.00 47.33 46.56 2wei h GLY 261 CO 0.02 0.74 0.16 -2.08 0.00 0.00 0.00 176.54 175.37 2wei h VAL 262 N 0.78 1.21 -0.51 4.60 2.07 -0.78 -1.46 116.25 122.16 2wei h VAL 262 Ca 0.13 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.01 2wei h VAL 262 Cb 0.63 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 2wei h VAL 262 CO 0.04 0.25 0.29 0.40 0.02 0.00 0.00 177.57 178.56 2wei h ILE 263 N 0.57 1.01 -0.74 4.57 2.04 -1.09 -1.63 117.51 122.24 2wei h ILE 263 Ca 0.14 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 2wei h ILE 263 Cb 0.23 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 2wei h ILE 263 CO -0.01 0.10 0.26 0.25 0.00 0.00 0.00 178.15 178.75 2wei h LEU 264 N 0.56 1.06 -0.51 1.44 5.85 -0.93 0.19 115.31 122.97 2wei h LEU 264 Ca 0.21 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2wei h LEU 264 Cb 0.07 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 2wei h LEU 264 CO -0.12 0.97 0.27 0.22 -0.34 0.00 0.00 178.44 179.44 2wei h TYR 265 N 1.09 0.50 -0.53 1.25 3.20 -1.01 -1.86 116.97 119.60 2wei h TYR 265 Ca 0.24 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.02 2wei h TYR 265 Cb 0.27 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 2wei h TYR 265 CO 0.02 0.25 -0.12 0.82 -1.64 0.00 0.00 178.16 177.49 2wei h ILE 266 N 0.53 1.27 -0.93 1.81 2.04 -0.79 -1.44 117.51 120.00 2wei h ILE 266 Ca 0.22 -1.28 0.03 0.00 1.00 0.00 0.00 64.86 64.83 2wei h ILE 266 Cb 0.11 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 2wei h ILE 266 CO -0.14 0.45 0.61 -0.07 0.00 0.00 0.00 178.15 178.99 2wei h LEU 267 N 0.89 1.02 0.20 1.44 3.38 -0.44 0.10 115.31 121.90 2wei h LEU 267 Ca 0.13 -0.01 -0.33 0.00 0.09 0.00 0.00 57.88 57.76 2wei h LEU 267 Cb 0.69 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 41.23 2wei h LEU 267 CO 0.05 0.71 -1.54 -0.07 0.09 0.00 0.00 178.44 177.67 2wei h LEU 268 N 1.19 0.65 0.00 1.67 3.38 -1.29 0.44 115.31 121.35 2wei h LEU 268 Ca 0.36 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2wei h LEU 268 Cb -0.03 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.51 2wei h LEU 268 CO -0.11 1.65 -1.82 -1.54 0.09 0.00 0.00 178.44 176.71 2wei n SER 269 N -3.61 0.55 0.00 -0.43 3.41 -0.55 -4.60 113.62 108.39 2wei n SER 269 Ca -0.18 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 2wei n SER 269 Cb 1.08 1.83 0.00 0.00 -0.26 0.00 0.00 64.21 66.85 2wei n SER 269 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wei n GLY 270 N 1.39 0.54 2.99 5.00 0.00 0.36 -4.95 105.19 110.52 2wei n GLY 270 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 2wei n GLY 270 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wei s THR 271 N -2.25 0.19 0.41 2.61 -4.23 -1.26 -5.01 115.64 106.10 2wei s THR 271 Ca 0.00 -0.88 -0.22 0.00 -1.18 0.00 0.00 61.69 59.41 2wei s THR 271 Cb 0.00 -0.31 -0.11 0.00 1.34 0.00 0.00 72.50 73.42 2wei s THR 271 CO 0.00 -0.44 0.96 -2.16 -0.54 0.00 0.00 174.62 172.44 2wei s PRO 272 N -1.38 4.29 0.22 3.99 0.04 -1.26 -3.99 135.00 136.91 2wei s PRO 272 Ca -0.14 1.20 -0.01 0.00 0.04 0.00 0.00 61.00 62.09 2wei s PRO 272 Cb -0.09 -2.34 0.21 0.00 0.04 0.00 0.00 34.50 32.32 2wei s PRO 272 CO -0.01 0.02 1.58 -1.00 0.04 0.00 0.00 177.00 177.63 2wei h PRO 273 N 2.22 0.52 -4.81 0.56 0.13 -1.92 -3.39 132.00 125.31 2wei h PRO 273 Ca -0.48 -0.28 -0.68 0.00 -0.87 0.00 0.00 66.00 63.68 2wei h PRO 273 Cb 1.19 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 32.01 2wei h PRO 273 CO 0.62 0.87 -0.71 -0.06 -0.23 0.00 0.00 178.00 178.49 2wei s PHE 274 N -4.15 3.19 0.42 1.56 0.40 -1.26 -4.73 117.98 113.41 2wei s PHE 274 Ca -0.07 -1.71 0.04 0.00 -0.60 0.00 0.00 56.93 54.59 2wei s PHE 274 Cb 0.12 -2.10 -0.04 0.00 0.51 0.00 0.00 43.02 41.51 2wei s PHE 274 CO 0.82 -0.76 0.06 1.52 0.70 0.00 0.00 175.22 177.56 2wei s TYR 275 N 1.29 1.96 0.00 0.36 -0.85 -1.26 -4.79 117.35 114.06 2wei s TYR 275 Ca -0.03 -1.02 0.00 0.00 -0.52 0.00 0.00 57.07 55.50 2wei s TYR 275 Cb -0.19 -1.41 0.00 0.00 0.38 0.00 0.00 41.96 40.75 2wei s TYR 275 CO -0.02 0.04 0.00 0.41 -1.52 0.00 0.00 175.55 174.46 2wei n GLY 276 N -0.96 2.45 0.05 5.49 0.00 -1.26 -3.92 105.19 107.03 2wei n GLY 276 Ca -0.08 -1.14 0.13 0.00 0.00 0.00 0.00 46.02 44.92 2wei n GLY 276 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wei n LYS 277 N -1.14 0.20 -3.88 1.61 5.02 -1.26 -4.79 118.16 113.93 2wei n LYS 277 Ca 0.00 -0.10 -0.08 0.00 -2.02 0.00 0.00 58.31 56.11 2wei n LYS 277 Cb 0.00 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.49 2wei n LYS 277 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wei s ASN 278 N -2.86 -0.14 0.14 4.39 2.20 -1.26 -5.06 114.94 112.35 2wei s ASN 278 Ca 0.16 -0.79 -0.18 0.00 -0.94 0.00 0.00 52.86 51.11 2wei s ASN 278 Cb 0.18 0.73 0.02 0.00 -2.00 0.00 0.00 41.25 40.18 2wei s ASN 278 CO 0.61 -1.37 1.74 -0.08 -2.94 0.00 0.00 177.10 175.06 2wei h GLU 279 N 2.05 0.20 -0.18 3.55 4.81 -1.91 -2.24 114.58 120.86 2wei h GLU 279 Ca -0.23 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.04 2wei h GLU 279 Cb 1.25 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.53 2wei h GLU 279 CO 0.29 0.13 -0.16 -0.92 -0.73 0.00 0.00 179.01 177.62 2wei h TYR 280 N 0.20 -0.41 -0.87 0.92 3.20 -1.98 -0.29 116.97 117.74 2wei h TYR 280 Ca 0.13 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 2wei h TYR 280 Cb 0.12 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 2wei h TYR 280 CO -0.15 -0.23 0.51 -0.44 -1.64 0.00 0.00 178.16 176.21 2wei h ASP 281 N -0.18 1.05 -0.16 -2.11 3.32 -1.88 -0.19 116.42 116.27 2wei h ASP 281 Ca 0.11 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 2wei h ASP 281 Cb 0.35 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2wei h ASP 281 CO -0.28 0.81 0.04 0.40 -1.72 0.00 0.00 179.24 178.48 2wei h ILE 282 N 1.19 1.21 -0.25 0.35 2.04 -1.11 -2.92 117.51 118.01 2wei h ILE 282 Ca 0.31 -0.66 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 2wei h ILE 282 Cb -0.04 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2wei h ILE 282 CO -0.06 0.20 -0.13 -0.07 0.00 0.00 0.00 178.15 178.10 2wei h LEU 283 N 0.06 0.41 -1.27 1.44 3.38 -0.71 -1.58 115.31 117.04 2wei h LEU 283 Ca 0.05 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2wei