#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gly h THR 2 N 0.00 0.24 0.58 0.00 1.03 -2.05 -3.17 112.91 109.53 3gly h THR 2 Ca 0.00 -0.60 -0.02 0.00 -0.01 0.00 0.00 66.41 65.78 3gly h THR 2 Cb 0.00 0.37 -0.00 0.00 -1.07 0.00 0.00 68.15 67.45 3gly h THR 2 CO 0.00 0.05 -0.33 0.25 -0.01 0.00 0.00 175.52 175.48 3gly h LEU 3 N -1.07 -0.82 -0.98 0.00 5.85 -2.00 0.66 115.31 116.96 3gly h LEU 3 Ca -0.06 0.04 0.20 0.00 0.84 0.00 0.00 57.88 58.91 3gly h LEU 3 Cb 0.53 0.23 -0.11 0.00 0.37 0.00 0.00 40.66 41.68 3gly h LEU 3 CO 0.10 -0.53 0.57 0.44 -0.34 0.00 0.00 178.44 178.68 3gly h ASP 4 N -0.85 0.69 -0.09 1.25 5.19 -2.01 -0.99 116.42 119.61 3gly h ASP 4 Ca -0.07 0.11 -0.18 0.00 -0.62 0.00 0.00 57.03 56.27 3gly h ASP 4 Cb 0.68 -0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.20 3gly h ASP 4 CO 0.09 0.20 -0.64 -1.28 -3.12 0.00 0.00 179.24 174.48 3gly h SER 5 N 0.67 0.72 -0.64 6.45 0.87 -1.47 -2.90 113.55 117.25 3gly h SER 5 Ca 0.58 -0.67 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 3gly h SER 5 Cb 0.97 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.69 3gly h SER 5 CO -0.42 1.28 0.38 -0.25 -0.53 0.00 0.00 176.83 177.28 3gly h TRP 6 N 0.22 0.85 -0.87 2.24 7.01 -0.18 -2.97 115.95 122.25 3gly h TRP 6 Ca -0.06 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.92 3gly h TRP 6 Cb 1.30 -0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 28.04 3gly h TRP 6 CO 0.11 0.58 0.47 -0.07 -2.79 0.00 0.00 178.44 176.74 3gly h LEU 7 N 0.86 1.09 -0.50 0.65 3.38 -1.24 0.32 115.31 119.88 3gly h LEU 7 Ca 0.23 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3gly h LEU 7 Cb -0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3gly h LEU 7 CO -0.04 0.88 0.22 0.28 0.09 0.00 0.00 178.44 179.87 3gly h SER 8 N 1.21 0.67 -0.06 -0.43 0.02 -1.39 -1.39 113.55 112.19 3gly h SER 8 Ca 0.30 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3gly h SER 8 Cb 0.04 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 3gly h SER 8 CO -0.05 0.63 -0.00 -1.13 -1.14 0.00 0.00 176.83 175.14 3gly h ASN 9 N 0.66 0.10 -0.69 3.07 -0.73 -1.34 -3.18 115.58 113.48 3gly h ASN 9 Ca 0.17 -0.32 -0.00 0.00 1.87 0.00 0.00 56.30 58.02 3gly h ASN 9 Cb 0.15 -0.03 -0.03 0.00 0.27 0.00 0.00 38.32 38.68 3gly h ASN 9 CO -0.02 0.40 0.43 -0.08 -0.37 0.00 0.00 177.43 177.79 3gly h GLU 10 N -0.20 0.94 -0.70 6.67 4.57 -0.26 -2.20 114.58 123.40 3gly h GLU 10 Ca 0.02 -0.08 0.05 0.00 -1.18 0.00 0.00 59.36 58.17 3gly h GLU 10 Cb 0.35 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.69 3gly h GLU 10 CO 0.00 0.66 0.46 0.00 -1.18 0.00 0.00 179.01 178.95 3gly h ALA 11 N 1.51 1.66 -0.14 2.92 0.00 -1.24 0.38 119.26 124.36 3gly h ALA 11 Ca 0.25 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 3gly h ALA 11 Cb -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3gly h ALA 11 CO -0.05 0.24 -0.40 1.15 0.00 0.00 0.00 179.25 180.20 3gly h THR 12 N 0.78 1.36 -0.63 0.00 2.02 -1.39 -2.47 112.91 112.58 3gly h THR 12 Ca 0.29 -1.68 -0.05 0.00 0.77 0.00 0.00 66.41 65.74 3gly h THR 12 Cb 0.17 2.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 3gly h THR 12 CO -0.09 0.51 0.18 0.58 0.37 0.00 0.00 175.52 177.07 3gly h VAL 13 N 0.14 1.25 -0.68 3.16 2.07 -1.06 -2.61 116.25 118.52 3gly h VAL 13 Ca -0.01 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3gly h VAL 13 Cb 1.02 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3gly h VAL 13 CO 0.09 0.33 0.37 0.00 0.02 0.00 0.00 177.57 178.38 3gly h ALA 14 N 1.06 0.87 -0.32 1.67 0.00 -0.25 -0.49 119.26 121.80 3gly h ALA 14 Ca 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3gly h ALA 14 Cb 0.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3gly h ALA 14 CO -0.00 0.38 0.06 -0.09 0.00 0.00 0.00 179.25 179.60 3gly h ARG 15 N 0.93 0.53 -0.10 0.00 2.43 -1.34 -1.87 114.38 114.96 3gly h ARG 15 Ca 0.24 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3gly h ARG 15 Cb 0.04 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3gly h ARG 15 CO -0.04 0.62 0.04 1.15 -1.51 0.00 0.00 179.97 180.23 3gly h THR 16 N 0.36 1.15 -0.92 0.20 2.02 -1.37 -2.75 112.91 111.60 3gly h THR 16 Ca 0.10 -0.45 0.06 0.00 0.77 0.00 0.00 66.41 66.88 3gly h THR 16 Cb 0.34 1.26 -0.06 0.00 -1.74 0.00 0.00 68.15 67.95 3gly h THR 16 CO 0.01 0.13 0.59 0.00 0.37 0.00 0.00 175.52 176.62 3gly h ALA 17 N 0.88 1.27 0.42 6.16 0.00 -1.06 -1.27 119.26 125.65 3gly h ALA 17 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3gly h ALA 17 Cb 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3gly h ALA 17 CO -0.00 0.37 -0.20 0.82 0.00 0.00 0.00 179.25 180.23 3gly h ILE 18 N 1.08 0.59 -0.27 0.00 2.04 -1.21 -2.53 117.51 117.21 3gly h ILE 18 Ca 0.40 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 66.31 3gly h ILE 18 Cb 0.15 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3gly h ILE 18 CO -0.17 0.00 0.24 -0.07 0.00 0.00 0.00 178.15 178.16 3gly h LEU 19 N -0.58 0.00 -0.88 1.44 3.38 -1.16 0.36 115.31 117.87 3gly h LEU 19 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3gly h LEU 19 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3gly h LEU 19 CO 0.09 0.00 0.00 0.78 0.09 0.00 0.00 178.44 179.40 3gly h ASN 20 N 0.00 0.00 -0.53 -0.43 2.35 -0.81 -2.86 115.58 113.30 3gly h ASN 20 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3gly h ASN 20 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3gly h ASN 20 CO -0.00 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.37 3gly n ASN 21 N -2.75 4.26 -4.30 5.81 5.03 0.13 -1.36 115.26 122.07 3gly n ASN 21 Ca 0.02 -2.45 -0.32 0.00 0.87 0.00 0.00 54.58 52.71 3gly n ASN 21 Cb 0.33 -0.50 -0.16 0.00 -1.02 0.00 0.00 39.78 38.42 3gly n ASN 21 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3gly s ILE 22 N -1.83 2.25 0.72 2.41 1.01 -1.08 -0.60 121.20 124.08 3gly s ILE 22 Ca 0.44 -1.00 -0.11 0.00 0.00 0.00 0.00 60.65 59.98 3gly s ILE 22 Cb 0.29 -1.83 0.02 0.00 0.01 0.00 0.00 42.46 40.95 3gly s ILE 22 CO 0.21 0.57 1.08 -0.83 0.00 0.00 0.00 174.94 175.97 3gly s GLY 23 N -0.17 1.64 -0.09 6.18 0.00 -0.02 -1.33 107.32 113.53 3gly s GLY 23 Ca -0.03 -0.20 0.16 0.00 0.00 0.00 0.00 44.72 44.66 3gly s GLY 23 CO 0.04 0.17 1.49 0.00 0.00 0.00 0.00 173.10 174.79 3gly n ALA 24 N -3.14 2.78 0.23 3.20 0.00 -1.24 -1.31 120.51 121.03 3gly n ALA 24 Ca 0.07 -1.60 0.03 0.00 0.00 0.00 0.00 53.44 51.94 3gly n ALA 24 Cb 0.56 -0.79 0.01 0.00 0.00 0.00 0.00 19.45 19.23 3gly n ALA 24 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gly n ASP 25 N 0.68 1.21 -4.66 0.00 8.00 -1.26 -4.91 116.55 115.63 3gly n ASP 25 Ca 0.21 -1.11 -0.49 0.00 0.71 0.00 0.00 54.79 54.12 3gly n ASP 25 Cb 0.75 0.20 -0.05 0.00 -0.02 0.00 0.00 41.12 42.00 3gly n ASP 25 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gly n GLY 26 N 0.47 1.07 0.20 0.44 0.00 -0.44 -4.87 105.19 102.05 3gly n GLY 26 Ca 0.03 0.74 0.03 0.00 0.00 0.00 0.00 46.02 46.82 3gly n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gly h ALA 27 N 6.59 1.44 -0.00 4.61 0.00 -1.75 -3.14 119.26 127.00 3gly h ALA 27 Ca -0.46 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3gly h ALA 27 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gly h ALA 27 CO 0.89 0.41 -0.66 0.91 0.00 0.00 0.00 179.25 180.79 3gly n TRP 28 N -4.12 0.00 -2.36 0.00 8.01 -0.47 -4.57 117.44 113.93 3gly n TRP 28 Ca -0.02 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 56.01 3gly n TRP 28 Cb 0.37 -0.08 0.03 0.00 -2.01 0.00 0.00 31.31 29.62 3gly n TRP 28 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.69 178.01 3gly n VAL 29 N -1.05 2.03 -1.67 -0.99 0.24 -1.19 -4.74 118.33 110.96 3gly n VAL 29 Ca 0.07 -3.85 -0.53 0.00 -2.04 0.00 0.00 64.34 57.98 3gly n VAL 29 Cb 0.36 -0.32 -0.06 0.00 -1.47 0.00 0.00 33.84 32.35 3gly n VAL 29 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3gly n SER 30 N -0.60 2.49 0.00 -1.34 2.88 -1.25 -0.89 113.62 114.91 3gly n SER 30 Ca 0.30 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.91 3gly n SER 30 Cb 0.87 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 3gly n SER 30 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gly n GLY 31 N 3.77 1.84 3.75 0.46 0.00 -1.26 -5.10 105.19 108.65 3gly n GLY 31 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 3gly n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gly s ALA 32 N -1.83 3.38 1.06 4.61 0.00 -0.07 -4.31 121.76 124.59 3gly s ALA 32 Ca 0.00 0.81 -0.15 0.00 0.00 0.00 0.00 51.96 52.62 3gly s ALA 32 Cb 0.00 -3.31 0.22 0.00 0.00 0.00 0.00 23.12 20.02 3gly s ALA 32 CO 0.00 -0.10 1.12 0.34 0.00 0.00 0.00 175.76 177.11 3gly s ASP 33 N -0.66 2.18 -0.06 0.00 -1.08 0.10 -4.32 116.67 112.83 3gly s ASP 33 Ca 0.45 0.90 -0.30 0.00 -0.52 0.00 0.00 52.55 53.09 3gly s ASP 33 Cb -0.30 -1.38 -0.06 0.00 -1.46 0.00 0.00 42.92 39.71 3gly s ASP 33 CO 0.37 -3.38 1.83 -0.55 0.52 0.00 0.00 175.17 173.96 3gly s SER 34 N -3.77 6.42 0.00 -0.34 0.15 -1.26 -2.54 113.70 112.35 3gly s SER 34 Ca 0.67 2.28 0.00 0.00 0.70 0.00 0.00 55.95 59.61 3gly s SER 34 Cb -0.14 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 3gly s SER 34 CO 0.56 -1.13 0.00 0.61 1.20 0.00 0.00 173.24 174.48 3gly n GLY 35 N 4.53 0.72 3.64 9.45 0.00 -0.42 -4.46 105.19 118.65 3gly n GLY 35 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3gly n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gly s ILE 36 N -2.70 4.92 -0.29 -0.61 -1.09 -1.05 -4.14 121.20 116.22 3gly s ILE 36 Ca 0.00 1.37 -0.19 0.00 -2.23 0.00 0.00 60.65 59.61 3gly s ILE 36 Cb 0.00 -4.03 -0.02 0.00 -1.58 0.00 0.00 42.46 36.83 3gly s ILE 36 CO 0.00 -0.01 0.55 -0.69 -1.23 0.00 0.00 174.94 173.56 3gly s VAL 37 N 2.54 5.02 -0.01 2.92 1.01 -1.26 -0.84 120.40 129.78 3gly s VAL 37 Ca 0.31 0.76 -0.15 0.00 0.00 0.00 0.00 61.98 62.91 3gly s VAL 37 Cb -0.16 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 3gly s VAL 37 CO 0.09 -0.04 0.41 -0.69 0.00 0.00 0.00 175.10 174.86 3gly s VAL 38 N 2.42 5.04 0.11 2.92 1.01 0.23 -4.33 120.40 127.79 3gly s VAL 38 Ca 0.22 0.84 -0.24 0.00 0.00 0.00 0.00 61.98 62.80 3gly s VAL 38 Cb -0.15 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.41 3gly s VAL 38 CO 0.11 0.56 1.69 0.00 0.00 0.00 0.00 175.10 177.46 3gly h ALA 39 N 4.90 -0.15 -2.60 5.51 0.00 -1.47 -3.42 119.26 122.04 3gly h ALA 39 Ca -0.51 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 3gly h ALA 39 Cb 1.22 0.18 -0.15 0.00 0.00 0.00 0.00 17.79 19.04 3gly h ALA 39 CO 0.63 -0.61 -0.02 0.45 0.00 0.00 0.00 179.25 179.70 3gly s SER 40 N -5.03 -0.36 0.00 0.00 0.15 -1.21 -1.11 113.70 106.15 3gly s SER 40 Ca -0.14 0.00 0.28 0.00 0.70 0.00 0.00 55.95 56.79 3gly s SER 40 Cb 0.08 0.48 1.66 0.00 -1.71 0.00 0.00 66.02 66.52 3gly s SER 40 CO 0.66 -0.75 2.01 -0.81 1.20 0.00 0.00 173.24 175.55 3gly n PRO 41 N 0.24 0.88 -2.24 5.44 -0.04 -1.26 -3.74 135.00 134.28 3gly n PRO 41 Ca -0.18 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.86 3gly n PRO 41 Cb 0.61 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.56 3gly n PRO 41 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3gly s SER 42 N -1.98 6.68 -0.02 3.54 0.15 -1.26 -4.84 113.70 115.96 3gly s SER 42 Ca 0.42 1.71 0.21 0.00 0.70 0.00 0.00 55.95 58.99 3gly s SER 42 Cb 0.19 -2.54 -0.31 0.00 -1.71 0.00 0.00 66.02 61.66 3gly s SER 42 CO 0.32 -0.99 0.54 0.35 1.20 0.00 0.00 173.24 174.65 3gly n THR 43 N 5.83 0.00 -4.11 6.45 -2.24 -1.26 -1.43 114.28 117.52 3gly n THR 43 Ca 0.16 -0.39 -0.15 0.00 -2.27 0.00 0.00 64.05 61.40 3gly n THR 43 Cb 0.45 0.20 -0.14 0.00 -2.10 0.00 0.00 70.33 68.74 3gly n THR 43 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3gly s ASP 44 N -4.14 0.55 -0.52 3.42 1.01 -1.26 -4.38 116.67 111.35 3gly s ASP 44 Ca -0.05 -0.13 -0.16 0.00 0.71 0.00 0.00 52.55 52.92 3gly s ASP 44 Cb 0.14 -0.05 0.02 0.00 1.01 0.00 0.00 42.92 44.05 3gly s ASP 44 CO 0.87 0.02 0.52 0.59 0.21 0.00 0.00 175.17 177.38 3gly n ASN 45 N 2.80 -4.18 -4.96 0.27 3.02 -1.26 -4.55 115.26 106.40 3gly n ASN 45 Ca -0.14 -0.47 -0.22 0.00 -0.03 0.00 0.00 54.58 53.72 3gly n ASN 45 Cb 0.58 -1.30 0.03 0.00 -0.61 0.00 0.00 39.78 38.49 3gly n ASN 45 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3gly s PRO 46 N -3.22 2.61 -0.53 3.52 0.04 -1.26 -4.83 135.00 131.33 3gly s PRO 46 Ca 0.16 -0.68 -0.17 0.00 0.04 0.00 0.00 61.00 60.35 3gly s PRO 46 Cb -0.02 -2.47 0.10 0.00 0.04 0.00 0.00 34.50 32.15 3gly s PRO 46 CO 0.73 -0.68 0.56 0.34 0.04 0.00 0.00 177.00 177.98 3gly s ASP 47 N -4.40 6.18 -0.03 6.66 2.15 -1.26 -4.15 116.67 121.83 3gly s ASP 47 Ca 0.56 -1.43 0.09 0.00 0.43 0.00 0.00 52.55 52.19 3gly s ASP 47 Cb -0.10 -2.24 0.24 0.00 -0.30 0.00 0.00 42.92 40.51 3gly s ASP 47 CO 0.39 -0.89 1.19 -1.22 -0.17 0.00 0.00 175.17 174.47 3gly n TYR 48 N 5.71 0.35 -2.01 -5.34 4.02 -0.52 -4.90 117.16 114.48 3gly n TYR 48 Ca -0.11 -0.57 -0.42 0.00 -0.01 0.00 0.00 57.90 56.79 3gly n TYR 48 Cb 0.42 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.67 3gly n TYR 48 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3gly n PHE 49 N -0.01 3.74 -4.03 -0.72 7.35 -1.02 -3.30 117.46 119.48 3gly n PHE 49 Ca 0.09 -2.94 -0.10 0.00 -0.76 0.00 0.00 57.45 53.74 3gly n PHE 49 Cb 0.44 -2.49 -0.05 0.00 0.35 0.00 0.00 39.48 37.72 3gly n PHE 49 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 3gly s TYR 50 N 3.02 0.52 -0.14 -5.13 2.02 -1.26 -4.60 117.35 111.78 3gly s TYR 50 Ca 0.47 -0.86 0.02 0.00 -0.37 0.00 0.00 57.07 56.34 3gly s TYR 50 Cb 0.11 0.10 0.01 0.00 -0.40 0.00 0.00 41.96 41.78 3gly s TYR 50 CO -0.04 -0.99 -0.20 -0.08 -1.57 0.00 0.00 175.55 172.67 3gly s THR 51 N -3.88 1.93 -0.11 -0.71 -1.32 -0.55 -1.86 115.64 109.13 3gly s THR 51 Ca 0.25 -0.89 -0.04 0.00 -1.21 0.00 0.00 61.69 59.79 3gly s THR 51 Cb 0.00 -1.72 -0.04 0.00 -1.51 0.00 0.00 72.50 69.23 3gly s THR 51 CO 0.11 0.52 0.05 0.26 -2.21 0.00 0.00 174.62 173.35 3gly s TRP 52 N 0.93 3.30 0.20 9.09 0.51 -1.26 -0.74 118.94 130.97 3gly s TRP 52 Ca -0.05 0.26 -0.11 0.00 -2.12 0.00 0.00 56.10 54.08 3gly s TRP 52 Cb -0.15 -1.88 0.13 0.00 -0.81 0.00 0.00 33.47 30.76 3gly s TRP 52 CO -0.04 0.49 1.84 1.15 -0.51 0.00 0.00 176.95 179.89 3gly h THR 53 N 4.24 1.19 0.88 2.01 2.02 -1.61 -1.62 112.91 120.02 3gly h THR 53 Ca -0.49 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.23 3gly h THR 53 Cb 1.20 0.23 