#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r3r n GLU 2 N 0.00 0.21 0.00 2.12 0.00 -1.26 -1.61 120.64 120.10 2r3r n GLU 2 Ca 0.00 0.14 0.14 0.00 0.00 0.00 0.00 57.16 57.44 2r3r n GLU 2 Cb 0.00 -1.50 0.52 0.00 0.00 0.00 0.00 31.44 30.46 2r3r n GLU 2 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2r3r n ASN 3 N -1.24 0.97 -4.20 -1.84 3.02 -1.26 -4.88 115.26 105.84 2r3r n ASN 3 Ca 0.06 -1.02 -0.24 0.00 -0.03 0.00 0.00 54.58 53.35 2r3r n ASN 3 Cb 0.09 0.03 -0.14 0.00 -0.61 0.00 0.00 39.78 39.15 2r3r n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2r3r s PHE 4 N -2.30 1.60 -0.24 3.10 0.08 -0.63 0.46 117.98 120.05 2r3r s PHE 4 Ca 0.31 -0.34 -0.03 0.00 0.12 0.00 0.00 56.93 56.99 2r3r s PHE 4 Cb 0.20 -0.98 0.01 0.00 -0.57 0.00 0.00 43.02 41.68 2r3r s PHE 4 CO 0.44 0.04 -0.04 -1.14 -0.10 0.00 0.00 175.22 174.42 2r3r s GLN 5 N -0.92 3.12 0.33 0.44 2.00 0.35 -4.85 119.66 120.13 2r3r s GLN 5 Ca 0.06 -0.80 -0.29 0.00 -2.00 0.00 0.00 55.36 52.34 2r3r s GLN 5 Cb -0.08 -3.03 -0.10 0.00 0.80 0.00 0.00 33.01 30.60 2r3r s GLN 5 CO 0.01 -0.31 1.28 0.15 -0.50 0.00 0.00 175.29 175.93 2r3r s LYS 6 N 1.42 4.36 -0.23 1.67 1.02 -1.26 -0.23 119.74 126.49 2r3r s LYS 6 Ca 0.03 2.17 -0.10 0.00 0.02 0.00 0.00 55.97 58.09 2r3r s LYS 6 Cb -0.15 -3.06 -0.10 0.00 -0.52 0.00 0.00 37.83 33.99 2r3r s LYS 6 CO -0.03 -0.17 -0.29 0.28 -0.92 0.00 0.00 175.35 174.23 2r3r n VAL 7 N 0.79 1.25 -3.56 3.17 0.31 0.18 -4.87 118.33 115.60 2r3r n VAL 7 Ca 0.00 -0.33 -0.06 0.00 -0.01 0.00 0.00 64.34 63.94 2r3r n VAL 7 Cb 0.42 -1.76 -0.02 0.00 -0.91 0.00 0.00 33.84 31.57 2r3r n VAL 7 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2r3r s GLU 8 N -2.42 0.64 0.12 5.55 -1.05 -1.14 -5.00 118.70 115.40 2r3r s GLU 8 Ca -0.32 -0.25 -0.30 0.00 -0.15 0.00 0.00 54.97 53.95 2r3r s GLU 8 Cb 0.12 0.28 -0.06 0.00 -0.44 0.00 0.00 34.13 34.03 2r3r s GLU 8 CO 0.41 -0.28 1.00 0.21 0.95 0.00 0.00 175.26 177.54 2r3r s LYS 9 N -2.84 4.67 0.00 -4.83 2.20 -1.26 -0.65 119.74 117.02 2r3r s LYS 9 Ca 0.08 1.51 0.01 0.00 -0.36 0.00 0.00 55.97 57.20 2r3r s LYS 9 Cb -0.01 -3.36 0.01 0.00 -1.51 0.00 0.00 37.83 32.96 2r3r s LYS 9 CO -0.06 0.16 0.65 0.44 -0.36 0.00 0.00 175.35 176.17 2r3r n ILE 10 N 2.79 0.26 0.00 5.43 -5.35 0.13 -4.85 119.36 117.77 2r3r n ILE 10 Ca 0.03 -0.63 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 2r3r n ILE 10 Cb 0.49 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 39.26 2r3r n ILE 10 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2r3r n GLY 11 N -0.10 1.54 3.10 3.28 0.00 -1.07 -4.99 105.19 106.96 2r3r n GLY 11 Ca 0.00 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 2r3r n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r3r s GLU 12 N -2.00 1.97 0.86 1.61 2.02 -1.26 -0.97 118.70 120.93 2r3r s GLU 12 Ca 0.00 -1.89 -0.13 0.00 0.02 0.00 0.00 54.97 52.97 2r3r s GLU 12 Cb 0.00 -3.54 0.13 0.00 0.10 0.00 0.00 34.13 30.82 2r3r s GLU 12 CO 0.00 -1.06 1.22 0.20 0.02 0.00 0.00 175.26 175.64 2r3r s GLY 13 N 1.61 1.69 0.20 -1.39 0.00 0.31 -4.97 107.32 104.76 2r3r s GLY 13 Ca 0.09 -0.95 -0.11 0.00 0.00 0.00 0.00 44.72 43.76 2r3r s GLY 13 CO -0.05 -0.34 1.78 -0.84 0.00 0.00 0.00 173.10 173.66 2r3r h THR 14 N -1.25 0.92 0.00 0.90 2.02 -1.98 -3.19 112.91 110.33 2r3r h THR 14 Ca -0.45 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.55 2r3r h THR 14 Cb 1.29 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 2r3r h THR 14 CO 0.53 0.10 -1.16 -1.22 0.37 0.00 0.00 175.52 174.14 2r3r n TYR 15 N -4.88 0.05 -0.87 3.16 4.01 -1.26 -3.31 117.16 114.06 2r3r n TYR 15 Ca 0.07 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 2r3r n TYR 15 Cb 0.18 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 2r3r n TYR 15 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2r3r n GLY 16 N 1.43 -1.92 3.77 2.72 0.00 -1.20 -1.26 105.19 108.73 2r3r n GLY 16 Ca 0.02 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 2r3r n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r3r s VAL 17 N -2.25 3.30 -0.15 1.61 0.11 -1.26 -0.53 120.40 121.23 2r3r s VAL 17 Ca 0.00 0.98 0.01 0.00 -2.93 0.00 0.00 61.98 60.04 2r3r s VAL 17 Cb 0.00 -3.50 0.00 0.00 -1.53 0.00 0.00 36.38 31.36 2r3r s VAL 17 CO 0.00 -0.01 -0.18 -0.69 -3.33 0.00 0.00 175.10 170.89 2r3r s VAL 18 N -1.59 2.42 0.08 2.04 1.01 -0.14 -2.25 120.40 121.98 2r3r s VAL 18 Ca 0.62 -0.85 0.08 0.00 0.00 0.00 0.00 61.98 61.83 2r3r s VAL 18 Cb -0.26 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2r3r s VAL 18 CO 0.32 0.53 -0.19 -0.31 0.00 0.00 0.00 175.10 175.45 2r3r s TYR 19 N 0.86 2.52 0.07 5.22 1.51 -0.29 -0.70 117.35 126.55 2r3r s TYR 19 Ca -0.05 -0.27 -0.27 0.00 -1.01 0.00 0.00 57.07 55.46 2r3r s TYR 19 Cb -0.15 -1.39 -0.05 0.00 -0.11 0.00 0.00 41.96 40.25 2r3r s TYR 19 CO -0.02 0.32 0.86 0.21 -1.11 0.00 0.00 175.55 175.81 2r3r s LYS 20 N -1.81 4.58 0.09 -0.62 2.20 0.18 0.10 119.74 124.47 2r3r s LYS 20 Ca 0.16 1.24 -0.04 0.00 -0.36 0.00 0.00 55.97 56.97 2r3r s LYS 20 Cb -0.10 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.81 2r3r s LYS 20 CO 0.07 0.23 0.09 0.00 -0.36 0.00 0.00 175.35 175.39 2r3r s ALA 21 N 0.05 0.31 -0.11 3.13 0.00 0.39 0.51 121.76 126.04 2r3r s ALA 21 Ca 0.43 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.35 2r3r s ALA 21 Cb -0.22 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 2r3r s ALA 21 CO 0.26 -0.47 -0.18 0.50 0.00 0.00 0.00 175.76 175.87 2r3r s ARG 22 N -3.94 3.14 -0.43 0.00 3.52 0.68 -0.43 118.95 121.50 2r3r s ARG 22 Ca 0.11 -0.78 -0.28 0.00 -0.13 0.00 0.00 55.73 54.66 2r3r s ARG 22 Cb 0.06 -2.46 -0.02 0.00 -1.56 0.00 0.00 34.95 30.97 2r3r s ARG 22 CO -0.06 0.24 1.88 1.21 -0.81 0.00 0.00 175.30 177.76 2r3r s ASN 23 N 0.24 5.57 0.00 -2.12 3.84 0.11 -0.49 114.94 122.08 2r3r s ASN 23 Ca -0.12 1.00 0.00 0.00 0.21 0.00 0.00 52.86 53.95 2r3r s ASN 23 Cb -0.16 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.01 2r3r s ASN 23 CO 0.06 -2.02 0.65 0.29 -2.79 0.00 0.00 177.10 173.30 2r3r n LYS 24 N 8.72 0.00 0.00 0.43 5.02 0.17 -1.17 118.16 131.33 2r3r n LYS 24 Ca 0.23 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 2r3r n LYS 24 Cb 0.49 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2r3r n LYS 24 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2r3r n LEU 25 N -1.15 0.00 0.16 -0.35 4.77 -1.26 -4.73 117.00 114.43 2r3r n LEU 25 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2r3r n LEU 25 Cb 0.17 -0.08 0.57 0.00 -2.33 0.00 0.00 43.42 41.75 2r3r n LEU 25 CO 0.00 -0.12 0.85 0.35 -1.33 0.00 0.00 177.39 177.14 2r3r n THR 26 N -1.61 0.92 -0.05 -5.08 -2.24 -1.22 -4.84 114.28 100.16 2r3r n THR 26 Ca 0.00 0.52 0.00 0.00 -2.27 0.00 0.00 64.05 62.30 2r3r n THR 26 Cb 0.00 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 66.73 2r3r n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r3r n GLY 27 N -0.72 2.34 3.56 3.38 0.00 -0.31 -5.00 105.19 108.44 2r3r n GLY 27 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 2r3r n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2r3r n GLU 28 N -2.00 1.05 -3.82 1.61 2.13 -1.26 -4.50 120.64 113.85 2r3r n GLU 28 Ca 0.00 0.37 -0.35 0.00 0.66 0.00 0.00 57.16 57.84 2r3r n GLU 28 Cb 0.00 -1.75 -0.09 0.00 0.27 0.00 0.00 31.44 29.86 2r3r n GLU 28 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2r3r s VAL 29 N -0.63 5.06 0.27 6.31 1.01 -1.26 0.06 120.40 131.22 2r3r s VAL 29 Ca 0.67 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.74 2r3r s VAL 29 Cb -0.81 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2r3r s VAL 29 CO 0.56 0.41 0.16 0.68 0.00 0.00 0.00 175.10 176.91 2r3r s VAL 30 N 0.67 0.21 -0.17 2.92 -7.23 0.43 -4.29 120.40 112.95 2r3r s VAL 30 Ca 0.06 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.18 2r3r s VAL 30 Cb -0.13 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 2r3r s VAL 30 CO 0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 175.10 174.78 2r3r s ALA 31 N -3.76 3.03 -0.19 1.32 0.00 -0.05 -0.46 121.76 121.64 2r3r s ALA 31 Ca 0.38 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.46 2r3r s ALA 31 Cb 0.05 -1.63 -0.00 0.00 0.00 0.00 0.00 23.12 21.54 2r3r s ALA 31 CO 0.17 0.12 -0.09 -1.17 0.00 0.00 0.00 175.76 174.79 2r3r s LEU 32 N 0.52 2.70 -0.19 0.00 2.96 0.11 -0.38 118.68 124.41 2r3r s LEU 32 Ca -0.02 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.41 2r3r s LEU 32 Cb -0.14 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 2r3r s LEU 32 CO 0.02 0.03 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.52 2r3r s LYS 33 N 1.19 3.62 -0.08 1.98 1.02 0.22 -1.14 119.74 126.54 2r3r s LYS 33 Ca 0.02 -0.53 -0.20 0.00 0.02 0.00 0.00 55.97 55.28 2r3r s LYS 33 Cb -0.14 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 2r3r s LYS 33 CO -0.03 0.08 0.58 0.21 -0.92 0.00 0.00 175.35 175.26 2r3r s LYS 34 N 0.81 4.37 -0.38 1.68 2.20 -0.95 -1.14 119.74 126.33 2r3r s LYS 34 Ca -0.00 0.65 -0.06 0.00 -0.36 0.00 0.00 55.97 56.21 2r3r s LYS 34 Cb -0.14 -3.43 0.07 0.00 -1.51 0.00 0.00 37.83 32.82 2r3r s LYS 34 CO 0.02 0.16 0.16 0.42 -0.36 0.00 0.00 175.35 175.75 2r3r s ILE 35 N 0.56 3.66 0.00 5.43 -1.09 0.09 -3.29 121.20 126.56 2r3r s ILE 35 Ca 0.31 -1.51 0.00 0.00 -2.23 0.00 0.00 60.65 57.22 2r3r s ILE 35 Cb -0.17 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 2r3r s ILE 35 CO 0.14 -0.41 0.00 -1.14 -1.23 0.00 0.00 174.94 172.30 2r3r n ARG 36 N 4.75 0.00 -3.63 2.79 0.00 -0.39 -4.07 116.66 116.10 2r3r n ARG 36 Ca -0.09 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.71 2r3r n ARG 36 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.83 2r3r n ARG 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2r3r s VAL 44 N 0.00 -0.31 0.30 5.15 1.01 -1.26 -5.55 120.40 119.73 2r3r s VAL 44 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.69 2r3r s VAL 44 Cb 0.00 -1.00 -0.13 0.00 0.00 0.00 0.00 36.38 35.25 2r3r s VAL 44 CO 0.00 0.00 1.34 -2.65 0.00 0.00 0.00 175.10 173.79 2r3r n PRO 45 N 4.63 2.10 -0.24 2.72 -0.02 -1.26 -4.86 135.00 138.07 2r3r n PRO 45 Ca -0.17 0.74 0.04 0.00 -2.02 0.00 0.00 63.50 62.09 2r3r n PRO 45 Cb 0.56 -2.35 0.28 0.00 -0.02 