h LEU 283 Cb 0.27 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2wei h LEU 283 CO 0.00 0.57 0.42 0.11 0.09 0.00 0.00 178.44 179.63 2wei h LYS 284 N 0.39 0.92 -0.15 1.13 1.79 -0.98 -0.66 116.57 119.02 2wei h LYS 284 Ca 0.08 -0.07 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 2wei h LYS 284 Cb 0.46 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 2wei h LYS 284 CO 0.03 0.63 -0.47 0.00 -1.08 0.00 0.00 179.45 178.56 2wei h ARG 285 N 0.94 0.58 -0.63 3.15 3.08 -1.17 -3.11 114.38 117.21 2wei h ARG 285 Ca 0.25 -0.43 0.05 0.00 0.07 0.00 0.00 59.98 59.92 2wei h ARG 285 Cb -0.06 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 2wei h ARG 285 CO -0.05 1.05 0.34 0.28 -1.07 0.00 0.00 179.97 180.52 2wei h VAL 286 N 0.22 0.97 -0.22 2.04 2.07 -1.02 -1.86 116.25 118.45 2wei h VAL 286 Ca -0.02 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 2wei h VAL 286 Cb 1.10 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2wei h VAL 286 CO 0.10 0.12 0.02 -0.08 0.02 0.00 0.00 177.57 177.75 2wei h GLU 287 N 0.64 0.32 0.00 1.57 4.81 -1.14 -1.28 114.58 119.50 2wei h GLU 287 Ca 0.28 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.26 2wei h GLU 287 Cb 0.17 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2wei h GLU 287 CO -0.18 0.33 -1.04 1.79 -0.73 0.00 0.00 179.01 179.19 2wei h THR 288 N 0.31 1.40 0.00 0.32 1.35 -1.43 -3.48 112.91 111.38 2wei h THR 288 Ca 0.07 -3.06 0.00 0.00 -0.55 0.00 0.00 66.41 62.88 2wei h THR 288 Cb 0.19 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 2wei h THR 288 CO 0.00 0.80 0.00 0.61 -0.25 0.00 0.00 175.52 176.68 2wei n GLY 289 N 1.36 0.80 3.71 5.82 0.00 -0.48 -5.01 105.19 111.39 2wei n GLY 289 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2wei n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wei s LYS 290 N -0.10 4.42 0.29 1.61 1.02 -1.25 -4.93 119.74 120.80 2wei s LYS 290 Ca 0.00 0.98 -0.07 0.00 0.02 0.00 0.00 55.97 56.90 2wei s LYS 290 Cb 0.00 -3.48 -0.00 0.00 -0.52 0.00 0.00 37.83 33.83 2wei s LYS 290 CO 0.00 -0.03 0.44 1.52 -0.92 0.00 0.00 175.35 176.36 2wei s TYR 291 N 1.11 0.75 0.16 3.18 -0.85 -1.26 -4.90 117.35 115.54 2wei s TYR 291 Ca 0.40 -1.05 -0.09 0.00 -0.52 0.00 0.00 57.07 55.81 2wei s TYR 291 Cb -0.18 0.00 -0.01 0.00 0.38 0.00 0.00 41.96 42.15 2wei s TYR 291 CO 0.18 -1.03 0.27 0.00 -1.52 0.00 0.00 175.55 173.45 2wei s ALA 292 N -3.57 0.03 -0.43 9.51 0.00 -1.26 -5.03 121.76 121.00 2wei s ALA 292 Ca 0.28 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.38 2wei s ALA 292 Cb 0.00 0.84 0.44 0.00 0.00 0.00 0.00 23.12 24.41 2wei s ALA 292 CO 0.14 -0.63 1.42 1.19 0.00 0.00 0.00 175.76 177.88 2wei n PHE 293 N -0.20 2.98 0.35 0.00 0.99 -1.26 -4.80 117.46 115.52 2wei n PHE 293 Ca -0.08 -2.55 0.12 0.00 -0.00 0.00 0.00 57.45 54.94 2wei n PHE 293 Cb 0.63 -0.60 0.08 0.00 -1.00 0.00 0.00 39.48 38.59 2wei n PHE 293 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 2wei h ASP 294 N 2.25 0.00 -4.04 4.37 3.32 -1.97 -3.44 116.42 116.91 2wei h ASP 294 Ca 0.42 -0.13 -0.56 0.00 0.02 0.00 0.00 57.03 