0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3gly h THR 53 CO 0.58 0.20 -0.42 -0.09 0.37 0.00 0.00 175.52 176.16 3gly h ARG 54 N 0.94 -1.14 -0.22 6.66 2.43 -1.83 -0.30 114.38 120.91 3gly h ARG 54 Ca 0.25 0.08 0.06 0.00 -0.81 0.00 0.00 59.98 59.55 3gly h ARG 54 Cb -0.04 0.26 -0.07 0.00 -0.42 0.00 0.00 29.97 29.69 3gly h ARG 54 CO -0.05 -0.76 -0.29 0.22 -1.51 0.00 0.00 179.97 177.58 3gly h ASP 55 N -1.21 -0.92 -0.77 -3.80 3.58 -1.93 0.22 116.42 111.58 3gly h ASP 55 Ca -0.12 0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 3gly h ASP 55 Cb 0.91 0.42 -0.04 0.00 1.72 0.00 0.00 39.33 42.34 3gly h ASP 55 CO 0.20 -0.32 0.42 0.28 -2.88 0.00 0.00 179.24 176.94 3gly h SER 56 N -0.31 0.97 -0.30 2.28 0.02 -1.33 -0.96 113.55 113.93 3gly h SER 56 Ca 0.13 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3gly h SER 56 Cb 0.51 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3gly h SER 56 CO -0.40 0.79 0.09 1.23 -1.14 0.00 0.00 176.83 177.40 3gly h GLY 57 N 1.13 0.50 0.91 -3.77 0.00 -0.15 -1.33 103.07 100.35 3gly h GLY 57 Ca 0.28 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 3gly h GLY 57 CO -0.04 0.28 0.10 1.41 0.00 0.00 0.00 176.54 178.29 3gly h LEU 58 N 0.32 0.38 -0.45 3.11 3.38 -0.77 -1.50 115.31 119.78 3gly h LEU 58 Ca 0.10 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3gly h LEU 58 Cb 0.25 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3gly h LEU 58 CO -0.00 0.45 0.13 0.58 0.09 0.00 0.00 178.44 179.70 3gly h VAL 59 N 0.29 1.22 -0.30 1.22 2.07 -1.15 -2.67 116.25 116.94 3gly h VAL 59 Ca 0.09 -0.75 -0.13 0.00 0.82 0.00 0.00 66.70 66.73 3gly h VAL 59 Cb 0.19 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3gly h VAL 59 CO -0.01 0.27 -0.35 0.40 0.02 0.00 0.00 177.57 177.90 3gly h ILE 60 N 0.59 1.29 -0.81 4.57 1.08 -1.20 0.15 117.51 123.18 3gly h ILE 60 Ca 0.14 -1.50 -0.03 0.00 -0.39 0.00 0.00 64.86 63.08 3gly h ILE 60 Cb 0.28 1.43 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 3gly h ILE 60 CO -0.00 0.48 0.37 0.50 -0.69 0.00 0.00 178.15 178.81 3gly h LYS 61 N 0.57 1.17 -0.39 2.37 1.63 -1.20 0.36 116.57 121.08 3gly h LYS 61 Ca 0.06 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.66 3gly h LYS 61 Cb 0.87 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.27 3gly h LYS 61 CO 0.08 0.92 0.19 1.15 -3.45 0.00 0.00 179.45 178.34 3gly h THR 62 N 1.15 1.17 -0.57 1.00 2.02 -1.11 -2.01 112.91 114.57 3gly h THR 62 Ca 0.28 -0.46 -0.10 0.00 0.77 0.00 0.00 66.41 66.90 3gly h THR 62 Cb 0.15 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3gly h THR 62 CO -0.03 0.18 -0.02 -0.07 0.37 0.00 0.00 175.52 175.94 3gly h LEU 63 N 0.49 0.98 -0.76 2.58 3.38 -0.50 -2.39 115.31 119.09 3gly h LEU 63 Ca 0.14 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.87 3gly h LEU 63 Cb 0.10 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3gly h LEU 63 CO -0.02 1.04 0.48 0.58 0.09 0.00 0.00 178.44 180.61 3gly h VAL 64 N 0.91 1.08 -0.48 1.22 2.07 0.05 -1.28 116.25 119.82 3gly h VAL 64 Ca 0.16 -0.31 -0.11 0.00 0.82 0.00 0.00 66.70 67.26 3gly h VAL 64 Cb 0.56 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3gly h VAL 64 CO 0.03 0.17 -0.13 0.44 0.02 0.00 0.00 177.57 178.10 3gly h ASP 65 N 0.91 0.91 -0.61 0.57 3.32 -1.20 -1.92 116.42 118.39 3gly h ASP 65 Ca 0.32 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3gly h ASP 65 Cb 0.06 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 3gly h ASP 65 CO -0.13 1.04 0.25 -0.07 -1.72 0.00 0.00 179.24 178.61 3gly h LEU 66 N 0.81 0.84 0.10 1.55 3.38 -0.93 -2.62 115.31 118.43 3gly h LEU 66 Ca 0.13 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3gly h LEU 66 Cb 0.66 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3gly h LEU 66 CO 0.05 0.77 -0.05 0.15 0.09 0.00 0.00 178.44 179.45 3gly h PHE 67 N 0.85 -0.12 0.00 1.13 3.57 -1.09 -1.81 116.94 119.46 3gly h PHE 67 Ca 0.20 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 3gly h PHE 67 Cb 0.19 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 3gly h PHE 67 CO 0.01 -0.02 -0.03 0.00 -2.23 0.00 0.00 178.31 176.04 3gly h ARG 68 N -0.19 0.00 -0.07 1.11 3.08 -1.32 -1.35 114.38 115.64 3gly h ARG 68 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3gly h ARG 68 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3gly h ARG 68 CO 0.02 0.03 0.00 0.09 -1.07 0.00 0.00 179.97 179.04 3gly n ASN 69 N -4.49 0.82 0.00 7.04 3.02 -0.96 -4.89 115.26 115.80 3gly n ASN 69 Ca -0.03 -1.52 0.00 0.00 -0.03 0.00 0.00 54.58 53.00 3gly n ASN 69 Cb 0.11 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 3gly n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gly n GLY 70 N 0.98 1.37 2.76 7.41 0.00 -0.51 -5.04 105.19 112.16 3gly n GLY 70 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3gly n GLY 70 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3gly n ASP 71 N 0.00 4.00 0.22 1.61 -0.08 -0.72 -4.72 116.55 116.86 3gly n ASP 71 Ca 0.00 -2.87 0.11 0.00 -1.51 0.00 0.00 54.79 50.52 3gly n ASP 71 Cb 0.00 -1.64 0.66 0.00 2.34 0.00 0.00 41.12 42.48 3gly n ASP 71 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 3gly h THR 72 N 4.00 0.93 0.00 5.18 1.35 -1.87 -2.47 112.91 120.03 3gly h THR 72 Ca 0.55 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.41 3gly h THR 72 Cb 0.64 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3gly h THR 72 CO 1.86 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 177.60 3gly n ASP 73 N -4.47 0.00 -0.39 5.36 8.00 -1.26 -1.95 116.55 121.83 3gly n ASP 73 Ca -0.01 0.40 0.13 0.00 0.71 0.00 0.00 54.79 56.02 3gly n ASP 73 Cb 0.18 -0.42 0.54 0.00 -0.02 0.00 0.00 41.12 41.41 3gly n ASP 73 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3gly n LEU 74 N -1.42 1.21 0.07 0.64 4.77 -0.93 -4.32 117.00 117.02 3gly n LEU 74 Ca 0.01 -0.44 -0.12 0.00 -0.03 0.00 0.00 56.01 55.43 3gly n LEU 74 Cb 0.03 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 3gly n LEU 74 CO 0.03 0.22 0.70 0.25 -1.33 0.00 0.00 177.39 177.26 3gly h LEU 75 N 1.78 -0.73 -1.39 2.23 5.85 -1.63 -2.38 115.31 119.04 3gly h LEU 75 Ca 0.00 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3gly h LEU 75 Cb 0.38 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3gly h LEU 75 CO 0.00 -0.32 0.10 0.77 -0.34 0.00 0.00 178.44 178.65 3gly h SER 76 N -0.40 0.47 -0.14 1.25 4.64 -1.85 -0.98 113.55 116.54 3gly h SER 76 Ca 0.06 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gly h SER 76 Cb 0.47 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3gly h SER 76 CO -0.21 0.46 0.09 0.74 -0.87 0.00 0.00 176.83 177.04 3gly h THR 77 N 0.51 1.02 -0.29 2.95 2.02 -1.76 -0.87 112.91 116.49 3gly h THR 77 Ca 0.12 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 3gly h THR 77 Cb 0.17 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3gly h THR 77 CO -0.01 0.03 0.07 0.40 0.37 0.00 0.00 175.52 176.39 3gly h ILE 78 N 0.18 1.22 -0.84 3.11 2.04 -0.94 -1.90 117.51 120.37 3gly h ILE 78 Ca 0.05 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 3gly h ILE 78 Cb -0.01 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 3gly h ILE 78 CO -0.02 0.24 0.49 -0.33 0.00 0.00 0.00 178.15 178.53 3gly h GLU 79 N 0.31 1.15 -0.45 2.37 5.08 -1.06 -2.18 114.58 119.80 3gly h GLU 79 Ca 0.09 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3gly h GLU 79 Cb 0.29 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3gly h GLU 79 CO 0.00 0.82 -0.09 0.45 -1.00 0.00 0.00 179.01 179.19 3gly h HIS 80 N 1.17 0.88 0.39 4.33 3.86 -0.89 -2.13 115.15 122.76 3gly h HIS 80 Ca 0.30 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.34 3gly h HIS 80 Cb -0.02 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.22 3gly h HIS 80 CO 0.01 0.85 -0.19 -0.92 0.86 0.00 0.00 177.93 178.54 3gly h TYR 81 N 0.73 -0.49 -0.04 2.45 3.20 -0.83 0.11 116.97 122.10 3gly h TYR 81 Ca 0.13 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.02 3gly h TYR 81 Cb 0.57 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.96 3gly h TYR 81 CO 0.03 -0.31 -0.23 0.82 -1.64 0.00 0.00 178.16 176.84 3gly h ILE 82 N -0.53 0.46 -0.80 1.81 1.08 -1.37 -0.47 117.51 117.70 3gly h ILE 82 Ca -0.05 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.41 3gly h ILE 82 Cb 0.41 0.46 -0.04 0.00 -3.07 0.00 0.00 36.82 34.58 3gly h ILE 82 CO 0.09 0.00 0.47 0.28 -0.69 0.00 0.00 178.15 178.29 3gly h SER 83 N -0.34 0.96 0.31 1.72 0.02 -1.17 -1.12 113.55 113.94 3gly h SER 83 Ca 0.07 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 3gly h SER 83 Cb 0.44 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3gly h SER 83 CO -0.23 0.75 -0.27 0.77 -1.14 0.00 0.00 176.83 176.71 3gly h SER 84 N 1.10 0.00 0.83 3.07 4.64 -0.17 -3.03 113.55 119.99 3gly h SER 84 Ca 0.29 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.46 3gly h SER 84 Cb -0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 3gly h SER 84 CO -0.05 0.27 -0.69 1.56 -0.87 0.00 0.00 176.83 177.05 3gly h GLN 85 N 0.00 0.00 -0.91 4.77 1.08 0.15 -1.38 115.11 118.83 3gly h GLN 85 Ca -0.00 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.21 3gly h GLN 85 Cb 0.50 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.88 3gly h GLN 85 CO 0.04 0.69 0.60 0.00 -0.95 0.00 0.00 178.83 179.21 3gly h ALA 86 N 1.31 1.37 0.25 3.87 0.00 -1.29 -0.89 119.26 123.88 3gly h ALA 86 Ca -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3gly h ALA 86 Cb 1.30 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3gly h ALA 86 CO 0.09 0.57 -0.12 0.82 0.00 0.00 0.00 179.25 180.61 3gly h ILE 87 N 1.20 0.23 -0.86 0.00 2.04 -1.56 -3.33 117.51 115.24 3gly h ILE 87 Ca 0.34 -0.85 0.22 0.00 1.00 0.00 0.00 64.86 65.57 3gly h ILE 87 Cb -0.10 0.40 -0.13 0.00 -0.74 0.00 0.00 36.82 36.24 3gly h ILE 87 CO -0.08 0.06 0.25 0.40 0.00 0.00 0.00 178.15 178.78 3gly h ILE 88 N -1.05 0.38 -0.92 -0.67 1.08 -1.14 -0.97 117.51 114.23 3gly h ILE 88 Ca -0.03 -0.09 0.17 0.00 -0.39 0.00 0.00 64.86 64.52 3gly h ILE 88 Cb 0.36 0.10 -0.08 0.00 -3.07 0.00 0.00 36.82 34.14 3gly h ILE 88 CO 0.06 0.05 0.59 1.56 -0.69 0.00 0.00 178.15 179.71 3gly h GLN 89 N 0.25 0.60 -0.01 2.37 4.20 -1.28 -0.25 115.11 120.99 3gly h GLN 89 Ca 0.53 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.20 3gly h GLN 89 Cb 1.03 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.68 3gly h GLN 89 CO -0.61 0.39 -0.03 0.41 -0.67 0.00 0.00 178.83 178.33 3gly n GLY 90 N -1.44 -0.04 3.69 3.46 0.00 -0.39 -4.02 105.19 106.44 3gly n GLY 90 Ca 0.19 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 3gly n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gly s VAL 91 N -2.06 4.17 0.15 1.61 1.01 -0.11 -4.71 120.40 120.47 3gly s VAL 91 Ca 0.36 1.51 -0.30 0.00 0.00 0.00 0.00 61.98 63.54 3gly s VAL 91 Cb 0.21 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.54 3gly s VAL 91 CO 0.35 0.01 1.27 -0.55 0.00 0.00 0.00 175.10 176.18 3gly s SER 92 N 1.50 6.97 0.32 3.32 0.15 -1.26 -4.74 113.70 119.96 3gly s SER 92 Ca 0.57 2.26 -0.07 0.00 0.70 0.00 0.00 55.95 59.41 3gly s SER 92 Cb -0.26 -2.60 0.01 0.00 -1.71 0.00 0.00 66.02 61.46 3gly s SER 92 CO 0.23 -0.50 0.50 0.54 1.20 0.00 0.00 173.24 175.22 3gly s ASN 93 N 0.58 0.49 0.65 5.45 2.20 -0.73 -4.65 114.94 118.94 3gly s ASN 93 Ca 0.58 -1.28 0.38 0.00 -0.94 0.00 0.00 52.86 51.59 3gly s ASN 93 Cb -0.34 0.65 2.08 0.00 -2.00 0.00 0.00 41.25 41.65 3gly s ASN 93 CO 0.34 -1.28 2.21 -0.65 -2.94 0.00 0.00 177.10 174.77 3gly h PRO 94 N 2.16 0.00 0.00 3.55 0.11 -1.93 -0.58 132.00 135.30 3gly h PRO 94 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3gly h PRO 94 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3gly h PRO 94 CO 0.38 0.00 -0.16 0.77 -0.21 0.00 0.00 178.00 178.79 3gly h SER 95 N 0.00 0.00 -1.21 -2.05 0.02 -1.88 -3.50 113.55 104.93 3gly h SER 95 Ca 0.01 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3gly h SER 95 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 3gly h SER 95 CO -0.00 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 3gly n GLY 96 N 1.30 0.69 3.96 -3.77 0.00 -0.23 -3.28 105.19 103.87 3gly n GLY 96 Ca 0.05 -2.12 -0.23 0.00 0.00 0.00 0.00 46.02 43.73 3gly n GLY 96 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gly s ASP 97 N -4.00 4.88 0.18 1.61 1.01 -1.26 -1.78 116.67 117.31 3gly s ASP 97 Ca 0.00 -1.03 -0.19 0.00 0.71 0.00 0.00 52.55 52.05 3gly s ASP 97 Cb 0.00 0.29 0.13 0.00 1.01 0.00 0.00 42.92 44.34 3gly s ASP 97 CO 0.00 -1.18 1.62 0.25 0.21 0.00 0.00 175.17 176.08 3gly h LEU 98 N 0.51 -0.76 -1.61 1.23 5.85 -1.84 0.66 115.31 119.34 3gly h LEU 98 Ca -0.34 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3gly h LEU 98 Cb 1.29 0.41 0.00 0.00 0.37 0.00 0.00 40.66 42.74 3gly h LEU 98 CO 0.50 -0.25 0.00 -1.54 -0.34 0.00 0.00 178.44 176.81 3gly n SER 99 N -5.40 2.40 -1.15 1.25 3.41 -1.26 -4.40 113.62 108.47 3gly n SER 99 Ca 0.03 -1.86 0.05 0.00 -0.26 0.00 0.00 58.87 56.83 3gly n SER 99 Cb 0.31 -0.20 0.09 0.00 -0.26 0.00 0.00 64.21 64.15 3gly n SER 99 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gly n SER 100 N 0.80 1.25 0.00 4.04 3.41 -0.87 -4.98 113.62 117.27 3gly n SER 100 Ca 0.17 -2.68 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 3gly n SER 100 Cb 0.43 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3gly n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gly n GLY 101 N -0.10 0.83 0.43 5.00 0.00 -1.16 -4.38 105.19 105.81 3gly n GLY 101 Ca 0.11 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.36 3gly n GLY 101 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gly h GLY 103 N 0.00 0.71 2.00 -0.02 0.00 0.33 -2.29 103.07 103.79 3gly h GLY 103 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 3gly h GLY 103 CO 0.00 -0.04 -0.04 1.41 0.00 0.00 0.00 176.54 177.86 3gly h LEU 104 N 0.28 0.00 -0.21 3.11 3.38 -1.81 -2.65 115.31 117.41 3gly h LEU 104 Ca 0.51 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.48 3gly h LEU 104 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 3gly h LEU 104 CO -0.16 0.04 -0.02 0.61 0.09 0.00 0.00 178.44 179.01 3gly n GLY 105 N -1.04 -0.84 3.70 0.83 0.00 -0.86 -4.45 105.19 102.52 3gly n GLY 105 Ca -0.02 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 3gly n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gly s GLU 106 N -2.14 4.19 0.04 1.61 2.56 -1.00 -1.03 