0.00 0.00 33.50 31.97 2r3r n PRO 45 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2r3r h SER 46 N 3.32 0.81 -0.99 2.55 0.02 -2.02 -2.12 113.55 115.10 2r3r h SER 46 Ca -0.45 -0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.54 2r3r h SER 46 Cb 1.28 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 63.58 2r3r h SER 46 CO 0.69 0.53 0.65 0.71 -1.14 0.00 0.00 176.83 178.27 2r3r h THR 47 N 0.92 1.14 -0.40 -2.27 1.35 -1.98 -0.37 112.91 111.32 2r3r h THR 47 Ca 0.34 -0.42 -0.07 0.00 -0.55 0.00 0.00 66.41 65.71 2r3r h THR 47 Cb 0.16 -0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 66.38 2r3r h THR 47 CO -0.11 0.22 -0.02 0.00 -0.25 0.00 0.00 175.52 175.36 2r3r h ALA 48 N 1.44 0.53 -0.50 6.62 0.00 -1.64 -1.30 119.26 124.41 2r3r h ALA 48 Ca 0.41 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2r3r h ALA 48 Cb 0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2r3r h ALA 48 CO -0.14 0.33 0.33 0.82 0.00 0.00 0.00 179.25 180.59 2r3r h ILE 49 N 0.53 1.11 -0.29 0.00 1.08 -1.08 0.40 117.51 119.26 2r3r h ILE 49 Ca 0.11 -0.23 -0.04 0.00 -0.39 0.00 0.00 64.86 64.32 2r3r h ILE 49 Cb 0.50 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 2r3r h ILE 49 CO 0.02 0.12 0.04 0.03 -0.69 0.00 0.00 178.15 177.67 2r3r h ARG 50 N 0.66 0.49 -0.00 2.37 3.08 -1.03 -0.48 114.38 119.47 2r3r h ARG 50 Ca 0.19 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2r3r h ARG 50 Cb -0.06 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 2r3r h ARG 50 CO -0.05 0.60 -0.01 1.49 -1.07 0.00 0.00 179.97 180.93 2r3r h GLU 51 N 0.30 -0.02 -0.56 0.04 4.57 -0.93 -2.14 114.58 115.84 2r3r h GLU 51 Ca 0.09 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.23 2r3r h GLU 51 Cb 0.36 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 2r3r h GLU 51 CO 0.01 -0.01 0.21 0.82 -1.18 0.00 0.00 179.01 178.85 2r3r h ILE 52 N -0.02 1.23 -0.79 2.32 1.08 -0.90 -2.69 117.51 117.73 2r3r h ILE 52 Ca 0.01 -0.72 0.07 0.00 -0.39 0.00 0.00 64.86 63.82 2r3r h ILE 52 Cb 0.03 0.66 -0.05 0.00 -3.07 0.00 0.00 36.82 34.39 2r3r h ILE 52 CO -0.02 0.28 0.52 0.28 -0.69 0.00 0.00 178.15 178.52 2r3r h SER 53 N 0.76 0.74 -0.28 1.72 0.02 -0.89 -0.53 113.55 115.10 2r3r h SER 53 Ca 0.18 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2r3r h SER 53 Cb 0.22 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2r3r h SER 53 CO -0.01 0.47 0.16 -0.07 -1.14 0.00 0.00 176.83 176.24 2r3r h LEU 54 N 0.84 0.36 -2.14 5.07 3.38 -1.04 -2.29 115.31 119.48 2r3r h LEU 54 Ca 0.34 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2r3r h LEU 54 Cb 0.27 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2r3r h LEU 54 CO -0.12 0.30 0.00 -0.07 0.09 0.00 0.00 178.44 178.64 2r3r h LEU 55 N 0.42 0.00 -2.36 1.67 3.38 -1.02 -2.52 115.31 114.89 2r3r h LEU 55 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2r3r h LEU 55 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2r3r h LEU 55 CO -0.02 0.00 -0.04 0.11 0.09 0.00 0.00 178.44 178.58 2r3r h LYS 56 N 0.00 0.00 -0.00 1.13 1.57 -1.47 -2.02 116.57 115.78 2r3r h LYS 56 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2r3r h LYS 56 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2r3r h LYS 56 CO 0.00 0.04 -0.82 0.39 -0.57 0.00 0.00 179.45 178.49 2r3r n GLU 57 N -3.49 0.13 -2.12 3.15 1.02 -0.95 -4.69 120.64 113.69 2r3r n GLU 57 Ca -0.02 -0.10 -0.42 0.00 -0.02 0.00 0.00 57.16 56.59 2r3r n GLU 57 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 2r3r n GLU 57 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2r3r n LEU 58 N -1.35 6.24 -4.64 -4.62 7.94 -0.76 -4.95 117.00 114.87 2r3r n LEU 58 Ca 0.05 -4.18 -0.35 0.00 -1.11 0.00 0.00 56.01 50.42 2r3r n LEU 58 Cb 0.34 -1.65 -0.10 0.00 0.53 0.00 0.00 43.42 42.54 2r3r n LEU 58 CO 0.39 0.88 -0.27 0.20 -1.11 0.00 0.00 177.39 177.49 2r3r s ASN 59 N 3.08 5.51 -0.01 1.96 0.01 -1.26 -4.93 114.94 119.29 2r3r s ASN 59 Ca 0.47 0.09 -0.28 0.00 -0.71 0.00 0.00 52.86 52.43 2r3r s ASN 59 Cb 0.10 -1.88 0.07 0.00 0.41 0.00 0.00 41.25 39.95 2r3r s ASN 59 CO -0.03 0.22 0.64 -2.28 -1.51 0.00 0.00 177.10 174.14 2r3r s HIS 60 N 0.10 -0.60 0.49 2.20 2.46 -1.26 -5.05 115.29 113.63 2r3r s HIS 60 Ca 0.04 0.93 0.40 0.00 0.47 0.00 0.00 55.06 56.89 2r3r s HIS 60 Cb -0.12 0.41 2.04 0.00 -0.13 0.00 0.00 32.58 34.77 2r3r s HIS 60 CO 0.01 -0.63 2.24 -1.35 -2.47 0.00 0.00 174.74 172.54 2r3r h PRO 61 N 2.90 0.00 -0.47 2.88 0.11 -1.99 -1.84 132.00 133.60 2r3r h PRO 61 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2r3r h PRO 61 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2r3r h PRO 61 CO 0.39 0.01 0.00 0.09 -0.21 0.00 0.00 178.00 178.28 2r3r n ASN 62 N -3.17 4.68 -4.08 -2.05 4.13 -1.26 -4.85 115.26 108.65 2r3r n ASN 62 Ca -0.02 -2.79 -0.31 0.00 1.68 0.00 0.00 54.58 53.15 2r3r n ASN 62 Cb 0.15 -0.58 -0.16 0.00 -1.54 0.00 0.00 39.78 37.64 2r3r n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2r3r s ILE 63 N -2.46 1.74 0.13 2.41 1.01 -0.69 -0.96 121.20 122.38 2r3r s ILE 63 Ca 0.47 -0.76 -0.32 0.00 0.00 0.00 0.00 60.65 60.04 2r3r s ILE 63 Cb 0.35 -1.58 -0.12 0.00 0.01 0.00 0.00 42.46 41.12 2r3r s ILE 63 CO 0.15 0.49 1.76 0.52 0.00 0.00 0.00 174.94 177.86 2r3r n VAL 64 N 4.41 0.23 -2.05 2.92 0.31 -0.30 -4.52 118.33 119.33 2r3r n VAL 64 Ca -0.19 -0.04 -0.42 0.00 -0.01 0.00 0.00 64.34 63.68 2r3r n VAL 64 Cb 0.51 -1.93 -0.03 0.00 -0.91 0.00 0.00 33.84 31.48 2r3r n VAL 64 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2r3r s LYS 65 N 2.12 4.24 -0.58 5.55 2.20 -1.26 -4.86 119.74 127.15 2r3r s LYS 65 Ca 0.81 2.19 -0.24 0.00 -0.36 0.00 0.00 55.97 58.36 2r3r s LYS 65 Cb -0.56 -3.55 0.05 0.00 -1.51 0.00 0.00 37.83 32.26 2r3r s LYS 65 CO 0.38 -0.65 0.97 -1.17 -0.36 0.00 0.00 175.35 174.52 2r3r s LEU 66 N 2.39 4.07 -0.00 5.43 2.96 -1.26 -0.84 118.68 131.42 2r3r s LEU 66 Ca 0.69 -0.44 -0.20 0.00 -0.22 0.00 0.00 54.13 53.96 2r3r s LEU 66 Cb -0.37 -2.76 -0.24 0.00 0.50 0.00 0.00 46.19 43.32 2r3r s LEU 66 CO 0.30 -1.31 1.07 -0.07 -1.32 0.00 0.00 176.35 175.03 2r3r h LEU 67 N 11.19 0.51 -7.00 -0.68 3.38 -0.60 -3.44 115.31 118.66 2r3r h LEU 67 Ca -0.27 -0.78 -0.01 0.00 0.09 0.00 0.00 57.88 56.91 2r3r h LEU 67 Cb 1.07 -0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.53 2r3r h LEU 67 CO 1.12 1.23 0.23 -1.81 0.09 0.00 0.00 178.44 179.30 2r3r s ASP 68 N -6.75 -0.56 -0.12 -0.43 1.01 -1.03 -5.00 116.67 103.77 2r3r s ASP 68 Ca -0.13 0.09 0.03 0.00 0.71 0.00 0.00 52.55 53.24 2r3r s ASP 68 Cb 0.03 0.57 0.01 0.00 1.01 0.00 0.00 42.92 44.54 2r3r s ASP 68 CO 0.82 -0.89 -0.21 -0.69 0.21 0.00 0.00 175.17 174.40 2r3r s VAL 69 N -3.38 1.96 -0.20 -1.27 1.01 -1.26 -0.86 120.40 116.40 2r3r s VAL 69 Ca -0.00 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.06 2r3r s VAL 69 Cb -0.01 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.68 2r3r s VAL 69 CO -0.10 0.53 -0.17 -0.63 0.00 0.00 0.00 175.10 174.74 2r3r s ILE 70 N 0.70 2.04 -0.32 2.22 1.01 0.55 -5.00 121.20 122.41 2r3r s ILE 70 Ca -0.11 -1.12 -0.00 0.00 0.00 0.00 0.00 60.65 59.42 2r3r s ILE 70 Cb -0.16 -1.95 0.07 0.00 0.01 0.00 0.00 42.46 40.43 2r3r s ILE 70 CO 0.01 0.36 0.02 -2.28 0.00 0.00 0.00 174.94 173.05 2r3r s HIS 71 N 1.25 3.39 -0.06 3.97 2.46 -1.26 -0.28 115.29 124.76 2r3r s HIS 71 Ca 0.01 -2.20 -0.06 0.00 0.47 0.00 0.00 55.06 53.28 2r3r s HIS 71 Cb -0.15 -2.37 0.01 0.00 -0.13 0.00 0.00 32.58 29.95 2r3r s HIS 71 CO -0.10 -0.87 0.16 0.99 -2.47 0.00 0.00 174.74 172.45 2r3r s THR 72 N 1.16 0.00 -1.41 0.89 2.01 -0.31 -4.84 115.64 113.15 2r3r s THR 72 Ca -0.02 -0.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.93 2r3r s THR 72 Cb -0.20 -0.23 0.01 0.00 0.01 0.00 0.00 72.50 72.09 2r3r s THR 72 CO -0.03 -0.01 0.25 -0.62 -0.69 0.00 0.00 174.62 173.52 2r3r n GLU 73 N 2.95 -3.02 -2.08 4.92 1.02 -1.26 0.05 120.64 123.21 2r3r n GLU 73 Ca -0.13 0.76 -0.17 0.00 -0.02 0.00 0.00 57.16 57.60 2r3r n GLU 73 Cb 0.59 -5.46 -0.03 0.00 -0.02 0.00 0.00 31.44 26.52 2r3r n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2r3r n ASN 74 N -2.14 -5.05 -4.50 1.62 5.03 -1.26 -5.00 115.26 103.96 2r3r n ASN 74 Ca -0.14 0.11 -0.30 0.00 0.87 0.00 0.00 54.58 55.13 2r3r n ASN 74 Cb 0.62 -4.12 -0.11 0.00 -1.02 0.00 0.00 39.78 35.14 2r3r n ASN 74 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2r3r s LYS 75 N -4.45 1.95 -0.12 3.52 2.47 0.11 -4.51 119.74 118.71 2r3r s LYS 75 Ca 0.00 -1.08 0.02 0.00 -1.56 0.00 0.00 55.97 53.35 2r3r s LYS 75 Cb 0.00 -2.18 0.01 0.00 -1.46 0.00 0.00 37.83 34.20 2r3r s LYS 75 CO 0.00 0.51 -0.20 -1.17 0.16 0.00 0.00 175.35 174.64 2r3r s LEU 76 N -1.94 1.99 -0.06 5.43 2.96 -1.26 -1.16 118.68 124.65 2r3r s LEU 76 Ca 0.18 -0.54 0.04 0.00 -0.22 0.00 0.00 54.13 53.59 2r3r s LEU 76 Cb -0.11 -1.33 -0.00 0.00 0.50 0.00 0.00 46.19 45.25 2r3r s LEU 76 CO 0.09 0.07 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.69 2r3r s TYR 77 N 0.79 1.99 -0.16 5.38 1.51 0.61 -0.74 117.35 126.74 2r3r s TYR 77 Ca -0.09 -0.65 -0.03 0.00 -1.01 0.00 0.00 57.07 55.29 2r3r s TYR 77 Cb -0.16 -1.34 -0.02 0.00 -0.11 0.00 0.00 41.96 40.33 2r3r s TYR 77 CO -0.00 -0.24 -0.06 -0.51 -1.11 0.00 0.00 175.55 173.62 2r3r s LEU 78 N 0.14 3.06 -0.24 -1.29 1.43 -0.29 -0.33 118.68 121.15 2r3r s LEU 78 Ca -0.08 -0.21 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 2r3r s LEU 78 Cb -0.14 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2r3r s LEU 78 CO 0.04 0.15 0.09 -0.69 0.23 0.00 0.00 176.35 176.17 2r3r s VAL 79 N 0.49 4.55 0.31 -1.59 1.01 -0.04 -0.61 120.40 124.51 2r3r s VAL 79 Ca -0.05 -0.09 0.11 0.00 0.00 0.00 0.00 61.98 61.94 2r3r s VAL 79 Cb -0.15 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.05 2r3r s VAL 79 CO 0.03 0.34 -0.14 -0.36 0.00 0.00 0.00 175.10 174.98 2r3r s PHE 80 N 1.46 2.37 0.51 5.22 0.08 0.49 0.18 117.98 128.28 2r3r s PHE 80 Ca 0.06 -0.40 -0.23 0.00 0.12 0.00 0.00 56.93 56.48 2r3r s PHE 80 Cb -0.15 -1.19 -0.06 0.00 -0.57 0.00 0.00 43.02 41.05 2r3r s PHE 80 CO 0.05 0.65 1.36 -2.00 -0.10 0.00 0.00 175.22 175.17 2r3r s GLU 81 N -3.57 3.37 -0.10 0.44 2.12 -0.02 -0.87 118.70 120.07 2r3r s GLU 81 Ca 0.31 2.25 -0.11 0.00 0.36 0.00 0.00 54.97 