56.79 2wei h ASP 294 Cb 1.19 0.00 0.15 0.00 0.22 0.00 0.00 39.33 40.89 2wei h ASP 294 CO 1.00 0.06 0.54 0.18 -1.72 0.00 0.00 179.24 179.30 2wei n LEU 295 N -2.38 5.69 0.06 1.55 4.32 -1.26 -4.86 117.00 120.12 2wei n LEU 295 Ca 0.02 0.90 0.20 0.00 -0.02 0.00 0.00 56.01 57.11 2wei n LEU 295 Cb 0.49 -1.56 0.73 0.00 -1.62 0.00 0.00 43.42 41.47 2wei n LEU 295 CO 0.38 -0.83 1.18 1.55 -1.22 0.00 0.00 177.39 178.45 2wei h PRO 296 N 0.97 0.00 -0.32 3.23 0.13 -2.02 -0.54 132.00 133.46 2wei h PRO 296 Ca -0.51 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.71 2wei h PRO 296 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 2wei h PRO 296 CO 0.55 0.00 0.29 1.96 -0.23 0.00 0.00 178.00 180.57 2wei h GLN 297 N 0.00 0.00 -0.01 0.86 7.50 -1.92 0.17 115.11 121.71 2wei h GLN 297 Ca 0.21 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.36 2wei h GLN 297 Cb 0.98 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.51 2wei h GLN 297 CO -0.00 0.00 -0.20 0.91 -1.50 0.00 0.00 178.83 178.04 2wei n TRP 298 N -3.98 0.00 -0.16 2.96 7.02 -0.21 -4.53 117.44 118.54 2wei n TRP 298 Ca 0.05 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.57 2wei n TRP 298 Cb 0.46 -0.12 0.34 0.00 -2.42 0.00 0.00 31.31 29.57 2wei n TRP 298 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 2wei h ARG 299 N 1.25 0.77 -0.10 -0.99 9.65 -1.04 -2.49 114.38 121.42 2wei h ARG 299 Ca 0.00 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2wei h ARG 299 Cb 0.48 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 2wei h ARG 299 CO 0.00 0.51 0.00 0.25 2.80 0.00 0.00 179.97 183.53 2wei n THR 300 N -4.46 1.21 -2.63 0.20 -2.24 -1.26 -5.01 114.28 100.08 2wei n THR 300 Ca 0.09 -1.23 -0.40 0.00 -2.27 0.00 0.00 64.05 60.23 2wei n THR 300 Cb 0.15 0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 68.67 2wei n THR 300 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2wei s ILE 301 N -1.38 3.82 0.61 2.28 -1.09 -0.94 -5.00 121.20 119.50 2wei s ILE 301 Ca 0.13 1.83 -0.19 0.00 -2.23 0.00 0.00 60.65 60.19 2wei s ILE 301 Cb 0.09 -4.16 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 2wei s ILE 301 CO 0.05 0.43 1.26 -0.94 -1.23 0.00 0.00 174.94 174.51 2wei s SER 302 N -1.06 4.98 0.41 3.58 1.04 -1.26 -4.90 113.70 116.48 2wei s SER 302 Ca 0.43 2.53 0.09 0.00 0.48 0.00 0.00 55.95 59.48 2wei s SER 302 Cb -0.28 -2.61 0.91 0.00 0.10 0.00 0.00 66.02 64.13 2wei s SER 302 CO 0.36 -1.75 2.01 0.44 0.98 0.00 0.00 173.24 175.28 2wei h ASP 303 N 0.84 0.46 -0.59 7.02 3.32 -1.98 -2.75 116.42 122.75 2wei h ASP 303 Ca -0.51 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.51 2wei h ASP 303 Cb 1.31 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 2wei h ASP 303 CO 0.55 0.31 0.25 0.44 -1.72 0.00 0.00 179.24 179.06 2wei h ASP 304 N 0.53 0.81 -0.43 6.45 3.32 -1.99 0.63 116.42 125.75 2wei h ASP 304 Ca 0.22 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2wei h ASP 304 Cb 0.22 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2wei h ASP 304 CO -0.06 0.75 0.28 0.00 -1.72 0.00 0.00 179.24 178.49 2wei h ALA 305 N 1.09 0.54 -0.65 3.45 0.00 -1.89 -1.96 119.26 119.85 2wei h ALA 305 Ca 0.20 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2wei h ALA 305 Cb 0.18 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2wei h ALA 305 CO -0.02 0.00 0.19 0.87 0.00 0.00 0.00 179.25 180.29 2wei h LYS 306 N 0.58 1.00 -0.39 0.00 1.57 -1.27 -1.63 116.57 116.43 2wei h LYS 306 Ca 0.16 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2wei h LYS 306 Cb -0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 2wei h LYS 306 CO -0.03 0.87 0.24 0.22 -0.57 0.00 0.00 179.45 180.18 2wei h ASP 307 N 0.96 0.40 -0.17 0.86 3.58 -0.56 -0.25 116.42 121.24 2wei h ASP 307 Ca 0.21 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 2wei h ASP 307 Cb 0.30 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 2wei h ASP 307 CO -0.01 0.29 0.10 0.25 -2.88 0.00 0.00 179.24 177.00 2wei h LEU 308 N 0.49 0.21 -0.76 2.28 5.85 -1.10 -1.75 115.31 120.54 2wei h LEU 308 Ca 0.15 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2wei h LEU 308 Cb -0.02 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2wei h LEU 308 CO -0.06 0.21 0.50 0.40 -0.34 0.00 0.00 178.44 179.16 2wei h ILE 309 N 0.19 1.19 -0.86 4.05 2.04 -1.10 -1.31 117.51 121.72 2wei h ILE 309 Ca 0.06 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.59 2wei h ILE 309 Cb 0.04 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.16 2wei h ILE 309 CO -0.01 0.19 0.56 0.03 0.00 0.00 0.00 178.15 178.92 2wei h ARG 310 N 1.02 1.10 -0.51 2.37 3.08 -0.76 0.53 114.38 121.21 2wei h ARG 310 Ca 0.28 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.17 2wei h ARG 310 Cb -0.11 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 29.67 2wei h ARG 310 CO -0.06 0.73 -0.04 0.87 -1.07 0.00 0.00 179.97 180.40 2wei h LYS 311 N 1.14 0.88 -0.11 0.04 1.57 -0.70 -2.76 116.57 116.63 2wei h LYS 311 Ca 0.32 -0.27 -0.19 0.00 -1.87 0.00 0.00 60.65 58.64 2wei h LYS 311 Cb -0.09 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 2wei h LYS 311 CO -0.08 0.91 -0.71 0.52 -0.57 0.00 0.00 179.45 179.52 2wei h MET 312 N 0.81 0.50 -0.97 3.15 2.86 -0.66 -3.10 114.93 117.51 2wei h MET 312 Ca 0.15 -0.39 -0.40 0.00 -2.06 0.00 0.00 59.70 56.99 2wei h MET 312 Cb 0.54 0.08 -0.24 0.00 0.06 0.00 0.00 31.60 32.04 2wei h MET 312 CO 0.03 1.02 0.51 1.28 1.06 0.00 0.00 176.91 180.81 2wei n LEU 313 N -3.87 6.06 -4.72 1.22 4.77 0.12 -3.76 117.00 116.82 2wei n LEU 313 Ca -0.05 -3.21 -0.42 0.00 -0.03 0.00 0.00 56.01 52.30 2wei n LEU 313 Cb 0.70 -0.78 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 2wei n LEU 313 CO 0.49 0.93 1.17 -0.89 -1.33 0.00 0.00 177.39 177.76 2wei s THR 314 N -2.74 2.91 0.03 -5.08 2.01 -1.05 -4.95 115.64 106.77 2wei s THR 314 Ca 0.48 0.64 -0.26 0.00 0.31 0.00 0.00 61.69 62.86 2wei s THR 314 Cb 0.40 -3.41 -0.17 0.00 0.01 0.00 0.00 72.50 69.32 2wei s THR 314 CO 0.10 0.05 1.43 0.15 -0.69 0.00 0.00 174.62 175.65 2wei h PHE 315 N 6.87 -0.25 -3.24 4.92 3.57 -1.91 -3.41 116.94 123.48 2wei h PHE 315 Ca -0.42 -0.01 -0.57 0.00 3.53 0.00 0.00 57.97 60.50 2wei h PHE 315 Cb 1.21 