118.70 122.94 3gly s GLU 106 Ca 0.41 2.39 -0.33 0.00 0.00 0.00 0.00 54.97 57.44 3gly s GLU 106 Cb 0.21 -3.42 -0.18 0.00 2.00 0.00 0.00 34.13 32.74 3gly s GLU 106 CO 0.39 -0.70 1.42 -1.35 -0.56 0.00 0.00 175.26 174.45 3gly h PRO 107 N 7.75 -1.15 -4.97 4.30 0.11 -1.90 -3.43 132.00 132.71 3gly h PRO 107 Ca -0.43 0.08 -0.33 0.00 0.11 0.00 0.00 66.00 65.43 3gly h PRO 107 Cb 1.20 0.26 -0.15 0.00 0.11 0.00 0.00 31.00 32.43 3gly h PRO 107 CO 0.93 -0.76 -0.68 -1.59 -0.21 0.00 0.00 178.00 175.68 3gly s LYS 108 N -5.48 1.15 0.17 1.05 -2.85 -1.26 -1.72 119.74 110.80 3gly s LYS 108 Ca -0.17 -1.54 0.01 0.00 -1.00 0.00 0.00 55.97 53.26 3gly s LYS 108 Cb 0.02 -0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 35.25 3gly s LYS 108 CO 0.52 -0.05 0.03 -0.06 0.10 0.00 0.00 175.35 175.89 3gly s PHE 109 N -3.47 1.14 0.59 1.78 0.40 0.08 -4.27 117.98 114.23 3gly s PHE 109 Ca 0.22 -1.10 -0.16 0.00 -0.60 0.00 0.00 56.93 55.29 3gly s PHE 109 Cb 0.05 -0.65 -0.04 0.00 0.51 0.00 0.00 43.02 42.89 3gly s PHE 109 CO 0.04 -0.31 1.06 -0.80 0.70 0.00 0.00 175.22 175.91 3gly s ASN 110 N -3.15 5.78 0.35 1.36 0.01 -0.36 -1.49 114.94 117.44 3gly s ASN 110 Ca 0.25 1.86 0.25 0.00 -0.71 0.00 0.00 52.86 54.52 3gly s ASN 110 Cb 0.07 -2.54 1.24 0.00 0.41 0.00 0.00 41.25 40.43 3gly s ASN 110 CO 0.04 -1.17 1.77 -0.37 -1.51 0.00 0.00 177.10 175.86 3gly h VAL 111 N 0.55 0.00 -0.21 1.60 -1.51 -1.87 -1.53 116.25 113.29 3gly h VAL 111 Ca -0.47 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 3gly h VAL 111 Cb 1.22 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 3gly h VAL 111 CO 0.57 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.01 3gly n ASP 112 N -2.39 1.82 -0.19 4.19 5.68 -1.26 0.01 116.55 124.41 3gly n ASP 112 Ca -0.00 -1.77 -0.02 0.00 -0.50 0.00 0.00 54.79 52.49 3gly n ASP 112 Cb 0.12 -0.14 -0.01 0.00 -1.14 0.00 0.00 41.12 39.96 3gly n ASP 112 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3gly n GLU 113 N 0.43 -0.33 -3.73 0.11 1.02 -0.57 -4.90 120.64 112.68 3gly n GLU 113 Ca 0.16 0.43 -0.23 0.00 -0.02 0.00 0.00 57.16 57.49 3gly n GLU 113 Cb 0.34 -3.95 -0.02 0.00 -0.02 0.00 0.00 31.44 27.79 3gly n GLU 113 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3gly s THR 114 N -2.02 5.20 0.60 2.62 -4.23 -1.26 -4.90 115.64 111.66 3gly s THR 114 Ca 0.00 -0.69 -0.17 0.00 -1.18 0.00 0.00 61.69 59.65 3gly s THR 114 Cb 0.00 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.98 3gly s THR 114 CO 0.00 -0.36 1.12 0.00 -0.54 0.00 0.00 174.62 174.84 3gly s ALA 115 N -2.06 2.59 -0.36 3.99 0.00 -1.26 -1.22 121.76 123.44 3gly s ALA 115 Ca 0.37 0.71 -0.15 0.00 0.00 0.00 0.00 51.96 52.89 3gly s ALA 115 Cb -0.10 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 3gly s ALA 115 CO 0.31 -1.01 0.32 -0.47 0.00 0.00 0.00 175.76 174.92 3gly s TYR 116 N -2.02 3.22 -1.23 0.00 5.04 -1.26 -4.64 117.35 116.46 3gly s TYR 116 Ca 0.70 -0.20 0.23 0.00 -2.44 0.00 0.00 57.07 55.36 3gly s TYR 116 Cb -0.23 -2.62 0.06 0.00 0.35 0.00 0.00 41.96 39.52 3gly s TYR 116 CO 0.34 -0.46 1.10 0.25 -1.34 0.00 0.00 175.55 175.44 3gly n THR 117 N 5.21 0.00 -1.06 4.34 -2.24 -1.26 -4.59 114.28 114.68 3gly n THR 117 Ca -0.10 -0.05 -0.14 0.00 -2.27 0.00 0.00 64.05 61.49 3gly n THR 117 Cb 0.49 0.82 0.11 0.00 -2.10 0.00 0.00 70.33 69.64 3gly n THR 117 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gly n GLY 118 N 1.47 -2.03 3.75 3.38 0.00 -1.26 -4.97 105.19 105.54 3gly n GLY 118 Ca 0.06 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 3gly n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gly s SER 119 N -3.08 7.16 0.16 1.61 0.01 -1.26 -5.03 113.70 113.28 3gly s SER 119 Ca 0.34 2.26 -0.19 0.00 1.31 0.00 0.00 55.95 59.68 3gly s SER 119 Cb -0.02 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.63 3gly s SER 119 CO 0.25 -0.27 0.51 0.86 0.41 0.00 0.00 173.24 175.00 3gly s TRP 120 N -0.59 -0.27 -1.06 2.43 -0.11 -1.26 -5.06 118.94 113.03 3gly s TRP 120 Ca 0.49 -0.03 -0.22 0.00 1.22 0.00 0.00 56.10 57.55 3gly s TRP 120 Cb -0.32 0.40 0.06 0.00 -1.50 0.00 0.00 33.47 32.10 3gly s TRP 120 CO 0.39 -0.83 1.48 0.20 -4.62 0.00 0.00 176.95 173.57 3gly s GLY 121 N -2.82 1.33 0.15 5.86 0.00 -1.26 -4.92 107.32 105.66 3gly s GLY 121 Ca 0.05 -2.37 0.10 0.00 0.00 0.00 0.00 44.72 42.50 3gly s GLY 121 CO -0.09 2.68 -0.23 1.09 0.00 0.00 0.00 173.10 176.55 3gly s ARG 122 N 4.81 1.35 0.81 2.90 1.70 -1.26 -4.57 118.95 124.68 3gly s ARG 122 Ca 0.47 -1.37 -0.08 0.00 -0.47 0.00 0.00 55.73 54.28 3gly s ARG 122 Cb 0.00 -1.67 0.14 0.00 -0.57 0.00 0.00 34.95 32.85 3gly s ARG 122 CO -0.07 0.38 1.12 -1.25 -1.08 0.00 0.00 175.30 174.40 3gly s PRO 123 N -2.32 1.40 -0.23 3.89 0.04 -1.26 -4.80 135.00 131.71 3gly s PRO 123 Ca 0.14 -0.66 -0.00 0.00 0.04 0.00 0.00 61.00 60.52 3gly s PRO 123 Cb -0.09 -2.11 0.06 0.00 0.04 0.00 0.00 34.50 32.40 3gly s PRO 123 CO 0.07 -1.77 -0.01 -0.65 0.04 0.00 0.00 177.00 174.68 3gly s GLN 124 N -5.45 1.23 0.00 4.56 -0.21 -0.20 -0.84 119.66 118.76 3gly s GLN 124 Ca 0.68 -0.83 0.30 0.00 0.02 0.00 0.00 55.36 55.53 3gly s GLN 124 Cb -0.06 -2.40 1.53 0.00 1.00 0.00 0.00 33.01 33.08 3gly s GLN 124 CO 0.48 -0.65 2.03 0.54 -2.12 0.00 0.00 175.29 175.56 3gly n ARG 125 N 4.80 0.92 0.05 2.91 1.74 -1.26 -3.44 116.66 122.39 3gly n ARG 125 Ca -0.10 -0.21 -0.11 0.00 -0.77 0.00 0.00 57.85 56.66 3gly n ARG 125 Cb 0.45 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 3gly n ARG 125 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 3gly h ASP 126 N 0.51 0.51 -0.89 0.55 2.03 -1.88 -3.37 116.42 113.88 3gly h ASP 126 Ca 0.00 -0.36 0.08 0.00 -0.73 0.00 0.00 57.03 56.02 3gly h ASP 126 Cb 0.22 -0.15 -0.11 0.00 -0.83 0.00 0.00 39.33 38.46 3gly h ASP 126 CO 0.00 1.12 -0.52 0.61 -1.03 0.00 0.00 179.24 179.41 3gly n GLY 127 N 0.68 -2.36 0.36 7.15 0.00 -1.22 -1.47 105.19 108.31 3gly n GLY 127 Ca -0.05 1.07 0.05 0.00 0.00 0.00 0.00 46.02 47.08 3gly n GLY 127 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gly h PRO 128 N 0.00 0.86 -0.45 1.61 0.11 -1.78 0.12 132.00 132.47 3gly h PRO 128 Ca 0.14 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.11 3gly h PRO 128 Cb 0.36 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 3gly h PRO 128 CO -0.83 0.57 -0.08 0.00 -0.21 0.00 0.00 178.00 177.45 3gly h ALA 129 N 1.56 0.62 -0.21 -0.75 0.00 -1.45 -2.08 119.26 116.95 3gly h ALA 129 Ca 0.33 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3gly h ALA 129 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3gly h ALA 129 CO -0.11 0.48 -0.09 -0.07 0.00 0.00 0.00 179.25 179.46 3gly h LEU 130 N 0.68 0.45 -0.71 0.00 3.38 -0.92 -1.50 115.31 116.69 3gly h LEU 130 Ca 0.12 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3gly h LEU 130 Cb 0.61 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3gly h LEU 130 CO 0.04 0.75 0.47 -0.09 0.09 0.00 0.00 178.44 179.70 3gly h ARG 131 N 0.15 0.91 -0.66 1.13 2.43 -0.98 -1.15 114.38 116.21 3gly h ARG 131 Ca 0.05 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3gly h ARG 131 Cb 0.58 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3gly h ARG 131 CO 0.03 0.60 0.14 0.00 -1.51 0.00 0.00 179.97 179.23 3gly h ALA 132 N 1.28 1.01 -0.49 2.80 0.00 -1.26 -2.28 119.26 120.31 3gly h ALA 132 Ca 0.27 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3gly h ALA 132 Cb -0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3gly h ALA 132 CO -0.07 0.64 0.20 1.15 0.00 0.00 0.00 179.25 181.16 3gly h THR 133 N 0.99 1.21 -0.57 0.00 2.02 -0.89 -0.91 112.91 114.77 3gly h THR 133 Ca 0.21 -0.65 -0.05 0.00 0.77 0.00 0.00 66.41 66.69 3gly h THR 133 Cb 0.38 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3gly h THR 133 CO 0.00 0.24 0.16 0.00 0.37 0.00 0.00 175.52 176.30 3gly h ALA 134 N 1.04 1.21 -0.01 6.16 0.00 -0.90 -2.78 119.26 123.98 3gly h ALA 134 Ca 0.16 -0.20 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 3gly h ALA 134 Cb 0.19 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.77 3gly h ALA 134 CO -0.01 0.55 -0.98 0.52 0.00 0.00 0.00 179.25 179.33 3gly h MET 135 N 0.84 0.68 -0.93 0.00 2.86 -1.26 -3.22 114.93 113.89 3gly h MET 135 Ca 0.19 -0.72 0.06 0.00 -2.06 0.00 0.00 59.70 57.17 3gly h MET 135 Cb 0.27 0.20 -0.06 0.00 0.06 0.00 0.00 31.60 32.07 3gly h MET 135 CO -0.01 1.30 0.61 0.82 1.06 0.00 0.00 176.91 180.69 3gly h ILE 136 N 0.35 1.08 -0.41 -1.22 2.04 -1.12 0.16 117.51 118.38 3gly h ILE 136 Ca -0.12 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 3gly h ILE 136 Cb 1.63 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 3gly h ILE 136 CO 0.19 0.20 0.24 1.23 0.00 0.00 0.00 178.15 180.01 3gly h GLY 137 N 1.07 0.61 0.97 5.37 0.00 -1.51 -0.71 103.07 108.88 3gly h GLY 137 Ca 0.40 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.34 3gly h GLY 137 CO -0.15 0.25 -0.34 -2.75 0.00 0.00 0.00 176.54 173.55 3gly h PHE 138 N 0.54 0.84 -0.60 5.60 3.57 -1.44 -2.80 116.94 122.65 3gly h PHE 138 Ca 0.15 -0.27 0.07 0.00 3.53 0.00 0.00 57.97 61.44 3gly h PHE 138 Cb 0.02 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 3gly h PHE 138 CO -0.03 1.03 0.40 0.78 -2.23 0.00 0.00 178.31 178.25 3gly h GLY 139 N 0.41 0.70 0.73 2.40 0.00 -0.59 -0.90 103.07 105.82 3gly h GLY 139 Ca 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 3gly h GLY 139 CO 0.08 0.16 -0.04 1.46 0.00 0.00 0.00 176.54 178.21 3gly h GLN 140 N 0.55 0.25 -0.35 4.80 4.20 -0.95 -2.20 115.11 121.41 3gly h GLN 140 Ca 0.26 -0.10 0.07 0.00 0.06 0.00 0.00 58.65 58.94 3gly h GLN 140 Cb 0.31 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.02 3gly h GLN 140 CO -0.08 0.56 -0.09 2.35 -0.67 0.00 0.00 178.83 180.90 3gly h TRP 141 N -0.08 -0.19 -0.50 2.96 7.01 -1.07 -0.77 115.95 123.31 3gly h TRP 141 Ca 0.03 0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.13 3gly h TRP 141 Cb 0.47 0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 27.61 3gly h TRP 141 CO 0.06 -0.15 0.18 -0.07 -2.79 0.00 0.00 178.44 175.66 3gly h LEU 142 N -0.00 0.18 -0.63 0.65 3.38 -1.10 0.50 115.31 118.28 3gly h LEU 142 Ca 0.17 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 3gly h LEU 142 Cb 0.26 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3gly h LEU 142 CO -0.36 0.13 0.12 -0.07 0.09 0.00 0.00 178.44 178.35 3gly h LEU 143 N 0.35 0.99 -1.23 1.67 3.38 -0.92 0.28 115.31 119.83 3gly h LEU 143 Ca 0.24 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3gly h LEU 143 Cb 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3gly h LEU 143 CO -0.25 0.98 -0.27 0.44 0.09 0.00 0.00 178.44 179.44 3gly h ASP 144 N 0.95 0.00 -0.49 -0.43 3.32 0.10 -3.16 116.42 116.70 3gly h ASP 144 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3gly h ASP 144 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3gly h ASP 144 CO 0.01 0.27 0.00 0.59 -1.72 0.00 0.00 179.24 178.39 3gly n ASN 145 N -3.55 4.08 0.00 6.45 3.02 0.04 -4.97 115.26 120.33 3gly n ASN 145 Ca -0.01 -2.43 0.00 0.00 -0.03 0.00 0.00 54.58 52.11 3gly n ASN 145 Cb 0.42 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 3gly n ASN 145 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gly n GLY 146 N 0.64 0.44 2.75 7.41 0.00 -1.09 -4.98 105.19 110.36 3gly n GLY 146 Ca 0.21 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 3gly n GLY 146 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gly n TYR 147 N -3.33 3.34 -0.32 1.61 4.01 0.97 -4.82 117.16 118.62 3gly n TYR 147 Ca 0.00 -3.06 0.03 0.00 -0.16 0.00 0.00 57.90 54.71 3gly n TYR 147 Cb 0.21 -0.73 0.17 0.00 -0.31 0.00 0.00 39.34 38.69 3gly n TYR 147 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3gly h THR 148 N 2.48 0.97 -0.64 -0.72 2.02 -1.86 -2.07 112.91 113.09 3gly h THR 148 Ca 0.37 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 67.16 3gly h THR 148 Cb 0.45 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 3gly h THR 148 CO 1.05 0.17 0.13 0.28 0.37 0.00 0.00 175.52 177.53 3gly h SER 149 N 0.93 0.98 -0.61 4.18 0.02 -1.94 -1.22 113.55 115.90 3gly h SER 149 Ca 0.41 -0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 3gly h SER 149 Cb 0.31 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3gly h SER 149 CO -0.22 0.98 0.16 0.00 -1.14 0.00 0.00 176.83 176.61 3gly h ALA 150 N 1.04 0.81 -0.49 3.77 0.00 -1.79 -0.96 119.26 121.65 3gly h ALA 150 Ca 0.20 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3gly h ALA 150 Cb 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3gly h ALA 150 CO 0.01 0.51 0.16 0.00 0.00 0.00 0.00 179.25 179.92 3gly h ALA 151 N 1.05 0.65 0.19 0.00 0.00 -1.30 -1.59 119.26 118.26 3gly h ALA 151 Ca 0.19 -0.18 -0.31 0.00 0.00 0.00 0.00 54.91 54.61 3gly h ALA 151 Cb 0.34 -0.19 0.03 0.00 0.00 0.00 0.00 17.79 17.97 3gly h ALA 151 CO -0.00 0.30 -1.32 1.15 0.00 0.00 0.00 179.25 179.38 3gly h THR 152 N 0.67 1.30 0.00 0.00 2.02 -1.15 -1.13 112.91 114.62 3gly h THR 152 Ca 0.16 -2.58 -0.07 0.00 0.77 0.00 0.00 66.41 64.69 3gly h THR 152 Cb 0.27 2.92 -0.01 0.00 -1.74 0.00 0.00 68.15 69.58 3gly h THR 152 CO -0.01 0.77 -1.92 -0.62 0.37 0.00 0.00 175.52 174.12 3gly n GLU 153 N -3.79 0.66 -0.04 6.66 1.02 -0.37 -4.36 120.64 120.41 3gly n GLU 153 Ca -0.15 -0.10 -0.05 0.00 -0.02 0.00 0.00 57.16 56.83 3gly n GLU 153 Cb 1.03 -1.57 -0.02 0.00 -0.02 0.00 0.00 31.44 30.86 3gly n GLU 153 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3gly n ILE 154 N -2.43 1.14 0.23 -3.67 5.41 -0.65 -4.60 119.36 114.79 3gly n ILE 154 Ca -0.09 0.24 -0.15 0.00 1.00 0.00 0.00 62.75 63.76 3gly n ILE 154 Cb 0.68 -2.00 -0.08 0.00 -0.71 0.00 0.00 39.64 37.53 3gly n ILE 154 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3gly h VAL 155 N -0.60 0.54 -0.45 1.39 2.07 -1.36 -3.12 116.25 114.72 3gly h VAL 155 Ca 0.00 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.26 3gly h VAL 155 Cb 0.60 0.69 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 3gly h VAL 155 CO 0.00 0.06 -0.45 -0.25 0.02 0.00 0.00 177.57 176.95 3gly h TRP 156 N -0.79 -1.32 -0.89 1.57 -0.00 -1.41 -0.10 115.95 113.01 3gly h TRP 156 Ca -0.06 0.07 0.15 0.00 -0.00 0.00 0.00 58.89 59.06 3gly h TRP 156 Cb 0.54 0.64 -0.07 0.00 -0.00 0.00 0.00 29.16 30.28 3gly h TRP 156 CO -0.00 -0.44 0.57 -1.35 -0.00 0.00 0.00 178.44 177.22 3gly h PRO 157 N -0.31 0.62 -0.09 2.65 0.11 -1.76 0.32 132.00 133.54 3gly h PRO 157 Ca 0.14 