57.79 2r3r s GLU 81 Cb -0.02 -2.40 -0.05 0.00 0.26 0.00 0.00 34.13 31.92 2r3r s GLU 81 CO 0.16 -1.01 0.24 0.12 -0.54 0.00 0.00 175.26 174.23 2r3r s PHE 82 N -1.29 3.59 0.07 5.30 5.36 -1.26 -4.35 117.98 125.39 2r3r s PHE 82 Ca 0.67 0.64 0.07 0.00 -0.96 0.00 0.00 56.93 57.36 2r3r s PHE 82 Cb -0.40 -2.13 -0.03 0.00 -0.34 0.00 0.00 43.02 40.12 2r3r s PHE 82 CO 0.49 0.58 -0.20 -0.51 -1.46 0.00 0.00 175.22 174.12 2r3r s LEU 83 N -0.63 2.23 0.43 6.12 1.02 -1.26 -5.00 118.68 121.59 2r3r s LEU 83 Ca 0.17 -0.58 0.26 0.00 0.02 0.00 0.00 54.13 53.99 2r3r s LEU 83 Cb -0.13 -0.88 0.66 0.00 0.02 0.00 0.00 46.19 45.86 2r3r s LEU 83 CO 0.06 0.09 1.72 0.45 0.02 0.00 0.00 176.35 178.69 2r3r h HIS 84 N 4.53 0.00 -3.21 0.29 3.86 -1.98 -3.47 115.15 115.17 2r3r h HIS 84 Ca -0.43 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.68 2r3r h HIS 84 Cb 1.17 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 29.47 2r3r h HIS 84 CO 0.56 0.00 -0.22 -1.14 0.86 0.00 0.00 177.93 177.99 2r3r s GLN 85 N -3.31 0.82 0.31 2.45 0.74 -1.18 -5.04 119.66 114.44 2r3r s GLN 85 Ca 0.06 -0.43 0.08 0.00 0.05 0.00 0.00 55.36 55.12 2r3r s GLN 85 Cb 0.07 0.36 -0.04 0.00 1.10 0.00 0.00 33.01 34.50 2r3r s GLN 85 CO 0.62 -0.26 0.16 0.16 -0.55 0.00 0.00 175.29 175.42 2r3r s ASP 86 N -1.96 4.94 0.38 6.67 1.47 -1.26 -0.51 116.67 126.41 2r3r s ASP 86 Ca -0.06 -0.59 0.14 0.00 1.18 0.00 0.00 52.55 53.22 2r3r s ASP 86 Cb -0.01 -0.93 0.76 0.00 -0.34 0.00 0.00 42.92 42.40 2r3r s ASP 86 CO -0.02 -0.21 1.83 0.25 0.68 0.00 0.00 175.17 177.70 2r3r h LEU 87 N 1.53 0.00 -0.01 2.11 5.85 -0.49 -1.96 115.31 122.34 2r3r h LEU 87 Ca -0.45 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 2r3r h LEU 87 Cb 1.25 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 2r3r h LEU 87 CO 0.61 0.36 0.01 0.50 -0.34 0.00 0.00 178.44 179.58 2r3r h LYS 88 N 0.00 0.02 -0.24 1.25 3.64 -1.81 -0.03 116.57 119.39 2r3r h LYS 88 Ca -0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2r3r h LYS 88 Cb 0.66 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2r3r h LYS 88 CO 0.05 0.07 0.13 -0.22 -2.27 0.00 0.00 179.45 177.20 2r3r h LYS 89 N -0.04 0.34 -0.88 1.90 3.64 -1.87 -1.16 116.57 118.51 2r3r h LYS 89 Ca 0.00 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.40 2r3r h LYS 89 Cb 0.05 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 2r3r h LYS 89 CO -0.00 0.32 0.57 0.35 -2.27 0.00 0.00 179.45 178.42 2r3r h PHE 90 N 0.28 1.01 -0.23 1.91 3.57 -1.19 0.26 116.94 122.55 2r3r h PHE 90 Ca 0.09 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.41 2r3r h PHE 90 Cb 0.08 -0.33 0.01 0.00 2.79 0.00 0.00 35.95 38.49 2r3r h PHE 90 CO -0.03 0.54 -0.65 0.52 -2.23 0.00 0.00 178.31 176.47 2r3r h MET 91 N 1.01 0.84 -0.26 1.11 2.86 -0.72 -1.13 114.93 118.64 2r3r h MET 91 Ca 0.37 -0.60 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2r3r h MET 91 Cb 0.16 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 2r3r h MET 91 CO -0.13 1.22 0.16 -0.44 1.06 0.00 0.00 176.91 178.79 2r3r h ASP 92 N 0.61 0.31 0.07 1.22 3.32 -0.15 -2.08 116.42 119.72 2r3r h ASP 92 Ca -0.02 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2r3r h ASP 92 Cb 1.27 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.74 2r3r h ASP 92 CO 0.14 0.25 -0.07 0.00 -1.72 0.00 0.00 179.24 177.84 2r3r h ALA 93 N 1.07 1.86 -0.64 3.45 0.00 -0.45 -2.53 119.26 122.03 2r3r h ALA 93 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2r3r h ALA 93 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2r3r h ALA 93 CO -0.02 0.08 0.00 0.43 0.00 0.00 0.00 179.25 179.74 2r3r n SER 94 N -4.42 5.15 -0.02 0.00 7.64 -0.44 -4.64 113.62 116.90 2r3r n SER 94 Ca -0.03 -2.61 -0.10 0.00 1.01 0.00 0.00 58.87 57.15 2r3r n SER 94 Cb 0.15 -0.62 -0.04 0.00 -1.01 0.00 0.00 64.21 62.68 2r3r n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2r3r h ALA 95 N 4.15 0.17 -0.88 -0.43 0.00 -0.94 1.01 119.26 122.34 2r3r h ALA 95 Ca 0.00 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.03 2r3r h ALA 95 Cb 1.64 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.37 2r3r h ALA 95 CO 0.32 -0.38 0.57 -0.07 0.00 0.00 0.00 179.25 179.69 2r3r h LEU 96 N 0.13 0.76 0.00 0.00 -0.00 -1.83 -3.26 115.31 111.12 2r3r h LEU 96 Ca 0.06 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 2r3r h LEU 96 Cb 0.03 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.56 2r3r h LEU 96 CO -0.06 0.44 -0.64 1.07 -0.00 0.00 0.00 178.44 179.25 2r3r n THR 97 N -4.53 0.00 -0.09 0.22 5.66 -1.17 -5.13 114.28 109.24 2r3r n THR 97 Ca 0.15 -0.24 0.01 0.00 -3.05 0.00 0.00 64.05 60.92 2r3r n THR 97 Cb 0.33 0.71 -0.00 0.00 -1.55 0.00 0.00 70.33 69.82 2r3r n THR 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2r3r n GLY 98 N 1.74 -2.73 3.71 1.09 0.00 0.35 -4.87 105.19 104.47 2r3r n GLY 98 Ca -0.00 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 2r3r n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2r3r s ILE 99 N -3.38 4.69 0.31 -0.61 1.01 -1.26 -4.93 121.20 117.02 2r3r s ILE 99 Ca 0.00 1.93 -0.29 0.00 0.00 0.00 0.00 60.65 62.29 2r3r s ILE 99 Cb 0.00 -4.24 -0.13 0.00 0.01 0.00 0.00 42.46 38.10 2r3r s ILE 99 CO 0.00 0.12 1.26 -2.65 0.00 0.00 0.00 174.94 173.67 2r3r n PRO 100 N 4.14 1.94 -0.30 2.79 -0.02 -1.26 -4.73 135.00 137.57 2r3r n PRO 100 Ca 0.07 0.68 0.10 0.00 -2.02 0.00 0.00 63.50 62.34 2r3r n PRO 100 Cb 0.50 -2.24 0.27 0.00 -0.02 0.00 0.00 33.50 32.00 2r3r n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2r3r h LEU 101 N 2.84 0.40 -1.59 2.45 5.85 -1.99 -0.86 115.31 122.41 2r3r h LEU 101 Ca -0.45 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 2r3r h LEU 101 Cb 1.29 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 2r3r h LEU 101 CO 0.65 0.09 0.19 -0.65 -0.34 0.00 0.00 178.44 178.38 2r3r h PRO 102 N 0.49 0.46 -0.06 5.25 0.11 -1.99 0.86 132.00 137.12 2r3r h PRO 102 Ca 0.51 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.40 2r3r h PRO 102 Cb 0.87 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.89 2r3r h PRO 102 CO -0.46 0.34 -0.68 1.25 -0.21 0.00 0.00 178.00 178.25 2r3r h LEU 103 N 0.47 0.70 -0.56 2.35 5.85 -1.55 -1.49 115.31 121.08 2r3r h LEU 103 Ca 0.12 -0.69 0.03 0.00 0.84 0.00 0.00 57.88 58.18 2r3r h LEU 103 Cb 0.01 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 2r3r h LEU 103 CO -0.02 1.29 0.33 0.40 -0.34 0.00 0.00 178.44 180.10 2r3r h ILE 104 N 0.17 1.04 -0.32 4.05 2.04 -0.84 0.78 117.51 124.44 2r3r h ILE 104 Ca -0.07 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 2r3r h ILE 104 Cb 1.34 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2r3r h ILE 104 CO 0.14 0.12 0.19 0.50 0.00 0.00 0.00 178.15 179.09 2r3r h LYS 105 N 0.65 0.43 -0.53 2.37 3.64 -0.83 0.11 116.57 122.41 2r3r h LYS 105 Ca 0.23 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2r3r h LYS 105 Cb 0.05 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 2r3r h LYS 105 CO -0.11 0.34 0.33 1.03 -2.27 0.00 0.00 179.45 178.77 2r3r h SER 106 N 0.40 0.64 -0.28 4.20 0.87 -0.90 -0.37 113.55 118.10 2r3r h SER 106 Ca 0.11 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2r3r h SER 106 Cb 0.03 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 2r3r h SER 106 CO -0.02 0.50 0.18 1.88 -0.53 0.00 0.00 176.83 178.84 2r3r h TYR 107 N 0.72 0.36 -0.59 2.24 0.05 -0.48 -1.02 116.97 118.25 2r3r h TYR 107 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.98 2r3r h TYR 107 Cb -0.02 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 2r3r h TYR 107 CO -0.03 0.25 0.38 1.25 -1.05 0.00 0.00 178.16 178.97 2r3r h LEU 108 N 0.37 0.68 -0.43 3.88 5.85 -0.78 0.04 115.31 124.91 2r3r h LEU 108 Ca 0.10 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2r3r h LEU 108 Cb -0.01 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2r3r h LEU 108 CO -0.02 0.50 0.26 0.15 -0.34 0.00 0.00 178.44 178.99 2r3r h PHE 109 N 0.80 0.49 -0.36 1.25 3.57 -0.80 -0.43 116.94 121.46 2r3r h PHE 109 Ca 0.21 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 2r3r h PHE 109 Cb -0.08 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 2r3r h PHE 109 CO -0.03 0.29 0.12 1.96 -2.23 0.00 0.00 178.31 178.42 2r3r h GLN 110 N 0.53 0.55 -0.82 1.11 4.20 -0.91 -1.53 115.11 118.24 2r3r h GLN 110 Ca 0.17 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2r3r h GLN 110 Cb -0.01 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 2r3r h GLN 110 CO -0.07 0.57 0.43 -0.07 -0.67 0.00 0.00 178.83 179.01 2r3r h LEU 111 N 0.43 1.04 -1.12 1.46 3.38 -0.79 -1.56 115.31 118.14 2r3r h LEU 111 Ca 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2r3r h LEU 111 Cb 0.24 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2r3r h LEU 111 CO -0.00 0.85 0.42 -0.07 0.09 0.00 0.00 178.44 179.73 2r3r h LEU 112 N 1.16 0.91 -0.43 1.67 3.38 -0.84 0.29 115.31 121.45 2r3r h LEU 112 Ca 0.29 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 2r3r h LEU 112 Cb 0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2r3r h LEU 112 CO -0.04 0.73 0.12 1.56 0.09 0.00 0.00 178.44 180.90 2r3r h GLN 113 N 1.04 0.68 -0.30 1.13 4.20 -0.60 0.11 115.11 121.38 2r3r h GLN 113 Ca 0.27 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.84 2r3r h GLN 113 Cb 0.00 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 2r3r h GLN 113 CO -0.05 0.67 0.15 0.78 -0.67 0.00 0.00 178.83 179.71 2r3r h GLY 114 N 0.56 0.40 0.96 3.46 0.00 -0.82 -1.76 103.07 105.86 2r3r h GLY 114 Ca 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 2r3r h GLY 114 CO -0.00 0.08 0.20 1.41 0.00 0.00 0.00 176.54 178.23 2r3r h LEU 115 N 0.31 0.54 -1.03 3.11 3.38 -0.75 -2.18 115.31 118.69 2r3r h LEU 115 Ca 0.12 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2r3r h LEU 115 Cb 0.04 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 2r3r h LEU 115 CO -0.09 0.51 0.64 0.00 0.09 0.00 0.00 178.44 179.60 2r3r h ALA 116 N 1.05 1.41 0.61 1.53 0.00 -0.56 0.17 119.26 123.46 2r3r h ALA 116 Ca 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2r3r h ALA 116 Cb 0.12 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.60 2r3r h ALA 116 CO -0.02 0.45 -0.29 0.35 0.00 0.00 0.00 179.25 179.74 2r3r h PHE 117 N 1.17 -0.76 -0.23 0.00 3.57 -1.09 -1.46 116.94 118.15 2r3r h PHE 117 Ca 0.42 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.91 2r3r h PHE 117 Cb 0.15 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2r3r h PHE 117 CO -0.00 -0.42 0.15 0.00 -2.23 0.00 0.00 178.31 175.81 2r3r h HIS 119 N 0.30 0.00 0.00 0.00 3.86 -0.64 0.19 115.15 118.87 2r3r h HIS 119 Ca 0.08 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.26 2r3r h HIS 119 Cb -0.