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.98 2wei h PHE 315 CO 0.66 0.02 0.55 -1.01 -2.23 0.00 0.00 178.31 176.30 2wei s HIS 316 N -5.17 3.47 0.40 0.41 3.76 -1.26 -4.85 115.29 112.04 2wei s HIS 316 Ca -0.15 1.49 0.20 0.00 -0.15 0.00 0.00 55.06 56.45 2wei s HIS 316 Cb 0.03 -3.15 1.10 0.00 1.11 0.00 0.00 32.58 31.67 2wei s HIS 316 CO 0.61 -0.26 1.97 -1.00 -0.85 0.00 0.00 174.74 175.21 2wei h PRO 317 N 7.20 0.00 0.00 8.40 0.13 -1.96 -1.39 132.00 144.38 2wei h PRO 317 Ca -0.29 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.82 2wei h PRO 317 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2wei h PRO 317 CO 0.87 0.21 -0.08 0.66 -0.23 0.00 0.00 178.00 179.43 2wei h SER 318 N 0.00 0.00 0.04 1.44 4.64 -1.95 -2.19 113.55 115.54 2wei h SER 318 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wei h SER 318 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2wei h SER 318 CO 0.03 0.08 -0.28 0.18 -0.87 0.00 0.00 176.83 175.97 2wei n LEU 319 N -3.75 1.94 -4.81 5.97 4.77 -0.54 -4.97 117.00 115.61 2wei n LEU 319 Ca -0.02 -0.66 -0.37 0.00 -0.03 0.00 0.00 56.01 54.93 2wei n LEU 319 Cb 0.18 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 2wei n LEU 319 CO 0.29 0.35 0.41 -0.60 -1.33 0.00 0.00 177.39 176.51 2wei s ARG 320 N -2.34 4.27 0.73 3.23 3.52 -0.82 -4.97 118.95 122.57 2wei s ARG 320 Ca 0.24 0.88 -0.14 0.00 -0.13 0.00 0.00 55.73 56.58 2wei s ARG 320 Cb 0.19 -2.94 0.04 0.00 -1.56 0.00 0.00 34.95 30.68 2wei s ARG 320 CO 0.48 0.43 1.17 0.96 -0.81 0.00 0.00 175.30 177.52 2wei s ILE 321 N -1.46 2.62 0.65 4.11 -4.36 -1.17 -5.03 121.20 116.55 2wei s ILE 321 Ca 0.41 0.28 -0.10 0.00 -0.26 0.00 0.00 60.65 60.99 2wei s ILE 321 Cb -0.17 -2.78 0.00 0.00 1.25 0.00 0.00 42.46 40.75 2wei s ILE 321 CO 0.21 -0.18 1.02 0.42 0.24 0.00 0.00 174.94 176.65 2wei s THR 322 N -2.20 3.84 0.20 8.37 -4.23 -1.26 -4.92 115.64 115.44 2wei s THR 322 Ca 0.71 0.42 -0.10 0.00 -1.18 0.00 0.00 61.69 61.54 2wei s THR 322 Cb -0.25 -3.57 0.14 0.00 1.34 0.00 0.00 72.50 70.16 2wei s THR 322 CO 0.46 -0.70 1.81 0.00 -0.54 0.00 0.00 174.62 175.65 2wei h ALA 323 N -0.43 0.96 -0.79 3.99 0.00 -1.95 -1.65 119.26 119.39 2wei h ALA 323 Ca -0.45 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.39 2wei h ALA 323 Cb 1.24 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 2wei h ALA 323 CO 0.63 0.50 0.48 1.15 0.00 0.00 0.00 179.25 182.00 2wei h THR 324 N 1.04 1.02 -0.35 0.00 2.02 -1.93 -2.29 112.91 112.41 2wei h THR 324 Ca 0.26 -0.30 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 2wei h THR 324 Cb 0.07 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 2wei h THR 324 CO -0.04 0.16 -0.12 1.56 0.37 0.00 0.00 175.52 177.45 2wei h GLN 325 N 0.87 0.61 -0.49 6.66 4.20 -1.82 -2.60 115.11 122.53 2wei h GLN 325 Ca 0.35 -0.19 0.05 0.00 0.06 0.00 0.00 58.65 58.92 2wei h GLN 325 Cb 0.18 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.85 2wei h GLN 325 CO -0.18 0.72 0.23 0.00 -0.67 0.00 0.00 178.83 178.93 2wei h LEU 327 N 0.45 0.17 -0.13 0.00 3.38 -1.08 -2.53 115.31 115.57 2wei h LEU 327 Ca 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2wei