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.14 3gly h PRO 157 Cb 0.58 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.55 3gly h PRO 157 CO -0.61 0.41 -0.21 -0.07 -0.21 0.00 0.00 178.00 177.31 3gly h LEU 158 N 0.64 0.34 -0.88 2.35 3.38 -1.11 -3.13 115.31 116.89 3gly h LEU 158 Ca 0.45 -0.58 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3gly h LEU 158 Cb 0.79 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3gly h LEU 158 CO -0.20 0.86 0.59 0.58 0.09 0.00 0.00 178.44 180.35 3gly h VAL 159 N -0.16 1.23 -0.89 1.22 2.07 -0.24 -2.96 116.25 116.52 3gly h VAL 159 Ca -0.00 -0.41 0.16 0.00 0.82 0.00 0.00 66.70 67.26 3gly h VAL 159 Cb 0.81 -0.08 -0.10 0.00 -1.52 0.00 0.00 31.29 30.41 3gly h VAL 159 CO 0.05 0.22 0.48 -0.09 0.02 0.00 0.00 177.57 178.25 3gly h ARG 160 N 1.20 0.65 0.46 1.57 2.43 -0.35 -0.12 114.38 120.22 3gly h ARG 160 Ca 0.32 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 3gly h ARG 160 Cb -0.14 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.27 3gly h ARG 160 CO -0.07 0.43 -0.22 -0.91 -1.51 0.00 0.00 179.97 177.69 3gly h ASN 161 N 0.67 -0.52 -0.56 -3.80 2.35 -1.49 -1.90 115.58 110.34 3gly h ASN 161 Ca 0.49 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 56.23 3gly h ASN 161 Cb 0.70 0.13 -0.03 0.00 0.05 0.00 0.00 38.32 39.18 3gly h ASN 161 CO -0.36 -0.36 0.27 0.44 -1.65 0.00 0.00 177.43 175.77 3gly h ASP 162 N -0.64 0.72 -0.06 5.81 3.32 -1.38 -2.13 116.42 122.06 3gly h ASP 162 Ca -0.06 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 56.80 3gly h ASP 162 Cb 0.48 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 3gly h ASP 162 CO 0.10 0.64 -0.14 -0.07 -1.72 0.00 0.00 179.24 178.05 3gly h LEU 163 N 0.75 0.39 -0.81 1.55 3.38 -1.05 -1.67 115.31 117.83 3gly h LEU 163 Ca 0.19 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 3gly h LEU 163 Cb 0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3gly h LEU 163 CO -0.03 0.56 -0.27 0.28 0.09 0.00 0.00 178.44 179.08 3gly h SER 164 N 0.37 0.59 0.05 -0.43 0.02 -0.90 -2.31 113.55 110.95 3gly h SER 164 Ca 0.07 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 3gly h SER 164 Cb 0.48 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3gly h SER 164 CO 0.03 0.84 -0.02 0.22 -1.14 0.00 0.00 176.83 176.76 3gly h TYR 165 N 0.51 -0.06 -0.41 3.45 5.03 -0.89 -2.49 116.97 122.11 3gly h TYR 165 Ca 0.07 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.43 3gly h TYR 165 Cb 0.73 0.02 -0.05 0.00 1.55 0.00 0.00 36.73 38.99 3gly h TYR 165 CO 0.03 0.15 0.14 0.28 -1.32 0.00 0.00 178.16 177.44 3gly h VAL 166 N -0.27 0.87 -0.11 1.81 2.07 -1.18 -1.81 116.25 117.64 3gly h VAL 166 Ca -0.01 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 3gly h VAL 166 Cb 0.24 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3gly h VAL 166 CO 0.01 0.05 -0.11 0.00 0.02 0.00 0.00 177.57 177.54 3gly h ALA 167 N 1.27 1.62 0.22 1.67 0.00 -1.40 -1.28 119.26 121.35 3gly h ALA 167 Ca 0.19 -0.17 -0.32 0.00 0.00 0.00 0.00 54.91 54.61 3gly h ALA 167 Cb 0.18 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 17.93 3gly h ALA 167 CO -0.20 0.28 -1.43 0.37 0.00 0.00 0.00 179.25 178.27 3gly h GLN 168 N 0.16 0.46 0.00 0.00 4.15 -1.14 -2.44 115.11 116.29 3gly h GLN 168 Ca 0.03 -0.78 0.00 0.00 0.77 0.00 0.00 58.65 58.67 3gly h GLN 168 Cb 0.30 0.29 0.00 0.00 0.21 0.00 0.00 27.48 28.28 3gly h GLN 168 CO 0.02 1.37 0.00 0.66 -1.93 0.00 0.00 178.83 178.95 3gly n TYR 169 N -3.66 0.00 -0.31 3.99 4.01 -0.70 -4.73 117.16 115.76 3gly n TYR 169 Ca -0.15 -0.37 0.18 0.00 -0.16 0.00 0.00 57.90 57.39 3gly n TYR 169 Cb 1.08 -0.04 0.43 0.00 -0.31 0.00 0.00 39.34 40.51 3gly n TYR 169 CO 0.00 0.00 0.00 0.11 -0.46 0.00 0.00 176.86 176.51 3gly h TRP 170 N 0.00 0.79 -0.22 -0.72 5.08 -1.45 -2.50 115.95 116.93 3gly h TRP 170 Ca 0.00 0.03 -0.07 0.00 1.08 0.00 0.00 58.89 59.92 3gly h TRP 170 Cb 0.43 -0.24 -0.04 0.00 -3.00 0.00 0.00 29.16 26.31 3gly h TRP 170 CO 0.00 0.15 0.09 -1.71 -1.28 0.00 0.00 178.44 175.69 3gly n ASN 171 N -4.65 2.78 -4.30 0.11 4.05 -1.26 -4.82 115.26 107.16 3gly n ASN 171 Ca 0.23 -2.36 -0.26 0.00 0.45 0.00 0.00 54.58 52.63 3gly n ASN 171 Cb 0.71 -0.58 -0.14 0.00 1.23 0.00 0.00 39.78 41.00 3gly n ASN 171 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 3gly s GLN 172 N -1.24 1.40 0.94 1.20 -1.52 -0.94 -5.00 119.66 114.49 3gly s GLN 172 Ca 0.16 -1.09 -0.11 0.00 -1.95 0.00 0.00 55.36 52.37 3gly s GLN 172 Cb 0.13 -1.62 0.15 0.00 -0.22 0.00 0.00 33.01 31.45 3gly s GLN 172 CO 0.04 0.40 1.09 0.95 -0.25 0.00 0.00 175.29 177.52 3gly s THR 173 N -0.93 2.48 -0.00 -0.19 -4.23 -1.26 -4.91 115.64 106.59 3gly s THR 173 Ca 0.09 0.15 -0.03 0.00 -1.18 0.00 0.00 61.69 60.72 3gly s THR 173 Cb -0.09 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.31 3gly s THR 173 CO 0.03 -0.20 0.14 0.61 -0.54 0.00 0.00 174.62 174.66 3gly n GLY 174 N -0.46 0.57 3.87 3.99 0.00 -0.32 -4.92 105.19 107.92 3gly n GLY 174 Ca 0.08 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 3gly n GLY 174 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gly s TYR 175 N -2.87 3.46 1.09 1.61 1.51 -0.02 -0.06 117.35 122.07 3gly s TYR 175 Ca 0.03 0.90 -0.15 0.00 -1.01 0.00 0.00 57.07 56.84 3gly s TYR 175 Cb -0.00 -2.27 0.23 0.00 -0.11 0.00 0.00 41.96 39.81 3gly s TYR 175 CO -0.00 0.31 1.10 0.16 -1.11 0.00 0.00 175.55 176.01 3gly s ASP 176 N -2.23 1.88 0.58 2.29 -4.77 -0.96 -4.43 116.67 109.02 3gly s ASP 176 Ca 0.45 0.94 0.32 0.00 -3.30 0.00 0.00 52.55 50.96 3gly s ASP 176 Cb -0.12 -1.44 1.77 0.00 -1.09 0.00 0.00 42.92 42.04 3gly s ASP 176 CO 0.21 -3.57 2.19 0.17 0.70 0.00 0.00 175.17 174.87 3gly h LEU 177 N -2.20 0.00 -0.35 2.11 -0.00 -1.98 -0.44 115.31 112.45 3gly h LEU 177 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.37 3gly h LEU 177 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.98 3gly h LEU 177 CO 0.48 0.05 -0.05 0.79 -0.00 0.00 0.00 178.44 179.71 3gly n TRP 178 N -3.58 0.00 -3.02 0.17 5.03 -1.26 -4.94 117.44 109.83 3gly n TRP 178 Ca -0.02 0.00 -0.18 0.00 3.03 0.00 0.00 57.50 60.33 3gly n TRP 178 Cb 0.15 -0.09 0.04 0.00 -1.03 0.00 0.00 31.31 30.39 3gly n TRP 178 CO 0.00 0.00 0.00 0.39 -0.03 0.00 0.00 177.69 178.05 3gly n GLU 179 N -0.69 -4.68 0.00 -0.99 1.02 -0.18 -4.89 120.64 110.23 3gly n GLU 179 Ca 0.18 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 58.02 3gly n GLU 179 Cb 0.25 -5.18 0.00 0.00 -0.02 0.00 0.00 31.44 26.49 3gly n GLU 179 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3gly n GLU 180 N -3.57 1.18 -3.64 3.49 1.02 -1.26 -4.66 120.64 113.20 3gly n GLU 180 Ca -0.06 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.71 3gly n GLU 180 Cb 0.58 -0.68 -0.11 0.00 -0.02 0.00 0.00 31.44 31.21 3gly n GLU 180 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3gly s VAL 181 N -1.36 5.14 -0.54 2.62 1.01 -1.26 -4.98 120.40 121.04 3gly s VAL 181 Ca 0.00 0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.87 3gly s VAL 181 Cb 0.00 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 32.99 3gly s VAL 181 CO 0.00 0.28 0.84 0.21 0.00 0.00 0.00 175.10 176.43 3gly s ASN 182 N 1.61 6.30 0.00 3.32 3.04 -1.26 -2.26 114.94 125.69 3gly s ASN 182 Ca 0.07 -0.54 0.00 0.00 0.04 0.00 0.00 52.86 52.42 3gly s ASN 182 Cb -0.15 -2.39 0.00 0.00 -1.54 0.00 0.00 41.25 37.17 3gly s ASN 182 CO 0.09 -1.12 0.00 0.61 -3.04 0.00 0.00 177.10 173.64 3gly n GLY 183 N 5.14 1.25 3.01 1.21 0.00 0.91 -4.85 105.19 111.86 3gly n GLY 183 Ca -0.01 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3gly n GLY 183 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gly s SER 184 N 2.00 2.50 -0.03 1.61 0.15 -1.22 -1.17 113.70 117.53 3gly s SER 184 Ca 0.00 -0.43 0.06 0.00 0.70 0.00 0.00 55.95 56.28 3gly s SER 184 Cb 0.00 -1.08 -0.01 0.00 -1.71 0.00 0.00 66.02 63.22 3gly s SER 184 CO 0.00 -0.05 -0.22 -0.55 1.20 0.00 0.00 173.24 173.62 3gly s SER 185 N 1.38 2.62 0.14 5.45 0.15 -1.26 -0.85 113.70 121.32 3gly s SER 185 Ca 0.01 -0.41 -0.27 0.00 0.70 0.00 0.00 55.95 55.98 3gly s SER 185 Cb -0.13 -0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 63.69 3gly s SER 185 CO -0.07 0.25 1.59 0.15 1.20 0.00 0.00 173.24 176.35 3gly h PHE 186 N 5.80 -1.07 -0.39 3.44 3.57 -1.29 -1.54 116.94 125.46 3gly h PHE 186 Ca -0.37 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.26 3gly h PHE 186 Cb 1.15 0.49 -0.09 0.00 2.79 0.00 0.00 35.95 40.29 3gly h PHE 186 CO 0.41 -0.44 -0.28 0.35 -2.23 0.00 0.00 178.31 176.12 3gly h PHE 187 N -0.44 -0.75 -0.11 0.41 3.57 -1.81 0.12 116.94 117.94 3gly h PHE 187 Ca 0.09 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.68 3gly h PHE 187 Cb 0.59 0.39 -0.04 0.00 2.79 0.00 0.00 35.95 39.68 3gly h PHE 187 CO -0.47 -0.35 -0.12 1.15 -2.23 0.00 0.00 178.31 176.30 3gly h THR 188 N -0.21 0.68 -0.57 4.41 2.02 -1.84 -0.56 112.91 116.84 3gly h THR 188 Ca 0.18 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 3gly h THR 188 Cb 0.50 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3gly h THR 188 CO -0.51 0.00 0.32 0.40 0.37 0.00 0.00 175.52 176.10 3gly h ILE 189 N -0.14 1.18 -0.35 3.11 1.08 -0.54 -0.20 117.51 121.65 3gly h ILE 189 Ca 0.08 -0.43 -0.01 0.00 -0.39 0.00 0.00 64.86 64.11 3gly h ILE 189 Cb 0.26 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 34.43 3gly h ILE 189 CO -0.20 0.19 0.18 0.00 -0.69 0.00 0.00 178.15 177.63 3gly h ALA 190 N 1.15 0.45 0.00 1.87 0.00 -0.46 -1.51 119.26 120.76 3gly h ALA 190 Ca 0.20 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3gly h ALA 190 Cb 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3gly h ALA 190 CO -0.03 -0.01 -0.50 -0.39 0.00 0.00 0.00 179.25 178.31 3gly h VAL 191 N 0.43 1.06 -0.14 0.00 -1.51 -0.93 -2.72 116.25 112.43 3gly h VAL 191 Ca 0.12 -1.94 -0.03 0.00 -1.23 0.00 0.00 66.70 63.63 3gly h VAL 191 Cb 0.09 2.15 -0.00 0.00 -2.13 0.00 0.00 31.29 31.39 3gly h VAL 191 CO -0.02 0.49 -0.02 1.56 -1.23 0.00 0.00 177.57 178.36 3gly h GLN 192 N 0.00 0.26 -0.09 5.19 4.20 -0.67 -1.48 115.11 122.52 3gly h GLN 192 Ca -0.01 -0.09 0.04 0.00 0.06 0.00 0.00 58.65 58.66 3gly h GLN 192 Cb 1.11 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.81 3gly h GLN 192 CO 0.07 0.52 -0.23 1.25 -0.67 0.00 0.00 178.83 179.76 3gly h HIS 193 N -0.03 -0.62 -0.27 2.96 2.76 -1.23 -1.63 115.15 117.09 3gly h HIS 193 Ca 0.04 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.30 3gly h HIS 193 Cb 0.41 0.29 -0.06 0.00 1.55 0.00 0.00 27.41 29.60 3gly h HIS 193 CO 0.04 -0.32 -0.15 -0.09 -1.30 0.00 0.00 177.93 176.12 3gly h ARG 194 N -0.32 -0.11 -0.86 5.26 2.43 -1.48 -2.40 114.38 116.90 3gly h ARG 194 Ca 0.09 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.35 3gly h ARG 194 Cb 0.45 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.95 3gly h ARG 194 CO -0.27 -0.07 0.51 0.00 -1.51 0.00 0.00 179.97 178.63 3gly h ALA 195 N 1.09 1.21 -0.31 2.80 0.00 -0.58 -1.75 119.26 121.72 3gly h ALA 195 Ca 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3gly h ALA 195 Cb 0.33 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3gly h ALA 195 CO -0.34 0.19 0.15 -0.07 0.00 0.00 0.00 179.25 179.18 3gly h LEU 196 N 0.89 0.40 0.28 0.00 3.38 -0.83 0.16 115.31 119.59 3gly h LEU 196 Ca 0.40 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 3gly h LEU 196 Cb 0.29 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3gly h LEU 196 CO -0.22 0.41 -0.15 0.58 0.09 0.00 0.00 178.44 179.16 3gly h VAL 197 N 0.37 0.70 0.00 1.22 2.07 -1.27 -0.95 116.25 118.38 3gly h VAL 197 Ca 0.11 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 3gly h VAL 197 Cb 0.11 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3gly h VAL 197 CO -0.01 0.00 -0.12 1.05 0.02 0.00 0.00 177.57 178.50 3gly h GLU 198 N -0.40 0.00 -0.07 1.57 4.11 -1.27 -2.77 114.58 115.75 3gly h GLU 198 Ca -0.03 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.22 3gly h GLU 198 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3gly h GLU 198 CO 0.05 0.12 -0.72 0.78 0.07 0.00 0.00 179.01 179.32 3gly h GLY 199 N 2.23 0.40 0.91 1.06 0.00 -0.32 -1.78 103.07 105.56 3gly h GLY 199 Ca -0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 3gly h GLY 199 CO 0.02 0.50 -0.04 0.23 0.00 0.00 0.00 176.54 177.24 3gly h SER 200 N 0.25 0.61 -0.31 0.19 0.87 -0.92 0.30 113.55 114.54 3gly h SER 200 Ca -0.03 -0.34 -0.03 0.00 -1.23 0.00 0.00 61.79 60.17 3gly h SER 200 Cb 1.28 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 3gly h SER 200 CO 0.12 0.80 0.09 0.00 -0.53 0.00 0.00 176.83 177.30 3gly h ALA 201 N 0.83 0.40 -0.47 6.23 0.00 -1.42 -2.23 119.26 122.60 3gly h ALA 201 Ca 0.09 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3gly h ALA 201 Cb 0.51 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3gly h ALA 201 CO 0.02 0.05 0.25 0.35 0.00 0.00 0.00 179.25 179.93 3gly h PHE 202 N 0.34 0.47 -0.41 0.00 3.57 -1.17 -1.12 116.94 118.61 3gly h PHE 202 Ca 0.10 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.67 3gly h PHE 202 Cb 0.27 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 3gly h PHE 202 CO 0.01 0.25 0.11 0.00 -2.23 0.00 0.00 178.31 176.45 3gly h ALA 203 N 1.24 0.46 -0.76 2.41 0.00 -0.84 -0.76 119.26 121.02 3gly h ALA 203 Ca 0.20 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3gly h ALA 203 Cb 0.08 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3gly h ALA 203 CO -0.12 -0.29 0.35 1.15 0.00 0.00 0.00 179.25 180.34 3gly h THR 204 N 0.25 1.24 -0.27 0.00 2.02 -1.06 0.25 112.91 115.34 3gly h THR 204 Ca 0.20 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 3gly h THR 204 Cb 0.22 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3gly h THR 204 CO -0.23 0.29 0.16 0.00 0.37 0.00 0.00 175.52 176.11 3gly h ALA 205 N 1.18 1.77 -0.18 6.16 0.00 0.11 -1.37 119.26 126.93 3gly h ALA 205 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3gly h ALA 205 Cb 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3gly h ALA 205 CO -0.03 0.20 0.00 1.33 0.00 0.00 0.00 179.25 180.75 3gly n VAL 206 N -4.48 0.23 -1.45 0.00 0.24 -0.64 -4.90 118.33 107.33 3gly n VAL 206 Ca 0.01 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 3gly n VAL 206 Cb 0.08 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.84 3gly n VAL 206 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gly n GLY 207 N 1.14 0.75 0.00 7.63 