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 2r3r h HIS 119 CO -0.06 0.00 -0.18 0.66 0.86 0.00 0.00 177.93 179.21 2r3r h SER 120 N 0.00 0.00 -0.67 2.45 4.64 -0.73 -1.74 113.55 117.51 2r3r h SER 120 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2r3r h SER 120 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2r3r h SER 120 CO -0.00 0.18 0.00 1.41 -0.87 0.00 0.00 176.83 177.55 2r3r n HIS 121 N -3.33 1.22 -2.33 4.77 8.25 0.61 -4.94 115.22 119.46 2r3r n HIS 121 Ca 0.00 -0.56 -0.17 0.00 -0.26 0.00 0.00 57.72 56.73 2r3r n HIS 121 Cb 0.41 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.38 2r3r n HIS 121 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2r3r n ARG 122 N 1.30 -1.41 -4.28 -0.41 1.74 -0.65 -4.99 116.66 107.97 2r3r n ARG 122 Ca 0.25 0.84 -0.34 0.00 -0.77 0.00 0.00 57.85 57.83 2r3r n ARG 122 Cb 0.76 -5.30 -0.12 0.00 -1.02 0.00 0.00 32.46 26.78 2r3r n ARG 122 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2r3r s VAL 123 N -2.87 4.00 0.19 1.55 1.01 -0.77 -4.99 120.40 118.52 2r3r s VAL 123 Ca 0.00 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.73 2r3r s VAL 123 Cb -0.00 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2r3r s VAL 123 CO 0.00 0.47 0.13 -0.76 0.00 0.00 0.00 175.10 174.95 2r3r s LEU 124 N 0.52 3.75 -0.17 3.92 1.02 -1.26 -3.54 118.68 122.92 2r3r s LEU 124 Ca -0.02 -0.20 -0.13 0.00 0.02 0.00 0.00 54.13 53.80 2r3r s LEU 124 Cb -0.14 -2.34 -0.08 0.00 0.02 0.00 0.00 46.19 43.65 2r3r s LEU 124 CO 0.02 0.04 -0.06 1.57 0.02 0.00 0.00 176.35 177.94 2r3r n HIS 125 N -0.54 0.92 0.00 0.29 -0.00 -1.26 -2.18 115.22 112.44 2r3r n HIS 125 Ca -0.08 0.40 0.00 0.00 0.46 0.00 0.00 57.72 58.49 2r3r n HIS 125 Cb 0.56 -0.87 0.00 0.00 -0.12 0.00 0.00 29.99 29.55 2r3r n HIS 125 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2r3r n ARG 126 N -4.55 0.00 -2.70 1.57 1.74 -1.26 -4.31 116.66 107.15 2r3r n ARG 126 Ca -0.16 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.85 2r3r n ARG 126 Cb 0.42 -0.90 0.04 0.00 -1.02 0.00 0.00 32.46 31.00 2r3r n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2r3r n ASP 127 N 0.00 1.67 -4.77 0.55 2.03 -1.26 -5.01 116.55 109.76 2r3r n ASP 127 Ca 0.00 -2.55 -0.41 0.00 0.52 0.00 0.00 54.79 52.35 2r3r n ASP 127 Cb 0.00 -0.51 -0.02 0.00 -0.72 0.00 0.00 41.12 39.88 2r3r n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2r3r s LEU 128 N -3.36 4.39 -0.03 -2.67 1.43 -1.26 -4.95 118.68 112.23 2r3r s LEU 128 Ca 0.28 2.79 -0.29 0.00 -1.03 0.00 0.00 54.13 55.88 2r3r s LEU 128 Cb 0.41 -3.65 0.10 0.00 0.03 0.00 0.00 46.19 43.08 2r3r s LEU 128 CO 0.01 -0.65 0.87 -1.59 0.23 0.00 0.00 176.35 175.22 2r3r s LYS 129 N -1.72 0.84 0.43 1.70 -2.85 -1.26 -4.79 119.74 112.08 2r3r s LYS 129 Ca 0.51 -0.18 0.19 0.00 -1.00 0.00 0.00 55.97 55.49 2r3r s LYS 129 Cb -0.42 0.39 1.13 0.00 -2.06 0.00 0.00 37.83 36.86 2r3r s LYS 129 CO 0.55 -0.34 1.85 -1.35 0.10 0.00 0.00 175.35 176.16 2r3r h PRO 130 N 2.20 0.35 0.00 1.78 0.11 -1.94 -0.45 132.00 134.05 2r3r h PRO 130 Ca -0.23 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 2r3r h PRO 130 Cb 1.22 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2r3r h PRO 130 CO 0.32 0.23 -0.02 1.96 -0.21 0.00 0.00 178.00 180.28 2r3r h GLN 131 N 0.36 0.00 -0.44 1.05 4.20 -1.96 -2.28 115.11 116.04 2r3r h GLN 131 Ca 0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.18 2r3r h GLN 131 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 2r3r h GLN 131 CO -0.17 0.02 0.00 0.27 -0.67 0.00 0.00 178.83 178.29 2r3r n ASN 132 N -3.92 4.38 -4.36 1.46 0.23 -0.18 -4.82 115.26 108.04 2r3r n ASN 132 Ca -0.03 -2.70 -0.38 0.00 -0.53 0.00 0.00 54.58 50.95 2r3r n ASN 132 Cb 0.11 -0.54 -0.12 0.00 -2.08 0.00 0.00 39.78 37.15 2r3r n ASN 132 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2r3r s LEU 133 N -2.28 3.98 -0.04 -4.53 1.43 -0.86 -0.82 118.68 115.55 2r3r s LEU 133 Ca 0.44 -0.71 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2r3r s LEU 133 Cb 0.32 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 2r3r s LEU 133 CO 0.16 -0.21 -0.08 -0.76 0.23 0.00 0.00 176.35 175.69 2r3r s LEU 134 N 1.52 3.10 0.18 1.79 1.43 0.27 -0.16 118.68 126.81 2r3r s LEU 134 Ca 0.03 -0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.12 2r3r s LEU 134 Cb -0.17 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 2r3r s LEU 134 CO 0.04 0.33 -0.18 0.27 0.23 0.00 0.00 176.35 177.04 2r3r s ILE 135 N -0.86 1.86 0.48 -0.59 -4.36 0.34 -0.23 121.20 117.85 2r3r s ILE 135 Ca 0.14 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.54 2r3r s ILE 135 Cb -0.11 -1.92 -0.01 0.00 1.25 0.00 0.00 42.46 41.67 2r3r s ILE 135 CO 0.03 -0.36 0.06 0.54 0.24 0.00 0.00 174.94 175.45 2r3r s ASN 136 N -2.83 3.66 0.40 4.36 2.20 -1.03 -3.09 114.94 118.61 2r3r s ASN 136 Ca 0.18 -1.69 0.28 0.00 -0.94 0.00 0.00 52.86 50.69 2r3r s ASN 136 Cb -0.05 0.59 1.10 0.00 -2.00 0.00 0.00 41.25 40.90 2r3r s ASN 136 CO 0.07 -0.92 1.84 0.71 -2.94 0.00 0.00 177.10 175.86 2r3r h THR 137 N 1.48 0.00 -0.01 0.54 1.35 -1.94 -3.17 112.91 111.17 2r3r h THR 137 Ca -0.40 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 2r3r h THR 137 Cb 1.30 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 2r3r h THR 137 CO 0.66 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.31 2r3r n GLU 138 N -2.69 1.31 -0.34 4.72 -0.58 -1.26 -4.54 120.64 117.26 2r3r n GLU 138 Ca 0.02 -0.45 0.00 0.00 -0.42 0.00 0.00 57.16 56.30 2r3r n GLU 138 Cb 0.30 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 2r3r n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2r3r n GLY 139 N 1.08 0.77 3.87 0.62 0.00 -1.20 -4.84 105.19 105.49 2r3r n GLY 139 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 2r3r n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r3r s ALA 140 N -2.25 3.34 0.01 4.61 0.00 -1.26 -4.91 121.76 121.30 2r3r s ALA 140 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.79 2r3r s ALA 140 Cb 0.00 -2.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 2r3r s ALA 140 CO 0.00 -0.00 -0.05 -1.50 0.00 0.00 0.00 175.76 174.20 2r3r s ILE 141 N -2.36 0.37 0.05 0.00 2.07 -1.26 -2.46 121.20 117.61 2r3r s ILE 141 Ca 0.52 -0.43 0.01 0.00 -1.41 0.00 0.00 60.65 59.34 2r3r s ILE 141 Cb -0.10 -0.36 -0.03 0.00 0.13 0.00 0.00 42.46 42.10 2r3r s ILE 141 CO 0.31 -0.05 -0.06 -0.54 -1.91 0.00 0.00 174.94 172.69 2r3r s LYS 142 N -0.51 0.55 -0.17 3.50 1.02 0.69 -4.67 119.74 120.14 2r3r s LYS 142 Ca -0.02 -0.87 -0.16 0.00 0.02 0.00 0.00 55.97 54.94 2r3r s LYS 142 Cb -0.04 -0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.08 2r3r s LYS 142 CO -0.00 0.00 0.40 -0.51 -0.92 0.00 0.00 175.35 174.32 2r3r s LEU 143 N -1.94 4.20 0.11 3.17 1.02 -0.13 -0.56 118.68 124.55 2r3r s LEU 143 Ca -0.06 0.59 0.04 0.00 0.02 0.00 0.00 54.13 54.73 2r3r s LEU 143 Cb -0.06 -2.54 -0.04 0.00 0.02 0.00 0.00 46.19 43.58 2r3r s LEU 143 CO -0.02 -0.03 0.07 0.00 0.02 0.00 0.00 176.35 176.39 2r3r s ALA 144 N 1.00 3.47 -0.59 4.21 0.00 -0.00 -1.15 121.76 128.70 2r3r s ALA 144 Ca 0.20 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2r3r s ALA 144 Cb -0.14 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.65 2r3r s ALA 144 CO 0.08 0.65 0.00 -0.25 0.00 0.00 0.00 175.76 176.24 2r3r n ASP 145 N 0.23 -3.71 -4.75 0.00 9.92 -1.26 -4.88 116.55 112.09 2r3r n ASP 145 Ca -0.09 0.14 -0.42 0.00 -0.53 0.00 0.00 54.79 53.89 2r3r n ASP 145 Cb 0.53 -1.70 -0.01 0.00 -0.64 0.00 0.00 41.12 39.29 2r3r n ASP 145 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 2r3r n PHE 146 N -2.82 2.89 0.00 1.24 -0.00 -1.26 -2.61 117.46 114.89 2r3r n PHE 146 Ca -0.06 0.29 0.00 0.00 -0.00 0.00 0.00 57.45 57.69 2r3r n PHE 146 Cb 0.19 -2.59 0.00 0.00 -0.00 0.00 0.00 39.48 37.08 2r3r n PHE 146 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2r3r n GLY 147 N 1.82 2.82 0.23 7.13 0.00 -0.93 -4.87 105.19 111.40 2r3r n GLY 147 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 2r3r n GLY 147 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2r3r h LEU 148 N 0.00 0.43 -0.58 0.99 3.38 -1.78 -2.91 115.31 114.84 2r3r h LEU 148 Ca 0.00 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.84 2r3r h LEU 148 Cb 0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2r3r h LEU 148 CO 0.00 0.68 0.38 0.00 0.09 0.00 0.00 178.44 179.59 2r3r h ALA 149 N 1.36 0.73 -0.20 1.53 0.00 -1.79 0.51 119.26 121.40 2r3r h ALA 149 Ca 0.06 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2r3r h ALA 149 Cb 0.65 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2r3r h ALA 149 CO 0.05 0.16 -0.20 -0.09 0.00 0.00 0.00 179.25 179.16 2r3r h ARG 150 N 0.77 0.36 -0.05 0.00 2.43 -1.83 0.80 114.38 116.86 2r3r h ARG 150 Ca 0.21 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 59.16 2r3r h ARG 150 Cb -0.08 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.44 2r3r h ARG 150 CO -0.05 0.55 -0.40 0.00 -1.51 0.00 0.00 179.97 178.56 2r3r h ALA 151 N 1.47 0.12 0.00 2.80 0.00 -1.00 -3.39 119.26 119.26 2r3r h ALA 151 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2r3r h ALA 151 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2r3r h ALA 151 CO 0.04 0.25 -1.22 1.19 0.00 0.00 0.00 179.25 179.50 2r3r n PHE 152 N -4.35 0.00 0.00 0.00 3.72 0.17 -4.58 117.46 112.41 2r3r n PHE 152 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2r3r n PHE 152 Cb 0.56 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 2r3r n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2r3r n GLY 153 N 1.83 0.17 3.10 1.37 0.00 0.28 -4.91 105.19 107.02 2r3r n GLY 153 Ca -0.01 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 2r3r