h LEU 327 Cb 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2wei h LEU 327 CO -0.17 0.24 -0.19 -0.62 0.09 0.00 0.00 178.44 177.79 2wei n GLU 328 N -4.38 0.36 -1.98 1.13 -0.58 -0.98 -4.62 120.64 109.59 2wei n GLU 328 Ca -0.01 -0.13 -0.40 0.00 -0.42 0.00 0.00 57.16 56.20 2wei n GLU 328 Cb 0.19 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.56 2wei n GLU 328 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2wei s HIS 329 N -2.73 2.76 0.38 -0.32 2.46 -0.88 -4.78 115.29 112.17 2wei s HIS 329 Ca 0.21 1.35 0.18 0.00 0.47 0.00 0.00 55.06 57.26 2wei s HIS 329 Cb 0.19 -3.77 1.11 0.00 -0.13 0.00 0.00 32.58 29.98 2wei s HIS 329 CO 0.55 -2.35 1.72 -1.35 -2.47 0.00 0.00 174.74 170.84 2wei h PRO 330 N 2.80 0.36 -0.54 2.88 0.11 -1.92 -1.71 132.00 133.99 2wei h PRO 330 Ca -0.50 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 2wei h PRO 330 Cb 1.24 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2wei h PRO 330 CO 0.63 0.24 0.25 2.35 -0.21 0.00 0.00 178.00 181.26 2wei h TRP 331 N 0.37 0.78 -0.45 0.65 7.01 -1.90 -0.28 115.95 122.13 2wei h TRP 331 Ca 0.66 -0.04 -0.11 0.00 2.11 0.00 0.00 58.89 61.51 2wei h TRP 331 Cb 1.66 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 28.46 2wei h TRP 331 CO -0.00 0.62 -0.17 0.82 -2.79 0.00 0.00 178.44 176.92 2wei h ILE 332 N 0.72 1.27 -0.27 2.65 1.08 -1.63 -3.14 117.51 118.19 2wei h ILE 332 Ca 0.18 -1.28 -0.10 0.00 -0.39 0.00 0.00 64.86 63.28 2wei h ILE 332 Cb 0.13 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.97 2wei h ILE 332 CO -0.02 0.44 -0.24 1.56 -0.69 0.00 0.00 178.15 179.20 2wei h GLN 333 N 0.76 0.52 -0.54 2.37 1.08 -1.05 -2.51 115.11 115.73 2wei h GLN 333 Ca 0.11 -0.19 0.09 0.00 -1.45 0.00 0.00 58.65 57.21 2wei h GLN 333 Cb 0.69 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.06 2wei h GLN 333 CO 0.05 0.72 0.37 -0.22 -0.95 0.00 0.00 178.83 178.80 2wei h LYS 334 N 0.46 0.32 -0.10 1.46 3.64 -1.00 -2.78 116.57 118.56 2wei h LYS 334 Ca 0.07 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2wei h LYS 334 Cb 0.67 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2wei h LYS 334 CO 0.05 0.21 0.00 0.66 -2.27 0.00 0.00 179.45 178.10 2wei n TYR 335 N -4.46 0.11 -2.82 1.91 4.01 -1.00 -5.00 117.16 109.92 2wei n TYR 335 Ca 0.09 -0.09 -0.33 0.00 -0.16 0.00 0.00 57.90 57.41 2wei n TYR 335 Cb 0.37 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.33 2wei n TYR 335 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2wei s SER 336 N -1.26 6.95 0.61 7.72 0.01 -0.98 -4.93 113.70 121.81 2wei s SER 336 Ca 0.21 1.69 -0.08 0.00 1.31 0.00 0.00 55.95 59.08 2wei s SER 336 Cb 0.14 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.83 2wei s SER 336 CO 0.20 -0.35 0.95 -0.44 0.41 0.00 0.00 173.24 174.01 2wei s SER 337 N -2.17 5.73 0.00 2.44 0.01 -1.26 -5.03 113.70 113.42 2wei s SER 337 Ca 0.62 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.82 2wei s SER 337 Cb -0.09 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.20 2wei s SER 337 CO 0.13 -1.04 0.00 1.21 0.41 0.00 0.00 173.24 173.95