0.00 -0.52 -4.97 105.19 109.22 3gly n GLY 207 Ca 0.16 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3gly n GLY 207 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gly n SER 208 N 1.51 0.00 -3.58 1.61 2.88 0.86 -5.01 113.62 111.88 3gly n SER 208 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 3gly n SER 208 Cb 0.35 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.78 3gly n SER 208 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3gly s SER 209 N 1.00 -0.45 -0.40 -3.46 1.04 -1.26 -3.83 113.70 106.34 3gly s SER 209 Ca 0.00 -0.23 0.07 0.00 0.48 0.00 0.00 55.95 56.27 3gly s SER 209 Cb 0.00 0.64 0.23 0.00 0.10 0.00 0.00 66.02 66.98 3gly s SER 209 CO 0.00 -1.10 0.47 0.00 0.98 0.00 0.00 173.24 173.59 3gly h SER 211 N 4.51 0.85 0.51 0.00 4.64 -1.99 -0.72 113.55 121.36 3gly h SER 211 Ca 0.13 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.42 3gly h SER 211 Cb 0.88 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 3gly h SER 211 CO 0.44 0.55 -0.22 4.11 -0.87 0.00 0.00 176.83 180.84 3gly h TRP 212 N 0.99 0.00 0.08 4.77 0.09 -1.93 -1.71 115.95 118.24 3gly h TRP 212 Ca 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 59.35 3gly h TRP 212 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.38 3gly h TRP 212 CO -0.03 0.22 -0.04 0.00 0.09 0.00 0.00 178.44 178.69 3gly h ASP 214 N -0.39 -0.03 -0.11 0.00 3.32 -0.98 -1.29 116.42 116.94 3gly h ASP 214 Ca -0.01 0.03 -0.17 0.00 0.02 0.00 0.00 57.03 56.89 3gly h ASP 214 Cb 0.33 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 3gly h ASP 214 CO 0.02 0.00 -0.54 0.77 -1.72 0.00 0.00 179.24 177.77 3gly h SER 215 N 0.05 0.77 0.83 6.45 4.64 -1.42 -3.36 113.55 121.52 3gly h SER 215 Ca 0.06 -0.41 -0.24 0.00 -0.47 0.00 0.00 61.79 60.73 3gly h SER 215 Cb 0.07 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 61.90 3gly h SER 215 CO -0.10 1.16 -1.23 1.56 -0.87 0.00 0.00 176.83 177.36 3gly h GLN 216 N 0.54 0.01 -0.28 4.77 1.08 -1.40 -3.39 115.11 116.44 3gly h GLN 216 Ca 0.01 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.27 3gly h GLN 216 Cb 1.11 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.47 3gly h GLN 216 CO 0.11 0.85 -0.24 0.00 -0.95 0.00 0.00 178.83 178.59 3gly h ALA 217 N 0.99 -0.11 0.00 3.87 0.00 -1.38 -0.99 119.26 121.65 3gly h ALA 217 Ca -0.10 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3gly h ALA 217 Cb 1.85 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 20.16 3gly h ALA 217 CO 0.12 -0.66 -0.05 -1.35 0.00 0.00 0.00 179.25 177.31 3gly h PRO 218 N -0.23 0.00 0.10 0.00 0.11 -1.78 -1.64 132.00 128.56 3gly h PRO 218 Ca 0.15 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.99 3gly h PRO 218 Cb 0.46 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.58 3gly h PRO 218 CO -0.41 0.05 -1.17 1.96 -0.21 0.00 0.00 178.00 178.21 3gly h GLN 219 N 0.00 0.35 -0.45 1.05 1.08 -1.42 -1.50 115.11 114.23 3gly h GLN 219 Ca -0.00 -0.52 -0.08 0.00 -1.45 0.00 0.00 58.65 56.60 3gly h GLN 219 Cb 0.11 0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 3gly h GLN 219 CO 0.01 1.21 -0.04 0.82 -0.95 0.00 0.00 178.83 179.88 3gly h ILE 220 N 0.14 1.27 -0.18 2.54 2.04 -0.55 -1.78 117.51 120.98 3gly h ILE 220 Ca -0.13 -1.12 0.01 0.00 1.00 0.00 0.00 64.86 64.62 3gly h ILE 220 Cb 1.87 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 3gly h ILE 220 CO 0.20 0.38 0.09 0.25 0.00 0.00 0.00 178.15 179.07 3gly h LEU 221 N 0.66 0.14 -0.14 1.44 5.85 -1.31 0.80 115.31 122.75 3gly h LEU 221 Ca 0.12 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.90 3gly h LEU 221 Cb 0.56 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 3gly h LEU 221 CO 0.03 0.11 -0.27 0.00 -0.34 0.00 0.00 178.44 177.97 3gly h TYR 223 N -0.33 1.17 -0.70 0.00 3.20 -0.91 -2.94 116.97 116.46 3gly h TYR 223 Ca 0.10 0.03 0.19 0.00 3.14 0.00 0.00 58.73 62.19 3gly h TYR 223 Cb 0.49 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3gly h TYR 223 CO -0.36 0.74 0.50 1.25 -1.64 0.00 0.00 178.16 178.64 3gly h LEU 224 N 1.27 0.08 -2.00 2.82 5.85 -0.14 -2.16 115.31 121.04 3gly h LEU 224 Ca 0.34 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3gly h LEU 224 Cb -0.14 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 3gly h LEU 224 CO -0.07 0.04 0.01 1.56 -0.34 0.00 0.00 178.44 179.64 3gly h GLN 225 N 0.09 0.01 0.00 1.25 1.08 -1.41 -2.52 115.11 113.60 3gly h GLN 225 Ca 0.34 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.54 3gly h GLN 225 Cb 1.22 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.65 3gly h GLN 225 CO -0.03 0.00 -0.00 0.77 -0.95 0.00 0.00 178.83 178.62 3gly h SER 226 N 0.01 0.00 1.52 1.46 0.02 -1.57 -2.69 113.55 112.30 3gly h SER 226 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3gly h SER 226 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3gly h SER 226 CO -0.00 0.00 0.00 -0.26 -1.14 0.00 0.00 176.83 175.43 3gly h PHE 227 N 0.00 0.00 -3.02 3.45 -1.00 -1.64 -3.44 116.94 111.29 3gly h PHE 227 Ca -0.00 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.22 3gly h PHE 227 Cb 0.19 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.72 3gly h PHE 227 CO 0.00 0.00 0.77 -0.46 -1.61 0.00 0.00 178.31 177.01 3gly s TRP 228 N -3.36 3.06 -0.48 -0.55 -0.11 -1.02 0.37 118.94 116.85 3gly s TRP 228 Ca 0.05 1.13 0.23 0.00 1.22 0.00 0.00 56.10 58.73 3gly s TRP 228 Cb 0.07 -3.45 0.01 0.00 -1.50 0.00 0.00 33.47 28.60 3gly s TRP 228 CO 0.60 -1.47 0.98 0.25 -4.62 0.00 0.00 176.95 172.69 3gly n THR 229 N 4.88 0.24 0.00 5.86 -2.24 -0.05 -4.92 114.28 118.05 3gly n THR 229 Ca 0.12 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3gly n THR 229 Cb 0.46 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3gly n THR 229 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gly n GLY 230 N 1.32 1.60 0.00 3.38 0.00 -1.26 -4.86 105.19 105.37 3gly n GLY 230 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3gly n GLY 230 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gly n SER 231 N 0.00 2.13 -3.08 1.61 7.64 -1.26 -5.09 113.62 115.57 3gly n SER 231 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 3gly n SER 231 Cb 0.00 0.12 0.02 0.00 -1.01 0.00 0.00 64.21 63.34 3gly n SER 231 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 3gly s TYR 232 N -1.47 0.10 -0.23 1.43 1.13 -1.26 -4.32 117.35 112.72 3gly s TYR 232 Ca 0.00 -0.68 -0.16 0.00 -1.41 0.00 0.00 57.07 54.81 3gly s TYR 232 Cb 0.00 0.80 -0.04 0.00 -1.10 0.00 0.00 41.96 41.62 3gly s TYR 232 CO 0.00 -1.36 0.43 0.42 -2.51 0.00 0.00 175.55 172.52 3gly s ILE 233 N -2.31 5.16 0.11 -3.49 1.01 -1.26 -0.87 121.20 119.54 3gly s ILE 233 Ca 0.17 0.73 -0.31 0.00 0.00 0.00 0.00 60.65 61.25 3gly s ILE 233 Cb -0.04 -3.75 -0.08 0.00 0.01 0.00 0.00 42.46 38.59 3gly s ILE 233 CO 0.09 0.19 1.47 -0.22 0.00 0.00 0.00 174.94 176.46 3gly s LEU 234 N 1.75 4.36 0.09 2.97 2.96 0.16 -4.68 118.68 126.29 3gly s LEU 234 Ca 0.19 2.39 -0.15 0.00 -0.22 0.00 0.00 54.13 56.34 3gly s LEU 234 Cb -0.15 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.85 3gly s LEU 234 CO 0.09 -0.73 1.39 0.00 -1.32 0.00 0.00 176.35 175.78 3gly h ALA 235 N 7.10 0.38 -2.58 5.97 0.00 -1.53 -3.41 119.26 125.19 3gly h ALA 235 Ca -0.42 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 53.95 3gly h ALA 235 Cb 1.20 -0.07 -0.21 0.00 0.00 0.00 0.00 17.79 18.71 3gly h ALA 235 CO 0.89 0.42 -0.29 -0.80 0.00 0.00 0.00 179.25 179.47 3gly s ASN 236 N -6.55 -0.21 0.26 0.00 0.01 -1.26 -0.97 114.94 106.21 3gly s ASN 236 Ca -0.12 0.16 -0.07 0.00 -0.71 0.00 0.00 52.86 52.12 3gly s ASN 236 Cb 0.08 0.36 -0.06 0.00 0.41 0.00 0.00 41.25 42.05 3gly s ASN 236 CO 0.83 -0.40 0.54 -0.36 -1.51 0.00 0.00 177.10 176.20 3gly s PHE 237 N -1.10 3.46 -0.39 2.20 0.08 -0.03 -4.30 117.98 117.89 3gly s PHE 237 Ca -0.12 0.73 -0.00 0.00 0.12 0.00 0.00 56.93 57.66 3gly s PHE 237 Cb -0.05 -2.16 0.00 0.00 -0.57 0.00 0.00 43.02 40.24 3gly s PHE 237 CO 0.04 0.22 0.06 -0.25 -0.10 0.00 0.00 175.22 175.19 3gly n ASP 238 N -0.57 -2.33 -4.33 1.36 8.00 -1.26 -3.44 116.55 113.97 3gly n ASP 238 Ca -0.01 -0.03 -0.25 0.00 0.71 0.00 0.00 54.79 55.21 3gly n ASP 238 Cb 0.53 -1.53 -0.12 0.00 -0.02 0.00 0.00 41.12 39.98 3gly n ASP 238 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3gly s SER 239 N -2.85 2.80 0.00 -2.24 0.15 -1.26 -4.86 113.70 105.44 3gly s SER 239 Ca 0.03 -0.76 0.23 0.00 0.70 0.00 0.00 55.95 56.15 3gly s SER 239 Cb -0.01 -0.17 0.08 0.00 -1.71 0.00 0.00 66.02 64.21 3gly s SER 239 CO 0.04 0.06 1.16 -1.54 1.20 0.00 0.00 173.24 174.16 3gly n SER 240 N 0.77 2.31 -4.32 5.45 3.41 -1.26 -4.97 113.62 115.02 3gly n SER 240 Ca -0.17 -1.66 -0.29 0.00 -0.26 0.00 0.00 58.87 56.49 3gly n SER 240 Cb 0.55 0.32 0.18 0.00 -0.26 0.00 0.00 64.21 64.99 3gly n SER 240 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3gly s ARG 241 N -2.33 0.32 0.25 4.33 0.52 -1.26 -4.96 118.95 115.83 3gly s ARG 241 Ca 0.22 -0.02 -0.02 0.00 -0.52 0.00 0.00 55.73 55.39 3gly s ARG 241 Cb 0.19 -1.77 0.30 0.00 0.52 0.00 0.00 34.95 34.19 3gly s ARG 241 CO 0.48 -2.69 1.70 0.66 0.02 0.00 0.00 175.30 175.47 3gly h SER 242 N -1.85 0.69 0.00 0.23 4.64 -2.01 -3.47 113.55 111.79 3gly h SER 242 Ca -0.47 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 60.63 3gly h SER 242 Cb 1.29 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3gly h SER 242 CO 0.47 0.86 0.00 0.61 -0.87 0.00 0.00 176.83 177.90 3gly n GLY 243 N -0.42 0.52 3.66 -0.77 0.00 -1.26 -4.93 105.19 101.99 3gly n GLY 243 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 3gly n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gly s LYS 244 N -0.93 4.26 -0.22 1.61 1.02 -1.26 -1.33 119.74 122.90 3gly s LYS 244 Ca 0.00 1.36 -0.17 0.00 0.02 0.00 0.00 55.97 57.17 3gly s LYS 244 Cb 0.00 -3.64 0.06 0.00 -0.52 0.00 0.00 37.83 33.73 3gly s LYS 244 CO 0.00 -0.62 0.56 0.34 -0.92 0.00 0.00 175.35 174.71 3gly s ASP 245 N 1.20 -0.64 0.00 2.83 -1.08 -1.26 -4.30 116.67 113.42 3gly s ASP 245 Ca 0.44 1.17 0.01 0.00 -0.52 0.00 0.00 52.55 53.65 3gly s ASP 245 Cb -0.15 1.14 0.05 0.00 -1.46 0.00 0.00 42.92 42.49 3gly s ASP 245 CO 0.06 -0.20 1.04 0.41 0.52 0.00 0.00 175.17 176.99 3gly n THR 246 N 3.26 1.92 -0.27 1.71 -1.04 0.38 -1.34 114.28 118.91 3gly n THR 246 Ca -0.16 0.48 0.08 0.00 -2.04 0.00 0.00 64.05 62.41 3gly n THR 246 Cb 0.56 -1.46 0.23 0.00 -1.82 0.00 0.00 70.33 67.84 3gly n THR 246 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 3gly h ASN 247 N 0.00 0.15 0.46 8.00 -0.73 -1.95 0.99 115.58 122.51 3gly h ASN 247 Ca 0.00 0.15 -0.10 0.00 1.87 0.00 0.00 56.30 58.22 3gly h ASN 247 Cb 0.02 0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.76 3gly h ASN 247 CO 0.00 -0.01 -0.47 0.71 -0.37 0.00 0.00 177.43 177.28 3gly h THR 248 N 0.34 1.34 -0.13 -3.57 1.35 -1.58 0.47 112.91 111.12 3gly h THR 248 Ca 0.47 -1.63 -0.09 0.00 -0.55 0.00 0.00 66.41 64.61 3gly h THR 248 Cb 0.83 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 3gly h THR 248 CO -0.51 0.47 -0.26 -0.07 -0.25 0.00 0.00 175.52 174.89 3gly h LEU 249 N 0.02 0.46 -0.66 3.87 4.07 -1.06 -2.70 115.31 119.31 3gly h LEU 249 Ca -0.00 -0.55 0.01 0.00 0.08 0.00 0.00 57.88 57.42 3gly h LEU 249 Cb 0.85 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 42.42 3gly h LEU 249 CO 0.06 0.93 0.43 -0.07 -1.08 0.00 0.00 178.44 178.71 3gly h LEU 250 N 0.01 0.73 -0.69 1.67 3.38 -0.88 -1.53 115.31 118.01 3gly h LEU 250 Ca 0.01 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3gly h LEU 250 Cb 0.85 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.36 3gly h LEU 250 CO 0.06 0.52 0.35 1.23 0.09 0.00 0.00 178.44 180.69 3gly h GLY 251 N 0.87 1.03 0.62 0.83 0.00 -0.82 -0.27 103.07 105.32 3gly h GLY 251 Ca 0.25 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 3gly h GLY 251 CO -0.07 0.08 -0.01 0.23 0.00 0.00 0.00 176.54 176.77 3gly h SER 252 N 0.61 -0.02 -0.53 0.19 0.87 -1.08 -3.05 113.55 110.54 3gly h SER 252 Ca 0.33 -0.37 -0.10 0.00 -1.23 0.00 0.00 61.79 60.42 3gly h SER 252 Cb 0.33 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 3gly h SER 252 CO -0.25 0.36 -0.04 0.16 -0.53 0.00 0.00 176.83 176.53 3gly h ILE 253 N -0.40 1.26 0.00 2.23 3.07 -1.14 -0.83 117.51 121.69 3gly h ILE 253 Ca -0.00 -1.17 0.00 0.00 1.55 0.00 0.00 64.86 65.24 3gly h ILE 253 Cb 0.39 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 37.82 3gly h ILE 253 CO 0.00 0.42 0.00 1.41 -1.05 0.00 0.00 178.15 178.93 3gly n HIS 254 N -4.17 0.00 -0.60 0.16 8.25 -0.13 -2.78 115.22 115.96 3gly n HIS 254 Ca 0.02 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.54 3gly n HIS 254 Cb 0.36 -0.36 0.09 0.00 1.12 0.00 0.00 29.99 31.21 3gly n HIS 254 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3gly n THR 255 N -1.36 1.52 -2.08 1.59 -2.24 -0.99 -5.02 114.28 105.70 3gly n THR 255 Ca 0.10 -1.68 -0.42 0.00 -2.27 0.00 0.00 64.05 59.78 3gly n THR 255 Cb 0.24 0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.53 3gly n THR 255 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3gly s PHE 256 N -2.04 3.04 -0.25 4.78 5.36 -0.35 -4.97 117.98 123.55 3gly s PHE 256 Ca 0.19 0.76 -0.02 0.00 -0.96 0.00 0.00 56.93 56.91 3gly s PHE 256 Cb 0.16 -3.79 0.03 0.00 -0.34 0.00 0.00 43.02 39.08 3gly s PHE 256 CO 0.03 -2.88 -0.05 0.34 -1.46 0.00 0.00 175.22 171.19 3gly s ASP 257 N 1.37 4.38 0.05 6.13 -1.08 -1.26 -4.92 116.67 121.34 3gly s ASP 257 Ca 0.67 -0.89 0.03 0.00 -0.52 0.00 0.00 52.55 51.84 3gly s ASP 257 Cb -0.39 -1.67 0.17 0.00 -1.46 0.00 0.00 42.92 39.57 3gly s ASP 257 CO 0.30 -0.14 1.10 -0.81 0.52 0.00 0.00 175.17 176.14 3gly n PRO 258 N 4.67 0.02 0.00 4.34 -0.04 -1.26 -1.54 135.00 141.19 3gly n PRO 258 Ca -0.16 0.52 0.11 0.00 -0.04 0.00 0.00 63.50 63.92 3gly n PRO 258 Cb 0.47 -1.57 -0.01 0.00 -0.04 0.00 0.00 33.50 32.35 3gly n PRO 258 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3gly n GLU 259 N -1.61 0.13 -2.69 0.54 -0.58 -1.26 -4.95 120.64 110.22 3gly n GLU 259 Ca -0.00 -0.10 -0.34 0.00 -0.42 0.00 0.00 57.16 56.29 3gly n GLU 259 Cb 0.01 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.32 3gly n GLU 259 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3gly s ALA 260 N -2.94 3.00 0.72 0.62 0.00 -0.59 -4.91 121.76 117.67 3gly s ALA 260 Ca 0.10 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.57 3gly s ALA 260 Cb 0.17 