n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r3r s VAL 154 N -2.03 2.42 0.72 1.61 1.01 -1.26 -4.59 120.40 118.29 2r3r s VAL 154 Ca 0.00 -1.63 -0.11 0.00 0.00 0.00 0.00 61.98 60.24 2r3r s VAL 154 Cb 0.00 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.96 2r3r s VAL 154 CO 0.00 -0.10 1.07 -2.16 0.00 0.00 0.00 175.10 173.91 2r3r s PRO 155 N 1.13 2.70 0.11 2.72 0.04 -1.26 -4.98 135.00 135.45 2r3r s PRO 155 Ca -0.06 0.75 -0.11 0.00 0.04 0.00 0.00 61.00 61.62 2r3r s PRO 155 Cb -0.20 -1.98 -0.15 0.00 0.04 0.00 0.00 34.50 32.21 2r3r s PRO 155 CO -0.04 -1.22 1.28 0.28 0.04 0.00 0.00 177.00 177.34 2r3r h VAL 156 N -0.80 1.30 -3.56 -0.36 2.07 -1.95 -3.43 116.25 109.53 2r3r h VAL 156 Ca -0.45 -2.15 -0.47 0.00 0.82 0.00 0.00 66.70 64.45 2r3r h VAL 156 Cb 1.23 2.19 -0.19 0.00 -1.52 0.00 0.00 31.29 33.00 2r3r h VAL 156 CO 0.59 0.67 -0.78 -0.13 0.02 0.00 0.00 177.57 177.94 2r3r s ARG 157 N -3.53 1.11 0.87 1.57 1.81 -1.26 -1.35 118.95 118.18 2r3r s ARG 157 Ca -0.09 -1.27 -0.13 0.00 -1.72 0.00 0.00 55.73 52.52 2r3r s ARG 157 Cb 0.08 -1.12 0.13 0.00 -0.45 0.00 0.00 34.95 33.59 2r3r s ARG 157 CO 0.90 0.23 1.23 0.95 -0.68 0.00 0.00 175.30 177.93 2r3r s THR 158 N -1.90 2.01 0.23 0.02 -4.23 0.64 -4.83 115.64 107.58 2r3r s THR 158 Ca 0.10 -0.02 0.32 0.00 -1.18 0.00 0.00 61.69 60.92 2r3r s THR 158 Cb -0.06 -2.99 0.32 0.00 1.34 0.00 0.00 72.50 71.10 2r3r s THR 158 CO 0.04 0.00 1.98 0.10 -0.54 0.00 0.00 174.62 176.21 2r3r h TYR 159 N -1.29 0.00 -0.02 3.99 -0.00 -1.79 0.46 116.97 118.32 2r3r h TYR 159 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.28 2r3r h TYR 159 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.02 2r3r h TYR 159 CO -0.32 0.00 -0.21 0.25 -0.00 0.00 0.00 178.16 177.87 2r3r n THR 160 N -2.65 0.00 -0.99 -0.90 -2.24 -1.26 -4.93 114.28 101.31 2r3r n THR 160 Ca -0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2r3r n THR 160 Cb 0.07 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 2r3r n THR 160 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2r3r n HIS 161 N 0.03 0.00 -2.02 4.78 8.25 0.16 -5.02 115.22 121.41 2r3r n HIS 161 Ca 0.13 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.19 2r3r n HIS 161 Cb 0.42 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.52 2r3r n HIS 161 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2r3r s GLU 162 N -0.01 4.16 0.13 -0.41 2.12 -1.26 -4.56 118.70 118.87 2r3r s GLU 162 Ca 0.00 2.28 -0.31 0.00 0.36 0.00 0.00 54.97 57.31 2r3r s GLU 162 Cb 0.00 -2.94 -0.08 0.00 0.26 0.00 0.00 34.13 31.37 2r3r s GLU 162 CO 0.00 -0.38 1.29 0.08 -0.54 0.00 0.00 175.26 175.72 2r3r s VAL 163 N -1.17 3.50 -0.12 3.70 1.01 -1.26 -0.26 120.40 125.80 2r3r s VAL 163 Ca 0.52 1.14 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 2r3r s VAL 163 Cb -0.41 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 2r3r s VAL 163 CO 0.54 0.12 1.10 -0.69 0.00 0.00 0.00 175.10 176.18 2r3r s VAL 164 N 0.67 4.54 0.36 2.92 1.01 -0.45 -4.88 120.40 124.56 2r3r s VAL 164 Ca 0.59 1.84 -0.28 0.00 0.00 0.00 0.00 61.98 64.13 2r3r s VAL 164 Cb -0.34 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 31.74 2r3r s VAL 164 CO 0.33 -0.05 1.48 0.28 0.00 0.00 0.00 175.10 177.14 2r3r s THR 165 N 2.46 2.14 -1.74 3.92 -1.32 -1.26 -4.92 115.64 114.91 2r3r s THR 165 Ca 0.51 0.13 0.23 0.00 -1.21 0.00 0.00 61.69 61.35 2r3r s THR 165 Cb -0.20 -3.09 -0.03 0.00 -1.51 0.00 0.00 72.50 67.67 2r3r s THR 165 CO 0.17 0.03 1.10 0.18 -2.21 0.00 0.00 174.62 173.89 2r3r n LEU 166 N 0.75 1.65 0.02 9.08 4.77 -1.26 -4.63 117.00 127.38 2r3r n LEU 166 Ca 0.02 -0.63 0.20 0.00 -0.03 0.00 0.00 56.01 55.57 2r3r n LEU 166 Cb 0.39 -0.02 0.70 0.00 -2.33 0.00 0.00 43.42 42.16 2r3r n LEU 166 CO 0.63 0.32 1.18 -0.50 -1.33 0.00 0.00 177.39 177.70 2r3r h TRP 167 N 1.69 0.00 -0.35 -1.77 4.06 -1.82 -1.82 115.95 115.95 2r3r h TRP 167 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2r3r h TRP 167 Cb 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.83 2r3r h TRP 167 CO 0.00 0.00 0.00 0.66 -3.56 0.00 0.00 178.44 175.54 2r3r n TYR 168 N -4.30 0.55 -2.53 0.49 4.01 -1.26 -4.55 117.16 109.56 2r3r n TYR 168 Ca 0.09 -0.55 -0.42 0.00 -0.16 0.00 0.00 57.90 56.87 2r3r n TYR 168 Cb 0.59 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.53 2r3r n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2r3r s ARG 169 N -1.22 4.51 0.59 -0.72 3.52 -0.68 -3.93 118.95 121.02 2r3r s ARG 169 Ca 0.26 1.65 -0.18 0.00 -0.13 0.00 0.00 55.73 57.33 2r3r s ARG 169 Cb 0.15 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 30.14 2r3r s ARG 169 CO 0.15 -0.12 1.17 0.00 -0.81 0.00 0.00 175.30 175.70 2r3r s ALA 170 N 0.76 2.55 0.38 6.12 0.00 -1.26 -4.90 121.76 125.42 2r3r s ALA 170 Ca 0.55 0.88 0.08 0.00 0.00 0.00 0.00 51.96 53.47 2r3r s ALA 170 Cb -0.27 -3.41 0.75 0.00 0.00 0.00 0.00 23.12 20.19 2r3r s ALA 170 CO 0.30 -1.10 1.91 -1.00 0.00 0.00 0.00 175.76 175.87 2r3r h PRO 171 N 0.80 0.31 -0.15 0.00 0.13 -1.95 -1.80 132.00 129.34 2r3r h PRO 171 Ca -0.50 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.53 2r3r h PRO 171 Cb 1.28 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2r3r h PRO 171 CO 0.55 0.41 -0.08 1.05 -0.23 0.00 0.00 178.00 179.71 2r3r h GLU 172 N 0.29 0.22 -0.14 0.86 9.09 -1.92 0.61 114.58 123.60 2r3r h GLU 172 Ca 0.06 -0.04 -0.07 0.00 0.05 0.00 0.00 59.36 59.36 2r3r h GLU 172 Cb 0.35 -0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 27.42 2r3r h GLU 172 CO 0.02 0.32 -0.20 0.82 0.05 0.00 0.00 179.01 180.01 2r3r h ILE 173 N 0.22 1.36 0.00 -1.06 2.04 -1.62 -0.77 117.51 117.68 2r3r h ILE 173 Ca 0.05 -1.42 -0.02 0.00 1.00 0.00 0.00 64.86 64.47 2r3r h ILE 173 Cb 0.28 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2r3r h ILE 173 CO 0.01 0.42 -0.07 -0.07 0.00 0.00 0.00 178.15 178.44 2r3r h LEU 174 N -0.00 0.00 -1.07 1.44 3.38 -1.07 -1.65 115.31 116.34 2r3r h LEU 174 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2r3r h LEU 174 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2r3r h LEU 174 CO 0.05 0.07 0.00 0.18 0.09 0.00 0.00 178.44 178.83 2r3r n LEU 175 N -4.44 1.62 0.00 1.67 4.77 0.15 -4.85 117.00 115.92 2r3r n LEU 175 Ca -0.03 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 2r3r n LEU 175 Cb 0.15 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2r3r n LEU 175 CO 0.35 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 2r3r n GLY 176 N 1.15 0.78 3.69 -0.72 0.00 -0.62 -0.51 105.19 108.96 2r3r n GLY 176 Ca 0.17 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2r3r n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r3r h LYS 178 N 8.09 0.00 -1.70 0.00 1.57 -1.95 -3.39 116.57 119.19 2r3r h LYS 178 Ca -0.42 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.74 2r3r h LYS 178 Cb 1.20 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.11 2r3r h LYS 178 CO 0.92 0.70 -0.43 0.66 -0.57 0.00 0.00 179.45 180.73 2r3r n TYR 179 N -3.20 3.43 -0.71 -1.35 4.01 -1.26 -5.05 117.16 113.02 2r3r n TYR 179 Ca -0.04 -3.11 -0.29 0.00 -0.16 0.00 0.00 57.90 54.29 2r3r n TYR 179 Cb 0.91 -0.31 0.21 0.00 -0.31 0.00 0.00 39.34 39.83 2r3r n TYR 179 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 2r3r s TYR 180 N -3.63 1.60 0.28 -0.72 -0.85 -1.26 -5.05 117.35 107.73 2r3r s TYR 180 Ca 0.48 1.38 0.00 0.00 -0.52 0.00 0.00 57.07 58.42 2r3r s TYR 180 Cb 0.38 -3.19 0.00 0.00 0.38 0.00 0.00 41.96 39.54 2r3r s TYR 180 CO -0.21 -3.29 0.01 -1.13 -1.52 0.00 0.00 175.55 169.40 2r3r n SER 181 N -4.53 2.77 0.31 -0.18 3.41 -1.26 -5.01 113.62 109.13 2r3r n SER 181 Ca 0.06 -2.24 0.20 0.00 -0.26 0.00 0.00 58.87 56.64 2r3r n SER 181 Cb 0.54 0.19 1.08 0.00 -0.26 0.00 0.00 64.21 65.76 2r3r n SER 181 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2r3r h THR 182 N 1.13 0.00 0.00 6.66 1.35 -1.96 -1.47 112.91 118.61 2r3r h THR 182 Ca -0.23 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2r3r h THR 182 Cb 0.71 0.88 -0.00 0.00 -1.73 0.00 0.00 68.15 68.01 2r3r h THR 182 CO 0.39 0.00 -0.02 0.00 -0.25 0.00 0.00 175.52 175.64 2r3r h ALA 183 N 1.94 1.37 0.00 6.62 0.00 -1.94 -1.46 119.26 125.79 2r3r h ALA 183 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2r3r h ALA 183 Cb 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2r3r h ALA 183 CO 0.00 0.02 -0.20 -0.39 0.00 0.00 0.00 179.25 178.69 2r3r h VAL 184 N 0.00 1.02 0.01 0.00 -1.51 -1.66 -1.91 116.25 112.19 2r3r h VAL 184 Ca -0.00 -0.71 -0.20 0.00 -1.23 0.00 0.00 66.70 64.56 2r3r h VAL 184 Cb 0.06 1.39 -0.03 0.00 -2.13 0.00 0.00 31.29 30.59 2r3r h VAL 184 CO 0.00 0.19 -0.94 0.44 -1.23 0.00 0.00 177.57 176.04 2r3r h ASP 185 N 0.00 0.03 -0.56 4.19 3.32 -1.48 -2.54 116.42 119.38 2r3r h ASP 185 Ca -0.00 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.94 2r3r h ASP 185 Cb 0.38 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2r3r h ASP 185 CO 0.03 0.95 0.03 0.40 -1.72 0.00 0.00 179.24 178.93 2r3r h ILE 186 N 0.01 1.26 -0.01 0.35 1.08 -1.45 -0.88 117.51 117.87 2r3r h ILE 186 Ca -0.02 -1.07 0.01 0.00 -0.39 0.00 0.00 64.86 63.40 2r3r h ILE 186 Cb 1.65 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 36.23 2r3r h ILE 186 CO 0.12 0.38 -0.06 -0.25 -0.69 0.00 0.00 178.15 177.66 2r3r h TRP 187 N 0.85 -0.15 -0.38 1.37 2.91 -1.29 -0.25 115.95 119.02 2r3r h TRP 187 Ca 0.16 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.21 2r3r h TRP 187 Cb 0.50 0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 29.18 2r3r h TRP 187 CO 0.04 -0.10 0.20 0.77 -1.03 0.00 0.00 178.44 178.32 2r3r h SER 188 N -0.10 0.31 0.02 2.65 0.02 -1.21 -1.46 113.55 113.76 2r3r h SER 188 Ca 0.03 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 2r3r h SER 188 Cb 0.14 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2r3r h SER 188 CO -0.07 0.22 -0.10 0.25 -1.14 0.00 0.00 176.83 175.99 2r3r h LEU 189 N 0.41 0.19 -0.56 5.07 5.85 -0.94 -1.43 115.31 123.89 2r3r h LEU 189 Ca 0.16 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 2r3r h LEU 189 Cb 0.05 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2r3r h LEU 189 CO -0.10 0.32 0.11 1.23 -0.34 0.00 0.00 178.44 179.66 2r3r h GLY 190 N 0.65 0.99 