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 20.09 3gly s ALA 260 CO 0.79 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.90 3gly n GLY 261 N -0.32 0.14 2.55 0.00 0.00 -1.26 -4.93 105.19 101.38 3gly n GLY 261 Ca 0.07 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 3gly n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gly s ASP 263 N -0.17 7.07 0.18 0.00 1.01 -1.26 -4.26 116.67 119.25 3gly s ASP 263 Ca 0.49 1.66 0.02 0.00 0.71 0.00 0.00 52.55 55.43 3gly s ASP 263 Cb 0.18 -2.55 0.07 0.00 1.01 0.00 0.00 42.92 41.63 3gly s ASP 263 CO -0.10 -0.62 1.43 0.44 0.21 0.00 0.00 175.17 176.53 3gly h ASP 264 N 7.59 0.30 -0.39 0.27 3.32 -1.93 -1.63 116.42 123.95 3gly h ASP 264 Ca -0.29 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.54 3gly h ASP 264 Cb 1.13 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 3gly h ASP 264 CO 0.92 0.97 0.24 0.77 -1.72 0.00 0.00 179.24 180.42 3gly h SER 265 N 0.15 0.47 -0.20 6.45 4.64 -1.92 -2.36 113.55 120.78 3gly h SER 265 Ca -0.03 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3gly h SER 265 Cb 1.38 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3gly h SER 265 CO 0.12 0.36 0.00 0.35 -0.87 0.00 0.00 176.83 176.79 3gly n THR 266 N -4.46 0.38 -3.63 2.95 -2.24 -1.23 -4.82 114.28 101.23 3gly n THR 266 Ca 0.03 -0.69 -0.23 0.00 -2.27 0.00 0.00 64.05 60.89 3gly n THR 266 Cb 0.08 1.02 0.06 0.00 -2.10 0.00 0.00 70.33 69.39 3gly n THR 266 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3gly n PHE 267 N 0.92 -2.44 -0.99 4.78 3.01 -0.89 -4.96 117.46 116.89 3gly n PHE 267 Ca 0.12 0.95 -0.32 0.00 1.01 0.00 0.00 57.45 59.21 3gly n PHE 267 Cb 0.44 -4.75 0.13 0.00 -0.01 0.00 0.00 39.48 35.29 3gly n PHE 267 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3gly s GLN 268 N -6.06 1.57 0.33 -1.08 -1.52 -0.66 -4.63 119.66 107.60 3gly s GLN 268 Ca 0.35 1.49 0.07 0.00 -1.95 0.00 0.00 55.36 55.33 3gly s GLN 268 Cb -0.16 -1.79 0.77 0.00 -0.22 0.00 0.00 33.01 31.60 3gly s GLN 268 CO 0.76 -2.21 1.83 -1.35 -0.25 0.00 0.00 175.29 174.06 3gly h PRO 269 N -1.35 0.73 -0.04 2.91 0.11 -1.89 -0.73 132.00 131.73 3gly h PRO 269 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gly h PRO 269 Cb 1.26 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3gly h PRO 269 CO 0.46 0.48 0.00 0.00 -0.21 0.00 0.00 178.00 178.73 3gly s SER 271 N -1.95 6.43 0.33 0.00 1.04 -0.28 -4.80 113.70 114.46 3gly s SER 271 Ca 0.35 2.80 0.10 0.00 0.48 0.00 0.00 55.95 59.67 3gly s SER 271 Cb 0.21 -2.65 0.87 0.00 0.10 0.00 0.00 66.02 64.55 3gly s SER 271 CO 0.32 -0.79 1.76 -0.65 0.98 0.00 0.00 173.24 174.86 3gly h PRO 272 N 2.95 0.60 -0.32 4.02 0.11 -1.88 -0.21 132.00 137.26 3gly h PRO 272 Ca -0.50 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 3gly h PRO 272 Cb 1.24 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3gly h PRO 272 CO 0.64 0.40 0.03 0.00 -0.21 0.00 0.00 178.00 178.85 3gly h ARG 273 N 0.62 0.55 -0.53 1.05 3.08 -1.92 0.62 114.38 117.84 3gly h ARG 273 Ca 0.61 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 60.43 3gly h ARG 273 Cb 1.14 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 3gly h ARG 273 CO -0.40 0.66 0.04 0.00 -1.07 0.00 0.00 179.97 179.20 3gly h ALA 274 N 0.87 1.08 -0.13 0.04 0.00 -1.46 -0.75 119.26 118.91 3gly h ALA 274 Ca 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3gly h ALA 274 Cb 0.39 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3gly h ALA 274 CO 0.01 0.59 -0.03 -0.07 0.00 0.00 0.00 179.25 179.75 3gly h LEU 275 N 0.81 0.24 -0.70 0.00 3.38 -0.90 -0.64 115.31 117.50 3gly h LEU 275 Ca 0.16 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.80 3gly h LEU 275 Cb 0.43 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3gly h LEU 275 CO 0.01 0.55 0.45 0.00 0.09 0.00 0.00 178.44 179.54 3gly h ALA 276 N 0.70 0.92 -0.54 1.53 0.00 -0.80 -2.64 119.26 118.43 3gly h ALA 276 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gly h ALA 276 Cb 0.44 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3gly h ALA 276 CO 0.01 0.23 0.34 -0.97 0.00 0.00 0.00 179.25 178.86 3gly h ASN 277 N 0.87 0.64 -0.44 0.00 -1.24 -1.04 -2.49 115.58 111.89 3gly h ASN 277 Ca 0.28 -0.04 0.07 0.00 0.71 0.00 0.00 56.30 57.32 3gly h ASN 277 Cb 0.00 -0.16 -0.06 0.00 0.73 0.00 0.00 38.32 38.83 3gly h ASN 277 CO -0.10 0.49 0.09 -0.74 -1.29 0.00 0.00 177.43 175.87 3gly h HIS 278 N 0.73 0.15 -0.25 0.67 2.76 -0.76 -1.00 115.15 117.45 3gly h HIS 278 Ca 0.20 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.37 3gly h HIS 278 Cb -0.05 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 3gly h HIS 278 CO -0.03 0.01 0.08 -0.22 -1.30 0.00 0.00 177.93 176.47 3gly h LYS 279 N 0.22 0.38 -0.55 5.26 3.64 -1.28 -1.14 116.57 123.11 3gly h LYS 279 Ca 0.21 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3gly h LYS 279 Cb 0.27 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 3gly h LYS 279 CO -0.28 0.45 0.33 0.93 -2.27 0.00 0.00 179.45 178.62 3gly h GLU 280 N 0.24 0.64 0.18 1.90 4.39 -0.99 -0.09 114.58 120.84 3gly h GLU 280 Ca 0.08 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3gly h GLU 280 Cb 0.23 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3gly h GLU 280 CO -0.00 0.43 -0.09 0.28 -1.16 0.00 0.00 179.01 178.47 3gly h VAL 281 N 0.66 0.93 -0.44 3.13 2.07 -1.13 -2.82 116.25 118.66 3gly h VAL 281 Ca 0.22 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3gly h VAL 281 Cb 0.02 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3gly h VAL 281 CO -0.09 0.15 0.29 0.58 0.02 0.00 0.00 177.57 178.51 3gly h VAL 282 N -0.57 1.11 -0.05 2.57 2.07 -1.18 -2.22 116.25 117.99 3gly h VAL 282 Ca -0.02 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.30 3gly h VAL 282 Cb 0.42 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3gly h VAL 282 CO 0.04 0.11 0.05 0.44 0.02 0.00 0.00 177.57 178.23 3gly h ASP 283 N 0.59 0.00 0.65 0.57 5.19 -1.04 -2.27 116.42 120.11 3gly h ASP 283 Ca 0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 3gly h ASP 283 Cb -0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.44 3gly h ASP 283 CO -0.03 0.00 0.00 0.77 -3.12 0.00 0.00 179.24 176.86 3gly h SER 284 N 0.00 0.00 0.00 6.45 4.64 -1.13 -3.01 113.55 120.50 3gly h SER 284 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3gly h SER 284 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3gly h SER 284 CO -0.00 0.00 -1.15 0.49 -0.87 0.00 0.00 176.83 175.30 3gly n PHE 285 N -2.59 0.00 -0.22 4.77 3.72 -0.85 -4.60 117.46 117.69 3gly n PHE 285 Ca 0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.40 3gly n PHE 285 Cb 0.21 -0.10 0.10 0.00 -0.94 0.00 0.00 39.48 38.75 3gly n PHE 285 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gly h ARG 286 N 0.00 0.55 -0.46 -1.08 3.08 -1.60 -3.14 114.38 111.72 3gly h ARG 286 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3gly h ARG 286 Cb 0.57 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3gly h ARG 286 CO 0.00 0.37 0.00 -1.13 -1.07 0.00 0.00 179.97 178.14 3gly n SER 287 N -4.87 3.55 -0.00 7.04 3.41 -1.26 -4.41 113.62 117.08 3gly n SER 287 Ca 0.08 -1.99 0.07 0.00 -0.26 0.00 0.00 58.87 56.78 3gly n SER 287 Cb 0.21 -0.30 -0.08 0.00 -0.26 0.00 0.00 64.21 63.78 3gly n SER 287 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3gly n ILE 288 N 1.50 0.00 -4.22 -1.33 -5.35 -1.19 -4.89 119.36 103.87 3gly n ILE 288 Ca 0.20 -0.17 -0.33 0.00 -0.27 0.00 0.00 62.75 62.18 3gly n ILE 288 Cb 0.60 0.96 -0.16 0.00 -1.74 0.00 0.00 39.64 39.30 3gly n ILE 288 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3gly s TYR 289 N -2.41 2.78 0.51 4.28 2.02 -1.24 -4.98 117.35 118.31 3gly s TYR 289 Ca 0.05 -1.51 0.22 0.00 -0.37 0.00 0.00 57.07 55.46 3gly s TYR 289 Cb 0.11 -1.92 1.30 0.00 -0.40 0.00 0.00 41.96 41.06 3gly s TYR 289 CO 0.60 -0.74 2.02 1.15 -1.57 0.00 0.00 175.55 177.01 3gly h THR 290 N 5.89 0.81 0.00 -0.71 2.02 -1.79 0.28 112.91 119.40 3gly h THR 290 Ca -0.43 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 3gly h THR 290 Cb 1.15 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 3gly h THR 290 CO 0.62 0.01 -0.02 0.25 0.37 0.00 0.00 175.52 176.75 3gly h LEU 291 N 0.08 0.00 -0.63 2.58 5.85 -1.54 -2.25 115.31 119.41 3gly h LEU 291 Ca 0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3gly h LEU 291 Cb 0.77 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3gly h LEU 291 CO -0.02 0.02 -0.47 0.59 -0.34 0.00 0.00 178.44 178.22 3gly n ASN 292 N -3.20 1.44 -4.64 1.25 3.02 0.97 -4.94 115.26 109.16 3gly n ASN 292 Ca -0.02 -1.14 -0.48 0.00 -0.03 0.00 0.00 54.58 52.92 3gly n ASN 292 Cb 0.18 0.41 -0.04 0.00 -0.61 0.00 0.00 39.78 39.72 3gly n ASN 292 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3gly n ASP 293 N -0.53 2.59 0.00 6.41 9.92 -0.85 -2.28 116.55 131.81 3gly n ASP 293 Ca 0.09 1.10 0.00 0.00 -0.53 0.00 0.00 54.79 55.46 3gly n ASP 293 Cb 0.40 -1.36 0.00 0.00 -0.64 0.00 0.00 41.12 39.52 3gly n ASP 293 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3gly n GLY 294 N 2.97 3.18 3.77 0.44 0.00 -1.26 -5.04 105.19 109.24 3gly n GLY 294 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3gly n GLY 294 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gly s LEU 295 N 0.00 4.09 0.56 0.99 1.43 -0.96 -5.04 118.68 119.75 3gly s LEU 295 Ca 0.00 2.36 0.02 0.00 -1.03 0.00 0.00 54.13 55.47 3gly s LEU 295 Cb 0.00 -4.14 0.05 0.00 0.03 0.00 0.00 46.19 42.13 3gly s LEU 295 CO 0.00 -0.84 0.79 -0.94 0.23 0.00 0.00 176.35 175.59 3gly s SER 296 N -1.22 5.17 0.31 2.29 1.04 -1.26 -4.98 113.70 115.05 3gly s SER 296 Ca 0.61 -0.13 0.23 0.00 0.48 0.00 0.00 55.95 57.14 3gly s SER 296 Cb -0.30 -0.69 1.14 0.00 0.10 0.00 0.00 66.02 66.27 3gly s SER 296 CO 0.37 -1.22 1.70 0.47 0.98 0.00 0.00 173.24 175.55 3gly n ASP 297 N -2.37 0.63 -0.37 7.02 8.00 -1.26 -1.13 116.55 127.07 3gly n ASP 297 Ca 0.09 0.74 0.13 0.00 0.71 0.00 0.00 54.79 56.46 3gly n ASP 297 Cb 0.60 -0.84 0.33 0.00 -0.02 0.00 0.00 41.12 41.19 3gly n ASP 297 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3gly n SER 298 N -2.28 1.38 -4.59 -2.24 2.88 -1.26 -4.82 113.62 102.69 3gly n SER 298 Ca -0.00 -1.16 -0.31 0.00 -1.33 0.00 0.00 58.87 56.07 3gly n SER 298 Cb 0.11 0.16 -0.10 0.00 -0.75 0.00 0.00 64.21 63.62 3gly n SER 298 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3gly s GLU 299 N -2.38 2.32 0.43 -1.46 2.02 -0.29 -4.88 118.70 114.47 3gly s GLU 299 Ca 0.26 -0.89 -0.25 0.00 0.02 0.00 0.00 54.97 54.11 3gly s GLU 299 Cb 0.19 -2.39 -0.08 0.00 0.10 0.00 0.00 34.13 31.95 3gly s GLU 299 CO 0.48 0.55 1.28 0.00 0.02 0.00 0.00 175.26 177.59 3gly s ALA 300 N -1.13 3.15 0.25 5.21 0.00 -1.26 -4.81 121.76 123.16 3gly s ALA 300 Ca 0.20 1.18 0.04 0.00 0.00 0.00 0.00 51.96 53.38 3gly s ALA 300 Cb -0.11 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 3gly s ALA 300 CO 0.12 -0.85 -0.00 0.14 0.00 0.00 0.00 175.76 175.16 3gly s VAL 301 N -1.32 1.12 0.10 0.00 -7.23 -1.26 -4.90 120.40 106.90 3gly s VAL 301 Ca 0.60 -2.04 -0.31 0.00 -1.81 0.00 0.00 61.98 58.42 3gly s VAL 301 Cb -0.36 -2.41 -0.07 0.00 0.56 0.00 0.00 36.38 34.10 3gly s VAL 301 CO 0.46 -0.28 1.26 0.00 -0.31 0.00 0.00 175.10 176.22 3gly s ALA 302 N -3.36 3.46 -0.02 1.32 0.00 -1.26 -4.89 121.76 117.00 3gly s ALA 302 Ca 0.29 0.95 0.07 0.00 0.00 0.00 0.00 51.96 53.27 3gly s ALA 302 Cb 0.06 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 3gly s ALA 302 CO 0.10 -0.48 -0.22 0.08 0.00 0.00 0.00 175.76 175.24 3gly s VAL 303 N 0.89 2.40 0.00 0.00 1.01 -1.26 -4.83 120.40 118.62 3gly s VAL 303 Ca 0.60 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3gly s VAL 303 Cb -0.32 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.17 3gly s VAL 303 CO 0.31 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.57 3gly n GLY 304 N 2.30 3.96 0.05 4.51 0.00 -1.26 -1.16 105.19 113.59 3gly n GLY 304 Ca -0.16 -2.01 -0.01 0.00 0.00 0.00 0.00 46.02 43.83 3gly n GLY 304 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gly h ARG 305 N 0.00 0.00 -3.26 1.61 3.08 -1.95 -3.41 114.38 110.45 3gly h ARG 305 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 3gly h ARG 305 Cb 0.00 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 29.84 3gly h ARG 305 CO 0.00 0.00 -0.39 1.52 -1.07 0.00 0.00 179.97 180.03 3gly s TYR 306 N -1.66 -0.09 0.60 3.04 1.13 -1.26 -0.47 117.35 118.63 3gly s TYR 306 Ca -0.04 0.13 0.33 0.00 -1.41 0.00 0.00 57.07 56.09 3gly s TYR 306 Cb 0.01 0.03 1.95 0.00 -1.10 0.00 0.00 41.96 42.85 3gly s TYR 306 CO 0.06 -0.32 2.27 -1.00 -2.51 0.00 0.00 175.55 174.06 3gly h PRO 307 N 4.26 0.00 -0.00 -3.49 0.13 -1.88 -2.39 132.00 128.63 3gly h PRO 307 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3gly h PRO 307 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3gly h PRO 307 CO 0.40 0.01 -0.27 0.39 -0.23 0.00 0.00 178.00 178.29 3gly n GLU 308 N -3.64 0.43 -1.63 0.86 4.71 -1.26 -4.96 120.64 115.14 3gly n GLU 308 Ca -0.03 -0.21 -0.53 0.00 -0.01 0.00 0.00 57.16 56.38 3gly n GLU 308 Cb 0.09 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 28.96 3gly n GLU 308 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3gly n ASP 309 N -1.10 2.04 -0.26 1.62 2.03 -0.90 -4.91 116.55 115.06 3gly n ASP 309 Ca 0.10 1.10 0.05 0.00 0.52 0.00 0.00 54.79 56.56 3gly n ASP 309 Cb 0.32 -1.20 0.01 0.00 -0.72 0.00 0.00 41.12 39.53 3gly n ASP 309 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3gly n SER 310 N 3.57 1.32 -4.61 1.67 7.64 -1.26 -3.50 113.62 118.45 3gly n SER 310 Ca 0.21 -1.16 -0.45 0.00 1.01 0.00 0.00 58.87 58.48 3gly n SER 310 Cb 0.18 0.40 -0.04 0.00 -1.01 0.00 0.00 64.21 63.75 3gly n SER 310 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gly n TYR 311 N -0.13 2.14 -2.06 1.43 9.36 -1.26 -0.32 117.16 126.32 3gly n TYR 311 Ca 0.05 -0.12 -0.20 0.00 3.32 0.00 0.00 57.90 60.95 3gly n TYR 311 Cb 0.22 -2.71 -0.04 0.00 -0.63 0.00 0.00 39.34 36.18 3gly n TYR 311 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3gly n TYR 312 N 9.28 -0.66 -0.12 2.98 4.01 -1.26 -0.03 117.16 131.36 3gly n TYR 312 Ca 0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.01 3gly n TYR 312 Cb 0.37 -3.60 0.00 0.00 -0.31 0.00 0.00 39.34 35.80 3gly n TYR 312 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3gly n ASN 313 N -1.67 0.00 -1.44 7.72 3.02 0.56 -4.76 115.26 118.68 3gly n ASN 313 Ca -0.22 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.33 3gly n ASN 313 Cb 0.66 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.83 3gly n ASN 313 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gly n GLY 314 N -2.00 -3.07 3.22 7.41 0.00 0.96 -4.66 105.19 107.05 3gly n GLY 314 Ca 0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 3gly n GLY 314 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gly s ASN 315 N -0.04 0.68 0.67 1.61 0.01 -1.26 -4.80 114.94 111.80 3gly s ASN 315 Ca -0.01 -1.29 -0.16 0.00 -0.71 0.00 0.00 52.86 50.69 3gly s ASN 315 Cb 0.00 0.25 0.00 0.00 0.41 0.00 0.00 41.25 41.91 3gly s ASN 315 CO 0.04 -0.72 1.16 -2.84 -1.51 0.00 0.00 177.10 173.23 3gly s PRO 316 N -4.04 2.62 0.03 -0.60 0.02 -1.20 -4.43 135.00 127.38 3gly s PRO 316 Ca 0.31 1.62 0.08 0.00 0.02 0.00 0.00 61.00 63.03 3gly s PRO 316 Cb 0.07 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.66 3gly s PRO 316 CO 0.08 -1.43 -0.24 -1.58 -0.33 0.00 0.00 177.00 173.49 3gly s TRP 317 N -2.04 2.14 0.09 6.54 0.52 -0.31 -2.16 118.94 123.72 3gly s TRP 317 Ca 0.72 -0.40 -0.23 0.00 0.02 0.00 0.00 56.10 56.21 3gly s TRP 317 Cb -0.26 -1.30 -0.14 0.00 -1.15 0.00 0.00 33.47 30.62 3gly s TRP 317 CO 0.40 0.08 1.74 0.74 0.02 0.00 0.00 176.95 179.93 3gly h PHE 318 N 5.00 0.03 0.00 -1.98 0.04 -1.75 -2.27 116.94 116.02 3gly h PHE 318 Ca -0.44 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.30 3gly h PHE 318 Cb 1.14 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.28 3gly h PHE 318 CO 0.46 0.02 -0.12 1.37 -0.60 0.00 0.00 178.31 179.44 3gly h LEU 319 N 0.03 0.00 -0.06 1.54 8.10 -1.87 -0.71 115.31 122.35 3gly h LEU 319 Ca 0.01 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.89 3gly h LEU 319 Cb -0.00 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.22 3gly h LEU 319 CO -0.00 0.12 -0.41 0.00 -4.11 0.00 0.00 178.44 174.04 3gly h THR 321 N -0.12 1.21 -0.17 0.00 2.02 -1.16 -2.29 112.91 112.39 3gly h THR 321 Ca -0.03 -0.56 -0.11 0.00 0.77 0.00 0.00 66.41 66.48 3gly h THR 321 Cb 1.08 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3gly h THR 321 CO 0.08 0.23 -0.35 -0.07 0.37 0.00 0.00 175.52 175.78 3gly h LEU 322 N 0.81 0.37 -0.84 2.58 3.38 -1.17 -2.88 115.31 117.57 3gly h LEU 322 Ca 0.21 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3gly h LEU 322 Cb 0.09 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3gly h LEU 322 CO -0.03 0.71 0.12 0.00 0.09 0.00 0.00 178.44 179.32 3gly h ALA 323 N 1.32 1.05 -0.68 1.53 0.00 -1.11 0.10 119.26 121.48 3gly h ALA 323 Ca 0.04 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3gly h ALA 323 Cb 0.77 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3gly h ALA 323 CO 0.06 0.62 0.45 0.00 0.00 0.00 0.00 179.25 180.37 3gly h ALA 324 N 1.19 1.58 0.11 0.00 0.00 -1.20 -2.24 119.26 118.71 3gly h ALA 324 Ca 0.19 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 3gly h ALA 324 Cb 0.38 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.94 3gly h ALA 324 CO 0.01 0.36 -0.84 0.00 0.00 0.00 0.00 179.25 178.78 3gly h ALA 325 N 1.60 -0.02 -0.88 0.00 0.00 -1.40 -3.36 119.26 115.20 3gly h ALA 325 Ca 0.26 -0.76 0.12 0.00 0.00 0.00 0.00 54.91 54.53 3gly h ALA 325 Cb 0.00 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 3gly h ALA 325 CO -0.07 0.43 0.51 1.49 0.00 0.00 0.00 179.25 181.61 3gly h GLU 326 N -0.46 0.77 -0.86 0.00 4.81 -0.78 -1.52 114.58 116.54 3gly h GLU 326 Ca -0.16 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.04 3gly h GLU 326 Cb 1.57 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.74 3gly h GLU 326 CO 0.10 0.51 0.57 0.37 -0.73 0.00 0.00 179.01 179.83 3gly h GLN 327 N 0.80 1.11 -0.27 1.92 4.15 -1.56 -1.46 115.11 119.79 3gly h GLN 327 Ca 0.45 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.76 3gly h GLN 327 Cb 0.50 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 3gly h GLN 327 CO -0.29 0.73 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.26 3gly h LEU 328 N 1.14 0.48 -1.33 -2.39 3.38 -1.45 0.12 115.31 115.27 3gly h LEU 328 Ca 0.32 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3gly h LEU 328 Cb -0.10 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3gly h LEU 328 CO -0.08 0.69 0.48 1.88 0.09 0.00 0.00 178.44 181.49 3gly h TYR 329 N 0.26 0.84 -0.35 1.13 0.05 -1.18 0.15 116.97 117.88 3gly h TYR 329 Ca 0.07 0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.78 3gly h TYR 329 Cb 0.45 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 3gly h TYR 329 CO 0.04 0.49 -0.16 -0.44 -1.05 0.00 0.00 178.16 177.03 3gly h ASP 330 N 0.87 0.74 -0.37 3.88 3.32 -0.74 -2.43 116.42 121.69 3gly h ASP 330 Ca 0.29 -0.40 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 3gly h ASP 330 Cb 0.07 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3gly h ASP 330 CO -0.08 0.98 0.06 0.00 -1.72 0.00 0.00 179.24 178.48 3gly h ALA 331 N 0.78 0.49 -0.70 3.45 0.00 -0.28 -2.27 119.26 120.73 3gly h ALA 331 Ca 0.08 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.84 3gly h ALA 331 Cb 0.70 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3gly h ALA 331 CO 0.05 0.20 0.40 -0.07 0.00 0.00 0.00 179.25 179.83 3gly h LEU 332 N 0.45 0.59 0.01 0.00 3.38 -0.66 0.15 115.31 119.23 3gly h LEU 332 Ca 0.11 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3gly h LEU 332 Cb 0.37 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3gly h LEU 332 CO 0.01 0.38 -0.18 0.22 0.09 0.00 0.00 178.44 178.96 3gly h TYR 333 N 0.72 -0.47 -0.50 1.13 3.20 -1.31 -1.03 116.97 118.72 3gly h TYR 333 Ca 0.31 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.25 3gly h TYR 333 Cb 0.20 0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.63 3gly h TYR 333 CO -0.07 -0.26 0.22 1.96 -1.64 0.00 0.00 178.16 178.37 3gly h GLN 334 N -0.29 0.42 -0.02 1.82 4.20 -0.73 -1.65 115.11 118.86 3gly h GLN 334 Ca 0.05 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 3gly h GLN 334 Cb 0.36 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 3gly h GLN 334 CO -0.16 0.28 0.01 -1.49 -0.67 0.00 0.00 178.83 176.80 3gly h TRP 335 N 0.44 0.03 -0.69 2.96 6.55 -0.38 -2.32 115.95 122.54 3gly h TRP 335 Ca 0.23 -0.00 0.12 0.00 0.95 0.00 0.00 58.89 60.19 3gly h TRP 335 Cb 0.18 -0.01 -0.09 0.00 -0.86 0.00 0.00 29.16 28.39 3gly h TRP 335 CO -0.12 0.12 0.24 0.22 -1.05 0.00 0.00 178.44 177.85 3gly h ASP 336 N -0.07 0.20 -0.48 -3.49 3.58 -1.03 0.11 116.42 115.23 3gly h ASP 336 Ca 0.01 0.10 -0.10 0.00 0.42 0.00 0.00 57.03 57.46 3gly h ASP 336 Cb 0.10 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 3gly h ASP 336 CO -0.00 0.09 -0.07 0.50 -2.88 0.00 0.00 179.24 176.88 3gly h LYS 337 N 0.39 0.94 -0.23 0.28 3.64 -1.13 -3.06 116.57 117.40 3gly h LYS 337 Ca 0.37 -0.31 -0.18 0.00 -1.27 0.00 0.00 60.65 59.25 3gly h LYS 337 Cb 0.53 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3gly h LYS 337 CO -0.38 0.97 -0.59 1.96 -2.27 0.00 0.00 179.45 179.14 3gly h GLN 338 N 0.85 0.74 0.00 1.90 4.20 -0.96 -3.48 115.11 118.36 3gly h GLN 338 Ca 0.14 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.36 3gly h GLN 338 Cb 0.60 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.45 3gly h GLN 338 CO 0.04 1.11 0.00 0.41 -0.67 0.00 0.00 178.83 179.72 3gly n GLY 339 N 0.38 0.56 3.67 3.46 0.00 0.34 -5.03 105.19 108.58 3gly n GLY 339 Ca -0.04 -0.74 -0.06 0.00 0.00 0.00 0.00 46.02 45.17 3gly n GLY 339 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gly s SER 340 N -2.68 -0.29 -0.01 1.61 1.04 -1.17 -1.03 113.70 111.18 3gly s SER 340 Ca 0.00 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.15 3gly s SER 340 Cb 0.00 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.64 3gly s SER 340 CO 0.00 -0.91 -0.02 -0.22 0.98 0.00 0.00 173.24 173.07 3gly s LEU 341 N -2.80 1.71 0.01 2.42 0.20 -0.60 -4.62 118.68 115.01 3gly s LEU 341 Ca 0.09 -0.04 0.06 0.00 0.69 0.00 0.00 54.13 54.93 3gly s LEU 341 Cb -0.02 -0.16 -0.03 0.00 -0.43 0.00 0.00 46.19 45.55 3gly s LEU 341 CO -0.02 -0.01 -0.16 -0.70 -0.29 0.00 0.00 176.35 175.17 3gly s GLU 342 N 0.32 2.24 -0.14 1.98 2.12 -1.26 -0.24 118.70 123.72 3gly s GLU 342 Ca -0.03 -0.88 0.01 0.00 0.36 0.00 0.00 54.97 54.44 3gly s GLU 342 Cb -0.05 -2.27 0.00 0.00 0.26 0.00 0.00 34.13 32.06 3gly s GLU 342 CO -0.01 0.57 -0.18 0.42 -0.54 0.00 0.00 175.26 175.52 3gly s ILE 343 N -0.88 2.45 0.47 -3.70 1.01 -0.02 -4.98 121.20 115.54 3gly s ILE 343 Ca 0.14 -0.85 0.05 0.00 0.00 0.00 0.00 60.65 59.99 3gly s ILE 343 Cb -0.11 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 3gly s ILE 343 CO 0.04 0.53 0.13 0.42 0.00 0.00 0.00 174.94 176.07 3gly s THR 344 N 0.70 1.78 0.33 2.92 -4.23 -1.26 -1.44 115.64 114.44 3gly s THR 344 Ca -0.08 -1.81 0.06 0.00 -1.18 0.00 0.00 61.69 58.67 3gly s THR 344 Cb -0.16 -2.59 0.13 0.00 1.34 0.00 0.00 72.50 71.22 3gly s THR 344 CO 0.01 0.00 1.83 0.44 -0.54 0.00 0.00 174.62 176.37 3gly h ASP 345 N 1.35 0.39 0.00 3.99 3.32 -2.00 0.88 116.42 124.36 3gly h ASP 345 Ca -0.42 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.53 3gly h ASP 345 Cb 1.28 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3gly h ASP 345 CO 0.71 0.56 -0.00 0.58 -1.72 0.00 0.00 179.24 179.37 3gly h VAL 346 N 0.38 1.19 -0.06 -1.35 2.07 -1.95 -3.27 116.25 113.26 3gly h VAL 346 Ca 0.07 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3gly h VAL 346 Cb 0.47 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3gly h VAL 346 CO 0.03 0.15 0.00 -1.54 0.02 0.00 0.00 177.57 176.23 3gly n SER 347 N -4.97 1.38 -0.21 0.57 3.41 -1.04 -4.48 113.62 108.28 3gly n SER 347 Ca -0.08 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 3gly n SER 347 Cb 0.14 -0.03 0.11 0.00 -0.26 0.00 0.00 64.21 64.18 3gly n SER 347 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3gly h LEU 348 N 2.05 0.25 -0.78 1.04 5.85 -0.88 -2.28 115.31 120.56 3gly h LEU 348 Ca 0.00 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3gly h LEU 348 Cb 0.44 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3gly h LEU 348 CO 0.00 0.15 0.52 0.44 -0.34 0.00 0.00 178.44 179.21 3gly h ASP 349 N 0.43 0.89 0.17 1.25 5.19 -1.83 -0.40 116.42 122.12 3gly h ASP 349 Ca 0.31 -0.02 0.01 0.00 -0.62 0.00 0.00 57.03 56.72 3gly h ASP 349 Cb 0.38 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 3gly h ASP 349 CO -0.30 0.65 -0.29 0.15 -3.12 0.00 0.00 179.24 176.32 3gly h PHE 350 N 1.06 -0.78 -0.19 4.55 3.04 -1.73 -2.42 116.94 120.47 3gly h PHE 350 Ca 0.29 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.23 3gly h PHE 350 Cb -0.11 0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.71 3gly h PHE 350 CO -0.02 -0.40 0.03 0.74 -2.02 0.00 0.00 178.31 176.64 3gly h PHE 351 N -0.53 0.33 -0.51 0.41 0.04 -1.11 -3.25 116.94 112.32 3gly h PHE 351 Ca 0.02 -0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.78 3gly h PHE 351 Cb 0.54 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 3gly h PHE 351 CO -0.24 0.46 0.34 -0.22 -0.60 0.00 0.00 178.31 178.05 3gly h LYS 352 N 0.10 0.55 0.00 1.51 3.64 -1.07 0.34 116.57 121.64 3gly h LYS 352 Ca 0.06 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3gly h LYS 352 Cb 0.31 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3gly h LYS 352 CO 0.00 0.37 -0.22 0.00 -2.27 0.00 0.00 179.45 177.34 3gly h ALA 353 N 1.71 1.52 0.02 5.00 0.00 -1.46 -3.13 119.26 122.91 3gly h ALA 353 Ca 0.20 -0.20 -0.37 0.00 0.00 0.00 0.00 54.91 54.55 3gly h ALA 353 Cb 0.10 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3gly h ALA 353 CO -0.05 0.27 -2.30 1.28 0.00 0.00 0.00 179.25 178.44 3gly n LEU 354 N -4.11 1.69 -3.64 0.00 4.77 -0.27 -4.27 117.00 111.17 3gly n LEU 354 Ca -0.02 0.01 -0.29 0.00 -0.03 0.00 0.00 56.01 55.68 3gly n LEU 354 Cb 0.28 -0.34 -0.14 0.00 -2.33 0.00 0.00 43.42 40.90 3gly n LEU 354 CO 0.36 0.72 -0.30 -0.47 -1.33 0.00 0.00 177.39 176.36 3gly s TYR 355 N -2.52 1.37 0.64 -1.77 5.04 0.10 -4.94 117.35 115.28 3gly s TYR 355 Ca -0.22 -1.79 0.34 0.00 -2.44 0.00 0.00 57.07 52.97 3gly s TYR 355 Cb 0.08 -1.47 1.91 0.00 0.35 0.00 0.00 41.96 42.82 3gly s TYR 355 CO 0.72 -0.83 2.13 0.66 -1.34 0.00 0.00 175.55 176.89 3gly h SER 356 N 7.50 0.00 -0.19 4.32 4.64 -1.78 0.15 113.55 128.18 3gly h SER 356 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3gly h SER 356 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3gly h SER 356 CO 0.42 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.99 3gly n GLY 357 N -1.24 1.94 3.77 -0.77 0.00 -1.26 -4.93 105.19 102.70 3gly n GLY 357 Ca -0.01 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 3gly n GLY 357 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gly s ALA 358 N -1.59 3.44 -0.03 4.61 0.00 0.04 -5.02 121.76 123.21 3gly s ALA 358 Ca 0.18 1.16 -0.09 0.00 0.00 0.00 0.00 51.96 53.21 3gly s ALA 358 Cb 0.14 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.83 3gly s ALA 358 CO 0.06 -0.53 0.19 0.00 0.00 0.00 0.00 175.76 175.48 3gly s ALA 359 N -1.17 -0.48 0.62 0.00 0.00 -1.26 -4.91 121.76 114.56 3gly s ALA 359 Ca 0.49 0.19 -0.18 0.00 0.00 0.00 0.00 51.96 52.46 3gly s ALA 359 Cb -0.37 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 3gly s ALA 359 CO 0.49 -0.18 1.24 0.95 0.00 0.00 0.00 175.76 178.26 3gly s THR 360 N -0.88 2.39 0.00 0.00 -4.23 -1.26 -4.77 115.64 106.89 3gly s THR 360 Ca -0.10 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 3gly s THR 360 Cb -0.05 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.71 3gly s THR 360 CO 0.02 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 3gly n GLY 361 N 0.64 0.55 3.62 3.99 0.00 -0.52 -4.94 105.19 108.54 3gly n GLY 361 Ca 0.14 -1.