1.22 3.75 0.00 -0.13 0.49 103.07 110.05 2r3r h GLY 190 Ca 0.04 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 2r3r h GLY 190 CO 0.02 0.60 0.44 0.00 0.00 0.00 0.00 176.54 177.60 2r3r h ILE 192 N 1.05 1.30 -0.15 0.00 2.04 -0.75 -2.13 117.51 118.86 2r3r h ILE 192 Ca 0.27 -1.90 0.02 0.00 1.00 0.00 0.00 64.86 64.25 2r3r h ILE 192 Cb -0.02 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 2r3r h ILE 192 CO -0.05 0.60 0.03 0.15 0.00 0.00 0.00 178.15 178.88 2r3r h PHE 193 N 0.51 0.05 -0.67 1.37 3.57 -0.60 -0.23 116.94 120.94 2r3r h PHE 193 Ca -0.02 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2r3r h PHE 193 Cb 1.27 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.97 2r3r h PHE 193 CO 0.07 0.02 0.30 0.00 -2.23 0.00 0.00 178.31 176.47 2r3r h ALA 194 N 1.11 1.26 -0.55 2.41 0.00 -1.20 -2.18 119.26 120.11 2r3r h ALA 194 Ca 0.07 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 2r3r h ALA 194 Cb 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2r3r h ALA 194 CO -0.09 0.56 -0.08 1.49 0.00 0.00 0.00 179.25 181.13 2r3r h GLU 195 N 0.96 1.02 -0.73 0.00 4.81 -0.84 -0.21 114.58 119.59 2r3r h GLU 195 Ca 0.23 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 2r3r h GLU 195 Cb 0.14 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 2r3r h GLU 195 CO -0.03 1.04 0.39 0.52 -0.73 0.00 0.00 179.01 180.20 2r3r h MET 196 N 0.91 1.03 -0.17 1.92 2.86 -0.50 0.39 114.93 121.37 2r3r h MET 196 Ca 0.15 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 2r3r h MET 196 Cb 0.64 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 2r3r h MET 196 CO 0.04 0.78 -0.16 0.28 1.06 0.00 0.00 176.91 178.91 2r3r h VAL 197 N 1.01 1.34 0.00 -2.22 2.07 -1.08 -3.35 116.25 114.02 2r3r h VAL 197 Ca 0.26 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.46 2r3r h VAL 197 Cb 0.06 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2r3r h VAL 197 CO -0.04 0.39 -0.94 0.35 0.02 0.00 0.00 177.57 177.36 2r3r n THR 198 N -4.51 0.34 -1.50 2.57 -2.24 -0.12 -4.85 114.28 103.97 2r3r n THR 198 Ca -0.06 -0.34 -0.10 0.00 -2.27 0.00 0.00 64.05 61.28 2r3r n THR 198 Cb 0.38 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 2r3r n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2r3r n ARG 199 N -2.20 -0.73 -3.80 -0.78 1.74 0.12 -5.01 116.66 105.99 2r3r n ARG 199 Ca 0.02 0.78 -0.12 0.00 -0.77 0.00 0.00 57.85 57.75 2r3r n ARG 199 Cb 0.47 -4.74 -0.11 0.00 -1.02 0.00 0.00 32.46 27.06 2r3r n ARG 199 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2r3r s ARG 200 N -3.23 0.39 0.43 5.56 3.52 -1.23 -5.07 118.95 119.32 2r3r s ARG 200 Ca 0.00 0.10 -0.26 0.00 -0.13 0.00 0.00 55.73 55.44 2r3r s ARG 200 Cb 0.00 0.18 -0.09 0.00 -1.56 0.00 0.00 34.95 33.48 2r3r s ARG 200 CO 0.00 -0.08 1.41 0.00 -0.81 0.00 0.00 175.30 175.82 2r3r s ALA 201 N -0.44 3.29 -0.02 6.12 0.00 -1.26 -4.21 121.76 125.24 2r3r s ALA 201 Ca -0.05 1.43 -0.25 0.00 0.00 0.00 0.00 51.96 53.08 2r3r s ALA 201 Cb -0.04 -3.57 -0.20 0.00 0.00 0.00 0.00 23.12 19.32 2r3r s ALA 201 CO 0.01 -1.09 1.22 1.25 0.00 0.00 0.00 175.76 177.16 2r3r h LEU 202 N 2.50 0.08 -6.46 0.00 5.85 -1.92 -3.40 115.31 111.97 2r3r h LEU 202 Ca -0.51 -0.55 -0.59 0.00 0.84 0.00 0.00 57.88 57.07 2r3r h LEU 202 Cb 1.26 -0.02 -0.40 0.00 0.37 0.00 0.00 40.66 41.87 2r3r h LEU 202 CO 0.62 0.61 -0.85 0.49 -0.34 0.00 0.00 178.44 178.98 2r3r n PHE 203 N -4.76 0.89 -1.66 1.25 3.72 -1.26 -5.03 117.46 110.61 2r3r n PHE 203 Ca -0.08 -3.73 -0.41 0.00 -0.05 0.00 0.00 57.45 53.18 2r3r n PHE 203 Cb 0.31 -0.20 -0.01 0.00 -0.94 0.00 0.00 39.48 38.63 2r3r n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2r3r n PRO 204 N 2.06 3.55 -2.18 -1.08 -0.04 -1.26 -4.36 135.00 131.69 2r3r n PRO 204 Ca 0.26 -2.67 -0.36 0.00 -0.04 0.00 0.00 63.50 60.69 2r3r n PRO 204 Cb 0.45 -2.95 0.01 0.00 -0.04 0.00 0.00 33.50 30.97 2r3r n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2r3r s GLY 205 N 2.08 2.69 -0.08 0.55 0.00 -1.26 -4.96 107.32 106.34 2r3r s GLY 205 Ca 0.57 0.90 0.12 0.00 0.00 0.00 0.00 44.72 46.31 2r3r s GLY 205 CO -0.07 1.28 1.12 2.09 0.00 0.00 0.00 173.10 177.53 2r3r n ASP 206 N -1.27 2.36 -3.72 1.64 5.75 -1.26 -4.61 116.55 115.44 2r3r n ASP 206 Ca 0.12 -2.64 -0.05 0.00 -0.01 0.00 0.00 54.79 52.20 2r3r n ASP 206 Cb 0.50 -0.28 -0.02 0.00 -1.03 0.00 0.00 41.12 40.30 2r3r n ASP 206 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2r3r s SER 207 N -2.05 -0.23 0.19 -1.12 1.04 -1.26 -5.00 113.70 105.27 2r3r s SER 207 Ca 0.21 -0.35 -0.10 0.00 0.48 0.00 0.00 55.95 56.18 2r3r s SER 207 Cb 0.18 0.51 0.12 0.00 0.10 0.00 0.00 66.02 66.93 2r3r s SER 207 CO 0.03 -0.92 1.78 -0.33 0.98 0.00 0.00 173.24 174.78 2r3r h GLU 208 N 2.00 1.02 -0.09 4.02 5.08 -1.99 0.58 114.58 125.20 2r3r h GLU 208 Ca -0.23 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 57.82 2r3r h GLU 208 Cb 1.24 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2r3r h GLU 208 CO 0.26 0.80 -0.60 0.97 -1.00 0.00 0.00 179.01 179.44 2r3r h ILE 209 N 0.98 1.38 -0.49 3.13 6.09 -1.97 -1.17 117.51 125.46 2r3r h ILE 209 Ca 0.24 -1.96 -0.07 0.00 -1.37 0.00 0.00 64.86 61.70 2r3r h ILE 209 Cb 0.13 1.98 -0.02 0.00 0.47 0.00 0.00 36.82 39.37 2r3r h ILE 209 CO -0.03 0.58 0.03 -0.78 -3.07 0.00 0.00 178.15 174.88 2r3r h ASP 210 N 0.22 0.82 0.04 2.19 3.58 -1.88 0.18 116.42 121.57 2r3r h ASP 210 Ca -0.01 -0.29 -0.00 0.00 0.42 0.00 0.00 57.03 57.15 2r3r h ASP 210 Cb 1.12 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.95 2r3r h ASP 210 CO 0.10 0.91 -0.02 -0.61 -2.88 0.00 0.00 179.24 176.73 2r3r h GLN 211 N 0.70 -0.06 -0.45 0.28 5.75 -0.61 -0.39 115.11 120.33 2r3r h GLN 211 Ca 0.14 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.68 2r3r h GLN 211 Cb 0.47 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.00 2r3r h GLN 211 CO 0.02 -0.02 0.23 1.25 -2.65 0.00 0.00 178.83 177.67 2r3r h LEU 212 N -0.08 0.34 -1.09 -2.39 5.85 -1.05 -1.88 115.31 115.00 2r3r h LEU 212 Ca -0.01 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 2r3r h LEU 212 Cb 0.07 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2r3r h LEU 212 CO 0.01 0.24 -0.42 -0.26 -0.34 0.00 0.00 178.44 177.68 2r3r h PHE 213 N 0.46 0.00 -0.50 1.25 0.04 -0.49 -0.50 116.94 117.21 2r3r h PHE 213 Ca 0.19 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.84 2r3r h PHE 213 Cb 0.09 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 2r3r h PHE 213 CO -0.10 0.42 -0.17 0.00 -0.60 0.00 0.00 178.31 177.86 2r3r h ARG 214 N 0.00 0.98 -0.29 1.51 3.08 -0.76 -0.05 114.38 118.85 2r3r h ARG 214 Ca -0.00 -0.39 -0.03 0.00 0.07 0.00 0.00 59.98 59.63 2r3r h ARG 214 Cb 0.81 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 2r3r h ARG 214 CO 0.05 1.06 0.07 0.82 -1.07 0.00 0.00 179.97 180.90 2r3r h ILE 215 N 0.86 1.22 -0.66 2.04 2.04 -0.77 -2.95 117.51 119.28 2r3r h ILE 215 Ca 0.12 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 2r3r h ILE 215 Cb 0.73 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 2r3r h ILE 215 CO 0.06 0.24 0.29 -0.26 0.00 0.00 0.00 178.15 178.47 2r3r h PHE 216 N 0.30 0.95 0.00 1.37 0.04 -0.82 0.57 116.94 119.35 2r3r h PHE 216 Ca 0.09 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 2r3r h PHE 216 Cb 0.29 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2r3r h PHE 216 CO 0.01 0.71 -0.19 0.00 -0.60 0.00 0.00 178.31 178.25 2r3r h ARG 217 N 0.94 0.00 0.02 1.51 3.08 -0.89 0.20 114.38 119.24 2r3r h ARG 217 Ca 0.23 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.93 2r3r h ARG 217 Cb 0.14 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.14 2r3r h ARG 217 CO -0.03 0.19 -1.91 2.41 -1.07 0.00 0.00 179.97 179.57 2r3r n THR 218 N -3.68 1.56 1.12 2.04 -1.04 -0.99 -4.59 114.28 108.70 2r3r n THR 218 Ca -0.01 -0.28 0.12 0.00 -2.04 0.00 0.00 64.05 61.84 2r3r n THR 218 Cb 0.31 -1.89 0.17 0.00 -1.82 0.00 0.00 70.33 67.10 2r3r n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2r3r n LEU 219 N -4.14 1.84 0.00 -4.42 4.77 0.16 -0.66 117.00 114.54 2r3r n LEU 219 Ca -0.41 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 2r3r n LEU 219 Cb 0.83 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 2r3r n LEU 219 CO 0.17 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2r3r n GLY 220 N 1.36 0.23 3.69 -0.72 0.00 0.70 -4.46 105.19 106.00 2r3r n GLY 220 Ca 0.12 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 2r3r n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r3r s THR 221 N -2.38 3.38 0.53 2.61 2.01 -0.45 -4.57 115.64 116.77 2r3r s THR 221 Ca 0.00 0.82 -0.20 0.00 0.31 0.00 0.00 61.69 62.62 2r3r s THR 221 Cb 0.00 -3.53 -0.06 0.00 0.01 0.00 0.00 72.50 68.92 2r3r s THR 221 CO 0.00 0.01 1.17 -2.16 -0.69 0.00 0.00 174.62 172.95 2r3r s PRO 222 N 2.32 3.38 0.27 4.92 0.04 -1.26 -4.85 135.00 139.81 2r3r s PRO 222 Ca 0.68 1.74 0.05 0.00 0.04 0.00 0.00 61.00 63.51 2r3r s PRO 222 Cb -0.36 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 2r3r s PRO 222 CO 0.29 -0.86 0.24 -0.40 0.04 0.00 0.00 177.00 176.32 2r3r n ASP 223 N -1.10 -0.62 0.29 6.66 5.68 -1.26 -4.99 116.55 121.20 2r3r n ASP 223 Ca 0.11 -2.72 0.17 0.00 -0.50 0.00 0.00 54.79 51.84 2r3r n ASP 223 Cb 0.49 1.41 0.87 0.00 -1.14 0.00 0.00 41.12 42.75 2r3r n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2r3r h GLU 224 N 0.00 0.00 0.31 0.11 4.39 -1.97 -0.31 114.58 117.10 2r3r h GLU 224 Ca -0.19 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 2r3r h GLU 224 Cb 0.95 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.61 2r3r h GLU 224 CO 0.27 0.05 -0.15 0.28 -1.16 0.00 0.00 179.01 178.31 2r3r h VAL 225 N 0.00 0.67 0.00 3.13 2.07 -1.99 -3.01 116.25 117.11 2r3r h VAL 225 Ca -0.00 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 2r3r h VAL 225 Cb 0.26 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2r3r h VAL 225 CO 0.01 0.12 -0.32 -0.37 0.02 0.00 0.00 177.57 177.03 2r3r h VAL 226 N -0.80 0.42 -2.10 2.57 -1.51 -1.95 -3.41 116.25 109.47 2r3r h VAL 226 Ca -0.04 -1.60 -0.49 0.00 -1.23 0.00 0.00 66.70 63.33 2r3r h VAL 226 Cb 0.51 2.18 -0.34 0.00 -2.13 0.00 0.00 31.29 31.52 2r3r h VAL 226 CO 0.07 0.24 -0.86 0.86 -1.23 0.00 0.00 177.57 176.65 2r3r s TRP 227 N -3.09 0.46 0.10 5.19 -0.11 -0.14 -4.36 118.94 116.99 2r3r s TRP 227 Ca 0.05 -1.84 -0.35 0.00 1.22 0.00 0.00 56.10 55.18 2r3r s TRP 227 Cb 0.06 -0.65 -0.14 0.00 -1.50 0.00 0.00 33.47 31.25 2r3r s TRP 227 CO 0.71 -0.92 1.58 -2.30 -4.62 0.00 0.00 176.95 171.40 2r3r n PRO 228 N 3.06 1.94 -0.05 5.86 -0.02 -1.14 -1.42 135.00 143.24 2r3r n PRO 228 Ca 0.25 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2r3r n PRO 228 Cb 0.48 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2r3r n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r3r n GLY 229 N 3.41 0.70 0.38 -1.23 0.00 -1.26 -4.95 105.19 102.23 2r3r n GLY 229 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 2r3r n GLY 229 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2r3r h VAL 230 N 0.00 1.25 0.00 1.61 3.04 -1.54 -1.65 116.25 118.95 2r3r h VAL 230 Ca 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 2r3r h VAL 230 Cb 0.00 -0.20 0.00 0.00 -2.01 0.00 0.00 31.29 29.08 2r3r h VAL 230 CO 0.00 0.24 0.00 0.35 -1.01 0.00 0.00 177.57 177.15 2r3r n THR 231 N -4.39 1.08 -0.32 3.17 -2.24 -1.26 -1.87 114.28 108.45 2r3r n THR 231 Ca 0.12 0.28 0.11 0.00 -2.27 0.00 0.00 64.05 62.29 2r3r n THR 231 Cb 0.02 -1.09 0.30 0.00 -2.10 0.00 0.00 70.33 67.46 2r3r n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2r3r n SER 232 N -1.63 3.82 -4.78 3.42 7.64 -0.62 -4.87 113.62 116.61 2r3r n SER 232 Ca 0.03 -2.00 -0.37 0.00 1.01 0.00 0.00 58.87 57.54 2r3r n SER 232 Cb 0.16 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 62.88 2r3r n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2r3r s MET 233 N -1.02 4.05 0.25 1.43 -1.94 -0.78 -4.96 119.30 116.32 2r3r s MET 233 Ca 0.46 1.57 -0.07 0.00 -1.71 0.00 0.00 55.69 55.94 2r3r s MET 233 Cb 0.24 -2.49 0.45 0.00 2.01 0.00 0.00 34.83 35.04 2r3r s MET 233 CO 0.31 -0.26 1.63 -1.35 -0.01 0.00 0.00 175.02 175.34 2r3r h PRO 234 N 2.35 0.08 -0.71 2.03 0.11 -1.80 -2.04 132.00 132.02 2r3r h PRO 234 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2r3r h PRO 234 Cb 1.22 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2r3r h PRO 234 CO 0.62 0.06 0.00 -0.25 -0.21 0.00 0.00 178.00 178.21 2r3r n ASP 235 N -5.37 4.14 -4.76 -2.05 8.00 0.34 -4.94 116.55 111.91 2r3r n ASP 235 Ca 0.14 -2.10 -0.40 0.00 0.71 0.00 0.00 54.79 53.13 2r3r n ASP 235 Cb 0.49 -0.51 -0.04 0.00 -0.02 0.00 0.00 41.12 41.04 2r3r n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2r3r s TYR 236 N -1.19 3.59 -0.07 1.24 5.04 -0.77 -4.94 117.35 120.24 2r3r s TYR 236 Ca 0.49 1.69 0.02 0.00 -2.44 0.00 0.00 57.07 56.84 2r3r s TYR 236 Cb 0.27 -3.28 0.01 0.00 0.35 0.00 0.00 41.96 39.32 2r3r s TYR 236 CO 0.31 -0.54 -0.13 0.15 -1.34 0.00 0.00 175.55 174.01 2r3r s LYS 237 N -1.33 1.79 0.60 4.97 -0.14 -1.26 -4.93 119.74 119.44 2r3r s LYS 237 Ca 0.45 -0.43 0.37 0.00 -1.36 0.00 0.00 55.97 55.00 2r3r s LYS 237 Cb -0.32 -1.50 2.02 0.00 -1.68 0.00 0.00 37.83 36.36 2r3r s LYS 237 CO 0.40 0.00 2.13 -1.35 -0.76 0.00 0.00 175.35 175.78 2r3r h PRO 238 N 7.09 0.00 -0.04 -1.68 0.11 -1.96 -0.73 132.00 134.79 2r3r h PRO 238 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2r3r h PRO 238 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2r3r h PRO 238 CO 0.47 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.13 2r3r n SER 239 N -2.87 0.63 -4.76 -2.05 3.41 -1.26 -4.87 113.62 101.85 2r3r n SER 239 Ca -0.02 -1.41 -0.40 0.00 -0.26 0.00 0.00 58.87 56.78 2r3r n SER 239 Cb 0.13 -0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.08 2r3r n SER 239 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2r3r n PHE 240 N -0.42 2.70 -2.06 7.33 3.72 -0.28 -4.94 117.46 123.51 2r3r n PHE 240 Ca 0.17 0.44 -0.35 0.00 -0.05 0.00 0.00 57.45 57.66 2r3r n PHE 240 Cb 0.18 -2.46 0.02 0.00 -0.94 0.00 0.00 39.48 36.29 2r3r n PHE 240 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2r3r s PRO 241 N -2.47 3.08 -0.59 -1.08 0.02 -1.26 -4.96 135.00 127.73 2r3r s PRO 241 Ca 0.62 1.66 -0.14 0.00 0.02 0.00 0.00 61.00 63.16 2r3r s PRO 241 Cb -0.45 -1.96 0.15 0.00 0.02 0.00 0.00 34.50 32.26 2r3r s PRO 241 CO 0.57 -1.08 0.53 0.15 -0.33 0.00 0.00 177.00 176.84 2r3r s LYS 242 N -3.46 3.01 0.12 5.54 -0.14 -1.26 -4.78 119.74 118.78 2r3r s LYS 242 Ca 0.74 -1.92 -0.02 0.00 -1.36 0.00 0.00 55.97 53.41 2r3r s LYS 242 Cb -0.26 -4.24 -0.05 0.00 -1.68 0.00 0.00 37.83 31.61 2r3r s LYS 242 CO 0.32 -1.29 0.31 -1.58 -0.76 0.00 0.00 175.35 172.35 2r3r s TRP 243 N 1.17 3.49 0.37 3.18 0.51 -1.26 -4.92 118.94 121.48 2r3r s TRP 243 Ca 0.07 0.38 -0.11 0.00 -2.12 0.00 0.00 56.10 54.32 2r3r s TRP 243 Cb -0.24 -1.86 -0.07 0.00 -0.81 0.00 0.00 33.47 30.48 2r3r s TRP 243 CO -0.01 0.49 0.74 0.00 -0.51 0.00 0.00 176.95 177.66 2r3r s ALA 244 N -1.64 3.36 0.28 0.98 0.00 -1.26 -1.34 121.76 122.14 2r3r s ALA 244 Ca 0.38 -0.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.89 2r3r s ALA 244 Cb -0.12 -2.69 -0.09 0.00 0.00 0.00 0.00 23.12 20.21 2r3r s ALA 244 CO 0.27 0.11 1.04 0.50 0.00 0.00 0.00 175.76 177.68 2r3r s ARG 245 N -3.58 4.67 0.26 0.00 3.52 -1.26 -4.01 118.95 118.56 2r3r s ARG 245 Ca 0.51 1.67 -0.02 0.00 -0.13 0.00 0.00 55.73 57.77 2r3r s ARG 245 Cb -0.10 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 2r3r s ARG 245 CO 0.27 0.29 0.48 -0.65 -0.81 0.00 0.00 175.30 174.88 2r3r s GLN 246 N -1.46 3.54 0.30 5.12 -0.21 0.17 -4.89 119.66 122.23 2r3r s GLN 246 Ca 0.44 -0.24 -0.29 0.00 0.02 0.00 0.00 55.36 55.29 2r3r s GLN 246 Cb -0.29 -2.74 -0.09 0.00 1.00 0.00 0.00 33.01 30.89 2r3r s GLN 246 CO 0.37 0.29 1.10 -0.51 -2.12 0.00 0.00 175.29 174.41 2r3r s ASP 247 N -3.38 7.18 0.63 5.90 1.01 -1.26 -4.88 116.67 121.87 2r3r s ASP 247 Ca 0.40 2.25 0.41 0.00 0.71 0.00 0.00 52.55 56.32 2r3r s ASP 247 Cb -0.11 -2.62 2.14 0.00 1.01 0.00 0.00 42.92 43.34 2r3r s ASP 247 CO 0.31 -0.20 2.27 -0.26 0.21 0.00 0.00 175.17 177.50 2r3r h PHE 248 N 3.62 0.00 0.00 4.23 -1.00 -1.96 -0.93 116.94 120.89 2r3r h PHE 248 Ca -0.47 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.26 2r3r h PHE 248 Cb 1.21 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.77 2r3r h PHE 248 CO 0.58 0.01 -0.23 0.66 -1.61 0.00 0.00 178.31 177.72 2r3r h SER 249 N 0.00 0.00 0.65 2.17 4.64 -1.94 -1.04 113.55 118.03 2r3r h SER 249 Ca -0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 2r3r h SER 249 Cb 0.13 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 2r3r h SER 249 CO 0.00 0.23 -1.40 0.50 -0.87 0.00 0.00 176.83 175.29 2r3r h LYS 250 N 0.00 0.09 -0.01 4.77 3.64 -1.56 -3.30 116.57 120.20 2r3r h LYS 250 Ca -0.00 -0.16 -0.13 0.00 -1.27 0.00 0.00 60.65 59.08 2r3r h LYS 250 Cb 0.47 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.36 2r3r h LYS 250 CO 0.03 0.90 -0.51 0.28 -2.27 0.00 0.00 179.45 177.88 2r3r h VAL 251 N 0.03 1.45 -0.93 2.00 2.07 -1.17 -3.39 116.25 116.30 2r3r h VAL 251 Ca -0.17 -2.03 -0.47 0.00 0.82 0.00 0.00 66.70 64.85 2r3r h VAL 251 Cb 1.93 2.60 -0.42 0.00 -1.52 0.00 0.00 31.29 33.88 2r3r h VAL 251 CO 0.13 0.58 -0.92 1.33 0.02 0.00 0.00 177.57 178.71 2r3r n VAL 252 N -4.29 1.99 -1.90 2.57 0.24 -0.46 -4.99 118.33 111.49 2r3r n VAL 252 Ca -0.10 -3.97 -0.39 0.00 -2.04 0.00 0.00 64.34 57.84 2r3r n VAL 252 Cb 0.63 -0.39 0.02 0.00 -1.47 0.00 0.00 33.84 32.62 2r3r n VAL 252 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2r3r s PRO 253 N -3.55 3.58 -0.63 7.34 0.04 -1.24 -0.77 135.00 139.76 2r3r s PRO 253 Ca 0.42 2.24 0.02 0.00 0.04 0.00 0.00 61.00 63.72 2r3r s PRO 253 Cb 0.40 -2.53 0.38 0.00 0.04 0.00 0.00 34.50 32.79 2r3r s PRO 253 CO -0.04 -0.84 1.44 -0.35 0.04 0.00 0.00 177.00 177.25 2r3r n PRO 254 N -0.42 3.36 -1.88 0.56 -0.04 -1.26 -4.74 135.00 130.57 2r3r n PRO 254 Ca 0.07 -4.26 -0.41 0.00 -0.04 0.00 0.00 63.50 58.86 2r3r n PRO 254 Cb 0.44 -2.27 -0.00 0.00 -0.04 0.00 0.00 33.50 31.62 2r3r n PRO 254 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2r3r s LEU 255 N -3.77 4.30 0.99 1.53 2.96 0.05 -4.99 118.68 119.76 2r3r s LEU 255 Ca 0.49 2.93 -0.14 0.00 -0.22 0.00 0.00 54.13 57.19 2r3r s LEU 255 Cb 0.38 -3.73 0.18 0.00 0.50 0.00 0.00 46.19 43.53 2r3r s LEU 255 CO -0.25 -0.85 1.13 1.51 -1.32 0.00 0.00 176.35 176.57 2r3r s ASP 256 N -0.32 2.77 0.29 3.68 1.47 -1.26 -4.69 116.67 118.61 2r3r s ASP 256 Ca 0.54 0.91 0.00 0.00 1.18 0.00 0.00 52.55 55.18 2r3r s ASP 256 Cb -0.44 -1.42 0.51 0.00 -0.34 0.00 0.00 42.92 41.23 2r3r s ASP 256 CO 0.59 -3.01 1.89 -0.08 0.68 0.00 0.00 175.17 175.24 2r3r h GLU 257 N -1.81 1.03 -0.28 2.11 4.57 -1.99 -0.21 114.58 117.99 2r3r h GLU 257 Ca -0.50 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 57.59 2r3r h GLU 257 Cb 1.32 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 2r3r h GLU 257 CO 0.54 0.68 0.07 -0.44 -1.18 0.00 0.00 179.01 178.69 2r3r h ASP 258 N 1.06 0.42 -0.54 1.04 3.32 -1.97 -0.82 116.42 118.92 2r3r h ASP 258 Ca 0.43 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 57.21 2r3r h ASP 258 Cb 0.26 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2r3r h ASP 258 CO -0.18 0.53 0.16 1.23 -1.72 0.00 0.00 179.24 179.26 2r3r h GLY 259 N 0.28 0.91 1.24 2.75 0.00 -1.71 -1.63 103.07 104.90 2r3r h GLY 259 Ca 0.09 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 2r3r h GLY 259 CO -0.00 0.51 0.11 3.21 0.00 0.00 0.00 176.54 180.38 2r3r h ARG 260 N 0.75 0.95 -0.04 4.80 3.08 -1.02 -0.13 114.38 122.77 2r3r h ARG 260 Ca 0.17 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2r3r h ARG 260 Cb 0.30 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2r3r h ARG 260 CO -0.00 0.86 0.01 1.03 -1.07 0.00 0.00 179.97 180.81 2r3r h SER 261 N 0.90 0.05 -0.17 7.04 0.87 -0.92 -0.13 113.55 121.20 2r3r h SER 261 Ca 0.19 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2r3r h SER 261 Cb 0.37 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 2r3r h SER 261 CO 0.01 0.19 0.10 0.25 -0.53 0.00 0.00 176.83 176.85 2r3r h LEU 262 N -0.10 0.19 -0.33 2.23 5.85 -1.13 -2.15 115.31 119.88 2r3r h LEU 262 Ca 0.01 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.76 2r3r h LEU 262 Cb 0.16 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 2r3r h LEU 262 CO -0.00 0.16 0.04 0.25 -0.34 0.00 0.00 178.44 178.55 2r3r h LEU 263 N 0.21 -0.05 -0.92 2.25 5.85 -0.88 -1.30 115.31 120.46 2r3r h LEU 263 Ca 0.06 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.93 2r3r h LEU 263 Cb 0.00 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 2r3r h LEU 263 CO -0.01 0.01 0.57 -1.28 -0.34 0.00 0.00 178.44 177.39 2r3r h SER 264 N 0.14 0.87 -0.44 1.25 0.87 -0.79 -0.96 113.55 114.50 2r3r h SER 264 Ca 0.16 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 2r3r h SER 264 Cb 0.19 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 2r3r h SER 264 CO -0.23 0.52 0.10 1.56 -0.53 0.00 0.00 176.83 178.25 2r3r h GLN 265 N 0.99 0.77 0.00 2.24 4.20 -0.70 -2.17 115.11 120.44 2r3r h GLN 265 Ca 0.42 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 2r3r h GLN 265 Cb 0.28 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 2r3r h GLN 265 CO -0.21 0.72 -0.04 0.52 -0.67 0.00 0.00 178.83 179.15 2r3r h MET 266 N 0.75 0.00 -0.34 1.46 2.86 -0.19 -2.62 114.93 116.85 2r3r h MET 266 Ca 0.16 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.75 2r3r h MET 266 Cb 0.31 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 2r3r h MET 266 CO 0.00 0.04 0.02 1.28 1.06 0.00 0.00 176.91 179.31 2r3r n LEU 267 N -3.14 4.23 -4.78 1.22 4.77 -0.47 -3.72 117.00 115.12 2r3r n LEU 267 Ca 0.01 -3.17 -0.41 0.00 -0.03 0.00 0.00 56.01 52.41 2r3r n LEU 267 Cb 0.37 -0.59 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 2r3r n LEU 267 CO 0.29 0.79 1.11 -1.00 -1.33 0.00 0.00 177.39 177.25 2r3r s HIS 268 N -2.92 2.69 0.04 -1.77 3.76 -0.93 -4.92 115.29 111.24 2r3r s HIS 268 Ca 0.44 1.20 -0.25 0.00 -0.15 0.00 0.00 55.06 56.30 2r3r s HIS 268 Cb 0.37 -3.96 -0.17 0.00 1.11 0.00 0.00 32.58 29.93 2r3r s HIS 268 CO 0.08 -2.79 1.51 1.88 -0.85 0.00 0.00 174.74 174.57 2r3r h TYR 269 N 3.18 -0.19 -2.83 1.40 0.05 -1.91 -3.42 116.97 113.25 2r3r h TYR 269 Ca -0.50 -0.00 -0.57 0.00 0.05 0.00 0.00 58.73 57.70 2r3r h TYR 269 Cb 1.24 0.06 -0.03 0.00 1.01 0.00 0.00 36.73 39.01 2r3r h TYR 269 CO 0.54 0.04 1.15 0.34 -1.05 0.00 0.00 178.16 179.17 2r3r s ASP 270 N -5.18 6.28 0.57 3.88 -1.08 -1.26 -4.85 116.67 115.03 2r3r s ASP 270 Ca -0.15 1.42 0.27 0.00 -0.52 0.00 0.00 52.55 53.58 2r3r s ASP 270 Cb 0.04 -2.53 1.66 0.00 -1.46 0.00 0.00 42.92 40.63 2r3r s ASP 270 CO 0.63 -1.37 2.18 -0.65 0.52 0.00 0.00 175.17 176.49 2r3r h PRO 271 N 11.13 0.00 0.00 4.34 0.11 -1.96 -0.39 132.00 145.23 2r3r h PRO 271 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2r3r h PRO 271 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2r3r h PRO 271 CO 1.02 0.00 0.00 -0.97 -0.21 0.00 0.00 178.00 177.84 2r3r h ASN 272 N 0.00 0.00 0.21 -2.05 -1.24 -1.96 -3.11 115.58 107.44 2r3r h ASN 272 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 2r3r h ASN 272 Cb 0.18 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.23 2r3r h ASN 272 CO -0.00 0.00 -1.69 0.29 -1.29 0.00 0.00 177.43 174.74 2r3r n LYS 273 N -3.08 0.58 -1.78 6.67 5.02 -0.26 -4.96 118.16 120.35 2r3r n LYS 273 Ca 0.02 -0.11 -0.41 0.00 -2.02 0.00 0.00 58.31 55.79 2r3r n LYS 273 Cb 0.41 -1.58 -0.00 0.00 -0.02 0.00 0.00 35.03 33.84 2r3r n LYS 273 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2r3r s ARG 274 N -3.44 4.09 0.48 1.97 3.52 -0.58 -4.91 118.95 120.09 2r3r s ARG 274 Ca -0.05 2.60 -0.24 0.00 -0.13 0.00 0.00 55.73 57.91 2r3r s ARG 274 Cb 0.13 -2.96 -0.07 0.00 -1.56 0.00 0.00 34.95 30.49 2r3r s ARG 274 CO 0.88 -0.56 1.42 -1.50 -0.81 0.00 0.00 175.30 174.72 2r3r s ILE 275 N -1.06 2.03 0.66 4.11 2.07 -1.00 -5.00 121.20 123.01 2r3r s ILE 275 Ca 0.54 0.02 -0.09 0.00 -1.41 0.00 0.00 60.65 59.71 2r3r s ILE 275 Cb -0.47 -3.01 0.02 0.00 0.13 0.00 0.00 42.46 39.12 2r3r s ILE 275 CO 0.63 0.00 1.01 -0.94 -1.91 0.00 0.00 174.94 173.74 2r3r s SER 276 N -0.62 5.43 0.18 4.50 1.04 -1.26 -4.89 113.70 118.08 2r3r s SER 276 Ca 0.64 0.90 -0.11 0.00 0.48 0.00 0.00 55.95 57.86 2r3r s SER 276 Cb -0.43 -1.76 0.09 0.00 0.10 0.00 0.00 66.02 64.02 2r3r s SER 276 CO 0.54 -1.26 1.75 0.00 0.98 0.00 0.00 173.24 175.25 2r3r h ALA 277 N -0.47 0.82 -0.62 5.32 0.00 -1.93 -0.31 119.26 122.07 2r3r h ALA 277 Ca -0.45 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.26 2r3r h ALA 277 Cb 1.26 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2r3r h ALA 277 CO 0.62 0.42 0.24 -0.22 0.00 0.00 0.00 179.25 180.31 2r3r h LYS 278 N 0.88 0.94 -0.23 0.00 3.64 -1.93 -1.82 116.57 118.06 2r3r h LYS 278 Ca 0.21 -0.18 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 2r3r h LYS 278 Cb 0.18 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2r3r h LYS 278 CO -0.02 0.80 -0.36 0.00 -2.27 0.00 0.00 179.45 177.60 2r3r h ALA 279 N 1.09 0.95 -0.60 5.00 0.00 -1.91 -2.76 119.26 121.03 2r3r h ALA 279 Ca 0.21 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2r3r h ALA 279 Cb 0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2r3r h ALA 279 CO -0.01 0.62 0.30 0.00 0.00 0.00 0.00 179.25 180.15 2r3r h ALA 280 N 1.19 1.38 0.00 0.00 0.00 -0.52 -2.08 119.26 119.24 2r3r h ALA 280 Ca 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2r3r h ALA 280 Cb 0.83 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2r3r h ALA 280 CO 0.07 0.49 -0.04 -0.07 0.00 0.00 0.00 179.25 179.69 2r3r h LEU 281 N 0.85 0.00 -0.54 0.00 3.38 -1.04 -1.36 115.31 116.60 2r3r h LEU 281 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2r3r h LEU 281 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2r3r h LEU 281 CO -0.03 0.04 -0.19 0.00 0.09 0.00 0.00 178.44 178.35 2r3r n ALA 282 N -2.34 2.95 -1.75 1.53 0.00 -0.79 -4.82 120.51 115.28 2r3r n ALA 282 Ca -0.03 -0.39 -0.38 0.00 0.00 0.00 0.00 53.44 52.65 2r3r n ALA 282 Cb 0.13 -1.17 0.03 0.00 0.00 0.00 0.00 19.45 18.45 2r3r n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2r3r s HIS 283 N -2.41 2.43 0.65 0.00 5.04 -0.51 -4.88 115.29 115.61 2r3r s HIS 283 Ca 0.27 1.44 0.35 0.00 -1.54 0.00 0.00 55.06 55.58 2r3r s HIS 283 Cb 0.20 -3.65 1.93 0.00 0.04 0.00 0.00 32.58 31.10 2r3r s HIS 283 CO 0.48 -2.46 2.14 -1.35 -2.34 0.00 0.00 174.74 171.21 2r3r h PRO 284 N 1.48 0.00 -0.23 2.88 0.11 -1.92 -1.49 132.00 132.82 2r3r h PRO 284 Ca -0.50 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.67 2r3r h PRO 284 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 2r3r h PRO 284 CO 0.57 0.00 0.20 0.35 -0.21 0.00 0.00 178.00 178.92 2r3r h PHE 285 N 0.00 0.00 -0.46 0.65 3.57 -1.90 -1.90 116.94 116.91 2r3r h PHE 285 Ca 0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2r3r h PHE 285 Cb 0.38 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.12 2r3r h PHE 285 CO 0.00 0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.27 2r3r n PHE 286 N -4.10 0.60 -0.33 0.41 3.72 -0.56 -4.37 117.46 112.82 2r3r n PHE 286 Ca 0.03 -0.30 0.09 0.00 -0.05 0.00 0.00 57.45 57.21 2r3r n PHE 286 Cb 0.34 0.00 0.28 0.00 -0.94 0.00 0.00 39.48 39.17 2r3r n PHE 286 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2r3r h GLN 287 N 3.32 0.88 -0.44 -1.08 4.15 -1.50 -2.20 115.11 118.23 2r3r h GLN 287 Ca 0.00 -0.05 -0.17 0.00 0.77 0.00 0.00 58.65 59.20 2r3r h GLN 287 Cb 0.75 -0.20 -0.10 0.00 0.21 0.00 0.00 27.48 28.14 2r3r h GLN 287 CO 0.00 0.58 0.07 -0.40 -1.93 0.00 0.00 178.83 177.15 2r3r n ASP 288 N -4.60 3.33 -4.76 -0.69 5.75 -1.26 -5.04 116.55 109.27 2r3r n ASP 288 Ca 0.18 -3.46 -0.39 0.00 -0.01 0.00 0.00 54.79 51.11 2r3r n ASP 288 Cb 0.38 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 2r3r n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2r3r s VAL 289 N -3.10 2.62 0.34 2.12 0.11 -0.83 -5.03 120.40 116.63 2r3r s VAL 289 Ca 0.47 0.52 0.06 0.00 -2.93 0.00 0.00 61.98 60.10 2r3r s VAL 289 Cb 0.40 -3.29 -0.03 0.00 -1.53 0.00 0.00 36.38 31.93 2r3r s VAL 289 CO 0.05 0.04 0.25 0.42 -3.33 0.00 0.00 175.10 172.54 2r3r s THR 290 N -1.34 0.09 -0.59 5.04 -4.23 -1.26 -5.10 115.64 108.25 2r3r s THR 290 Ca 0.62 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.17 2r3r s THR 290 Cb -0.36 -2.47 0.16 0.00 1.34 0.00 0.00 72.50 71.17 2r3r s THR 290 CO 0.45 0.00 0.42 -0.75 -0.54 0.00 0.00 174.62 174.20 2r3r s LYS 291 N -3.51 1.87 0.77 3.99 2.20 -1.26 -4.30 119.74 119.50 2r3r s LYS 291 Ca 0.38 -2.83 -0.11 0.00 -0.36 0.00 0.00 55.97 53.05 2r3r s LYS 291 Cb 0.02 -2.72 0.06 0.00 -1.51 0.00 0.00 37.83 33.68 2r3r s LYS 291 CO 0.25 -1.30 1.08 -2.14 -0.36 0.00 0.00 175.35 172.89 2r3r s PRO 292 N -0.80 2.27 -0.19 4.03 0.02 -1.26 -4.98 135.00 134.09 2r3r s PRO 292 Ca 0.26 1.02 -0.11 0.00 0.02 0.00 0.00 61.00 62.19 2r3r s PRO 292 Cb -0.05 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.52 2r3r s PRO 292 CO -0.15 -1.59 0.18 0.08 -0.33 0.00 0.00 177.00 175.19 2r3r s VAL 293 N -2.96 5.37 0.65 3.83 1.01 -1.26 -4.48 120.40 122.55 2r3r s VAL 293 Ca 0.61 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.78 2r3r s VAL 293 Cb -0.16 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 2r3r s VAL 293 CO 0.56 0.41 1.05 -2.16 0.00 0.00 0.00 175.10 174.96 2r3r s PRO 294 N 0.48 3.37 -0.40 2.72 0.04 -1.26 -5.00 135.00 134.95 2r3r s PRO 294 Ca 0.11 0.71 -0.17 0.00 0.04 0.00 0.00 61.00 61.69 2r3r s PRO 294 Cb -0.12 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.38 2r3r s PRO 294 CO 0.00 -0.73 0.45 -1.58 0.04 0.00 0.00 177.00 175.19 2r3r s HIS 295 N -3.20 3.17 -0.15 0.56 2.46 -1.26 -4.94 115.29 111.92 2r3r s HIS 295 Ca 0.56 -0.23 -0.03 0.00 0.47 0.00 0.00 55.06 55.83 2r3r s HIS 295 Cb -0.11 -2.90 -0.02 0.00 -0.13 0.00 0.00 32.58 29.41 2r3r s HIS 295 CO 0.54 -0.65 -0.06 -0.51 -2.47 0.00 0.00 174.74 171.59 2r3r s LEU 296 N 2.20 3.13 -0.44 8.88 1.43 -1.26 -5.06 118.68 127.56 2r3r s LEU 296 Ca 0.14 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 2r3r s LEU 296 Cb -0.17 -1.75 0.12 0.00 0.03 0.00 0.00 46.19 44.42 2r3r s LEU 296 CO 0.14 0.16 0.26 -0.60 0.23 0.00 0.00 176.35 176.53 2r3r s ARG 297 N 0.41 2.16 0.00 1.70 3.00 -1.26 -5.11 118.95 119.84 2r3r s ARG 297 Ca -0.05 -1.87 0.26 0.00 -1.00 0.00 0.00 55.73 53.07 2r3r s ARG 297 Cb -0.15 -3.68 0.58 0.00 0.00 0.00 0.00 34.95 31.71 2r3r s ARG 297 CO 0.03 -1.11 1.48 1.28 0.00 0.00 0.00 175.30 176.99