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 3gly n GLY 361 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gly s THR 362 N -1.26 4.34 -0.29 2.61 2.01 -1.26 -0.84 115.64 120.95 3gly s THR 362 Ca 0.00 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 61.81 3gly s THR 362 Cb 0.00 -2.88 0.08 0.00 0.01 0.00 0.00 72.50 69.70 3gly s THR 362 CO 0.00 0.54 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.13 3gly s TYR 363 N -0.21 3.14 0.98 4.92 2.02 0.66 -5.00 117.35 123.87 3gly s TYR 363 Ca 0.06 -2.40 -0.11 0.00 -0.37 0.00 0.00 57.07 54.24 3gly s TYR 363 Cb -0.12 -2.19 0.18 0.00 -0.40 0.00 0.00 41.96 39.42 3gly s TYR 363 CO 0.02 -0.88 1.10 -1.54 -1.57 0.00 0.00 175.55 172.67 3gly s SER 364 N 1.13 2.48 0.03 2.29 1.04 -1.26 -1.55 113.70 117.86 3gly s SER 364 Ca 0.00 1.86 0.19 0.00 0.48 0.00 0.00 55.95 58.47 3gly s SER 364 Cb -0.19 -2.43 0.79 0.00 0.10 0.00 0.00 66.02 64.29 3gly s SER 364 CO -0.08 -3.32 1.59 -1.54 0.98 0.00 0.00 173.24 170.87 3gly n SER 365 N -4.36 0.08 -0.36 7.02 3.41 -0.20 -2.12 113.62 117.08 3gly n SER 365 Ca 0.08 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.32 3gly n SER 365 Cb 0.53 -0.53 0.09 0.00 -0.26 0.00 0.00 64.21 64.04 3gly n SER 365 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gly n SER 366 N -1.58 1.61 -4.82 4.04 3.41 -1.26 -4.75 113.62 110.27 3gly n SER 366 Ca 0.04 -1.26 -0.33 0.00 -0.26 0.00 0.00 58.87 57.07 3gly n SER 366 Cb 0.22 0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 64.58 3gly n SER 366 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3gly s SER 367 N -2.55 6.26 0.19 4.04 1.04 -0.90 -4.97 113.70 116.81 3gly s SER 367 Ca 0.19 1.71 -0.08 0.00 0.48 0.00 0.00 55.95 58.24 3gly s SER 367 Cb 0.18 -2.52 0.10 0.00 0.10 0.00 0.00 66.02 63.88 3gly s SER 367 CO 0.59 -0.84 1.70 0.28 0.98 0.00 0.00 173.24 175.95 3gly h SER 368 N 0.82 1.08 -0.45 7.02 0.02 -1.93 -2.86 113.55 117.25 3gly h SER 368 Ca -0.47 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.21 3gly h SER 368 Cb 1.20 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 3gly h SER 368 CO 0.60 1.06 0.23 0.74 -1.14 0.00 0.00 176.83 178.31 3gly h THR 369 N 1.06 1.18 -0.33 -2.27 2.02 -1.93 -2.31 112.91 110.33 3gly h THR 369 Ca 0.21 -0.49 0.05 0.00 0.77 0.00 0.00 66.41 66.95 3gly h THR 369 Cb 0.43 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 3gly h THR 369 CO 0.01 0.19 0.06 0.22 0.37 0.00 0.00 175.52 176.37 3gly h TYR 370 N 0.59 0.09 -0.94 3.16 5.03 -1.75 -0.92 116.97 122.23 3gly h TYR 370 Ca 0.16 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.48 3gly h TYR 370 Cb 0.10 0.01 -0.05 0.00 1.55 0.00 0.00 36.73 38.34 3gly h TYR 370 CO -0.01 0.01 0.56 0.77 -1.32 0.00 0.00 178.16 178.17 3gly h SER 371 N 0.17 1.13 -0.19 -2.11 0.02 -1.40 0.38 113.55 111.55 3gly h SER 371 Ca 0.16 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 3gly h SER 371 Cb 0.18 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3gly h SER 371 CO -0.21 0.87 0.03 0.28 -1.14 0.00 0.00 176.83 176.66 3gly h SER 372 N 1.30 0.31 0.13 3.07 0.02 -1.01 -2.44 113.55 114.93 3gly h SER 372 Ca 0.34 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3gly h SER 372 Cb -0.05 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3gly h SER 372 CO -0.06 0.50 -0.06 0.40 -1.14 0.00 0.00 176.83 176.47 3gly h ILE 373 N 0.11 1.05 -0.56 3.27 2.04 -0.98 -2.68 117.51 119.77 3gly h ILE 373 Ca 0.06 -0.91 0.03 0.00 1.00 0.00 0.00 64.86 65.04 3gly h ILE 373 Cb 0.32 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 3gly h ILE 373 CO 0.00 0.21 0.37 -0.37 0.00 0.00 0.00 178.15 178.36 3gly h VAL 374 N -0.62 1.07 -0.15 1.67 -1.51 -0.99 0.75 116.25 116.47 3gly h VAL 374 Ca -0.02 -0.22 -0.03 0.00 -1.23 0.00 0.00 66.70 65.20 3gly h VAL 374 Cb 0.48 0.36 -0.00 0.00 -2.13 0.00 0.00 31.29 29.99 3gly h VAL 374 CO 0.03 0.12 -0.03 0.28 -1.23 0.00 0.00 177.57 176.74 3gly h SER 375 N 0.65 0.29 -0.51 4.19 0.02 -1.47 -1.59 113.55 115.14 3gly h SER 375 Ca 0.22 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 3gly h SER 375 Cb 0.08 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3gly h SER 375 CO -0.06 0.58 0.20 0.00 -1.14 0.00 0.00 176.83 176.41 3gly h ALA 376 N 0.72 1.31 -0.29 3.77 0.00 -1.03 -1.39 119.26 122.36 3gly h ALA 376 Ca 0.04 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3gly h ALA 376 Cb 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3gly h ALA 376 CO 0.01 0.51 -0.03 0.28 0.00 0.00 0.00 179.25 180.02 3gly h VAL 377 N 0.80 1.27 -0.48 0.00 2.07 -0.76 -1.84 116.25 117.31 3gly h VAL 377 Ca 0.19 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 3gly h VAL 377 Cb 0.19 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3gly h VAL 377 CO -0.01 0.32 0.24 0.50 0.02 0.00 0.00 177.57 178.63 3gly h LYS 378 N 0.30 0.68 -0.53 1.57 1.63 -1.05 0.10 116.57 119.28 3gly h LYS 378 Ca 0.08 -0.09 0.02 0.00 -0.85 0.00 0.00 60.65 59.80 3gly h LYS 378 Cb 0.48 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.95 3gly h LYS 378 CO 0.02 0.57 0.33 1.15 -3.45 0.00 0.00 179.45 178.07 3gly h THR 379 N 0.63 1.09 -0.01 1.00 2.02 -1.19 -0.47 112.91 115.99 3gly h THR 379 Ca 0.17 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 3gly h THR 379 Cb 0.10 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3gly h THR 379 CO -0.02 0.12 0.01 0.15 0.37 0.00 0.00 175.52 176.14 3gly h PHE 380 N 0.66 0.02 -0.11 3.16 3.57 -1.14 -1.58 116.94 121.52 3gly h PHE 380 Ca 0.20 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.73 3gly h PHE 380 Cb -0.02 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 3gly h PHE 380 CO -0.05 0.11 -0.07 0.00 -2.23 0.00 0.00 178.31 176.07 3gly h ALA 381 N 0.90 0.02 -0.53 2.41 0.00 -0.68 -2.40 119.26 118.99 3gly h ALA 381 Ca 0.00 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3gly h ALA 381 Cb 0.10 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3gly h ALA 381 CO -0.00 -0.53 0.35 -0.44 0.00 0.00 0.00 179.25 178.63 3gly h ASP 382 N -0.08 0.43 -0.80 0.00 5.19 -0.98 -1.92 116.42 118.26 3gly h ASP 382 Ca 0.07 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 3gly h ASP 382 Cb 0.18 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.56 3gly h ASP 382 CO -0.16 0.29 0.45 1.23 -3.12 0.00 0.00 179.24 177.92 3gly h GLY 383 N 0.49 1.20 1.01 2.75 0.00 -0.77 -1.02 103.07 106.74 3gly h GLY 383 Ca 0.23 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 47.03 3gly h GLY 383 CO -0.06 0.51 0.65 0.74 0.00 0.00 0.00 176.54 178.38 3gly h PHE 384 N 1.13 1.23 -0.16 5.60 0.04 -1.17 -2.36 116.94 121.26 3gly h PHE 384 Ca 0.29 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.94 3gly h PHE 384 Cb 0.02 -0.42 -0.01 0.00 2.20 0.00 0.00 35.95 37.74 3gly h PHE 384 CO 0.01 0.78 -0.52 0.28 -0.60 0.00 0.00 178.31 178.26 3gly h VAL 385 N 1.33 1.33 -0.49 -0.55 2.07 -1.30 -2.81 116.25 115.83 3gly h VAL 385 Ca 0.36 -1.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.06 3gly h VAL 385 Cb -0.15 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3gly h VAL 385 CO -0.08 0.54 0.09 0.28 0.02 0.00 0.00 177.57 178.43 3gly h SER 386 N 0.34 0.71 -0.74 0.57 0.02 -0.85 -1.26 113.55 112.35 3gly h SER 386 Ca 0.01 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3gly h SER 386 Cb 1.03 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.35 3gly h SER 386 CO 0.09 0.72 0.46 0.40 -1.14 0.00 0.00 176.83 177.36 3gly h ILE 387 N 0.73 1.20 -0.03 3.27 2.04 -1.17 -0.42 117.51 123.14 3gly h ILE 387 Ca 0.16 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 3gly h ILE 387 Cb 0.31 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3gly h ILE 387 CO 0.00 0.20 0.01 0.58 0.00 0.00 0.00 178.15 178.94 3gly h VAL 388 N 1.00 1.20 -0.75 1.67 2.07 -1.40 -2.64 116.25 117.40 3gly h VAL 388 Ca 0.27 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 67.26 3gly h VAL 388 Cb -0.07 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 3gly h VAL 388 CO -0.05 0.16 0.43 -0.08 0.02 0.00 0.00 177.57 178.05 3gly h GLU 389 N -0.20 0.75 -0.86 1.57 4.81 -0.99 -0.02 114.58 119.64 3gly h GLU 389 Ca 0.01 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3gly h GLU 389 Cb 0.25 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 3gly h GLU 389 CO 0.00 0.50 0.56 1.15 -0.73 0.00 0.00 179.01 180.49 3gly h THR 390 N 0.77 1.07 -0.01 0.32 2.02 -0.95 -3.17 112.91 112.96 3gly h THR 390 Ca 0.34 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3gly h THR 390 Cb 0.23 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 3gly h THR 390 CO -0.20 0.18 -0.22 1.41 0.37 0.00 0.00 175.52 177.07 3gly n HIS 391 N -4.48 0.00 -1.05 3.16 8.25 -0.72 -5.00 115.22 115.38 3gly n HIS 391 Ca 0.13 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.28 3gly n HIS 391 Cb 0.19 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.43 3gly n HIS 391 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gly s ALA 392 N -1.64 1.78 0.86 -1.41 0.00 -0.10 -4.67 121.76 116.57 3gly s ALA 392 Ca 0.14 0.28 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 3gly s ALA 392 Cb 0.12 -3.31 0.11 0.00 0.00 0.00 0.00 23.12 20.04 3gly s ALA 392 CO 0.32 -2.26 1.10 0.00 0.00 0.00 0.00 175.76 174.92 3gly s ALA 393 N -2.82 1.86 0.42 0.00 0.00 -0.50 -4.90 121.76 115.83 3gly s ALA 393 Ca 0.63 -0.19 0.11 0.00 0.00 0.00 0.00 51.96 52.52 3gly s ALA 393 Cb -0.19 -3.13 0.91 0.00 0.00 0.00 0.00 23.12 20.70 3gly s ALA 393 CO 0.57 -2.09 1.99 0.66 0.00 0.00 0.00 175.76 176.89 3gly h SER 394 N -1.35 0.18 -0.20 0.00 4.64 -1.95 0.50 113.55 115.37 3gly h SER 394 Ca -0.49 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3gly h SER 394 Cb 1.28 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3gly h SER 394 CO 0.58 0.28 0.00 -0.46 -0.87 0.00 0.00 176.83 176.35 3gly n ASN 395 N -4.35 1.79 0.00 4.97 6.94 -1.26 -4.86 115.26 118.49 3gly n ASN 395 Ca -0.01 -1.76 0.00 0.00 -0.02 0.00 0.00 54.58 52.79 3gly n ASN 395 Cb 0.21 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 3gly n ASN 395 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gly n GLY 396 N 1.14 0.69 3.73 4.83 0.00 0.17 -5.03 105.19 110.71 3gly n GLY 396 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3gly n GLY 396 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gly s SER 397 N -2.68 6.76 -0.19 1.61 0.01 -1.25 -4.68 113.70 113.28 3gly s SER 397 Ca 0.00 2.47 0.01 0.00 1.31 0.00 0.00 55.95 59.74 3gly s SER 397 Cb 0.00 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.66 3gly s SER 397 CO 0.00 -0.67 -0.17 -0.76 0.41 0.00 0.00 173.24 172.05 3gly s LEU 398 N 0.56 2.30 0.00 2.44 1.43 -1.26 -1.40 118.68 122.74 3gly s LEU 398 Ca 0.63 -0.77 -0.17 0.00 -1.03 0.00 0.00 54.13 52.79 3gly s LEU 398 Cb -0.39 -1.43 0.23 0.00 0.03 0.00 0.00 46.19 44.63 3gly s LEU 398 CO 0.35 -0.05 1.29 -0.24 0.23 0.00 0.00 176.35 177.93 3gly n SER 399 N 4.62 -0.19 -0.07 2.29 2.88 -1.26 -1.60 113.62 120.29 3gly n SER 399 Ca -0.19 -1.44 -0.13 0.00 -1.33 0.00 0.00 58.87 55.79 3gly n SER 399 Cb 0.48 -1.01 -0.12 0.00 -0.75 0.00 0.00 64.21 62.82 3gly n SER 399 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3gly h GLU 400 N 0.00 -0.00 -5.64 -1.46 4.81 -1.30 -3.42 114.58 107.56 3gly h GLU 400 Ca -0.43 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.24 3gly h GLU 400 Cb 1.19 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.43 3gly h GLU 400 CO 0.30 0.88 -0.65 -0.65 -0.73 0.00 0.00 179.01 178.16 3gly s GLN 401 N -2.20 1.74 -0.05 1.92 -0.21 -1.16 -2.49 119.66 117.21 3gly s GLN 401 Ca -0.17 -1.92 -0.03 0.00 0.02 0.00 0.00 55.36 53.26 3gly s GLN 401 Cb -0.03 -1.40 0.02 0.00 1.00 0.00 0.00 33.01 32.61 3gly s GLN 401 CO 0.62 0.02 0.11 -0.59 -2.12 0.00 0.00 175.29 173.33 3gly s PHE 402 N -2.85 -0.11 0.20 0.91 -0.71 -0.92 -1.97 117.98 112.52 3gly s PHE 402 Ca 0.33 0.34 -0.33 0.00 -1.04 0.00 0.00 56.93 56.23 3gly s PHE 402 Cb 0.05 -0.05 -0.14 0.00 -1.21 0.00 0.00 43.02 41.68 3gly s PHE 402 CO 0.15 -0.10 1.49 -3.47 -1.34 0.00 0.00 175.22 171.94 3gly n ASP 403 N 3.67 2.88 0.24 1.98 -0.08 0.84 -3.28 116.55 122.81 3gly n ASP 403 Ca -0.20 1.11 0.16 0.00 -1.51 0.00 0.00 54.79 54.35 3gly n ASP 403 Cb 0.55 -1.42 0.82 0.00 2.34 0.00 0.00 41.12 43.41 3gly n ASP 403 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3gly h LYS 404 N 5.05 0.00 0.00 -0.67 2.10 -1.91 0.15 116.57 121.29 3gly h LYS 404 Ca -0.45 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.06 3gly h LYS 404 Cb 1.27 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.58 3gly h LYS 404 CO 0.82 0.00 -1.48 0.43 -2.00 0.00 0.00 179.45 177.23 3gly n SER 405 N -2.68 1.45 -0.27 7.07 7.64 -1.26 -1.77 113.62 123.79 3gly n SER 405 Ca -0.01 0.06 0.05 0.00 1.01 0.00 0.00 58.87 59.97 3gly n SER 405 Cb 0.12 -0.22 0.01 0.00 -1.01 0.00 0.00 64.21 63.12 3gly n SER 405 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3gly n ASP 406 N -3.19 1.38 0.00 6.43 5.75 -1.24 -4.31 116.55 121.37 3gly n ASP 406 Ca -0.16 -1.19 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 3gly n ASP 406 Cb 0.63 0.30 0.00 0.00 -1.03 0.00 0.00 41.12 41.02 3gly n ASP 406 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gly n GLY 407 N 0.74 0.34 3.77 6.12 0.00 0.52 -4.89 105.19 111.80 3gly n GLY 407 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3gly n GLY 407 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gly s ASP 408 N -2.13 5.62 0.36 1.61 1.01 -1.26 -4.21 116.67 117.66 3gly s ASP 408 Ca 0.00 2.12 -0.27 0.00 0.71 0.00 0.00 52.55 55.11 3gly s ASP 408 Cb 0.00 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.27 3gly s ASP 408 CO 0.00 -1.28 1.21 -1.61 0.21 0.00 0.00 175.17 173.69 3gly s GLU 409 N -3.47 4.23 0.27 8.23 2.02 -1.26 -0.11 118.70 128.61 3gly s GLU 409 Ca 0.71 1.97 -0.09 0.00 0.02 0.00 0.00 54.97 57.58 3gly s GLU 409 Cb -0.23 -2.88 -0.00 0.00 0.10 0.00 0.00 34.13 31.12 3gly s GLU 409 CO 0.30 -0.21 0.45 -0.48 0.02 0.00 0.00 175.26 175.34 3gly s LEU 410 N -2.11 0.58 0.00 1.80 2.34 -0.83 -4.86 118.68 115.60 3gly s LEU 410 Ca 0.53 -1.13 0.00 0.00 0.06 0.00 0.00 54.13 53.58 3gly s LEU 410 Cb -0.34 1.57 0.00 0.00 -0.56 0.00 0.00 46.19 46.86 3gly s LEU 410 CO 0.44 -1.17 0.00 -0.24 -1.06 0.00 0.00 176.35 174.32 3gly n SER 411 N -0.67 -2.12 -4.68 1.48 2.88 -1.26 -3.01 113.62 106.24 3gly n SER 411 Ca -0.01 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.08 3gly n SER 411 Cb 0.62 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.04 3gly n SER 411 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gly n ALA 412 N 1.92 1.59 -1.80 -1.46 0.00 -1.26 -4.72 120.51 114.77 3gly n ALA 412 Ca 0.00 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.51 3gly n ALA 412 Cb 0.00 -2.44 0.01 0.00 0.00 0.00 0.00 19.45 17.01 3gly n ALA 412 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3gly s ARG 413 N 1.89 3.55 -1.05 0.00 1.70 -1.26 -1.31 118.95 122.47 3gly s ARG 413 Ca 0.82 0.85 -0.30 0.00 -0.47 0.00 0.00 55.73 56.62 3gly s ARG 413 Cb -0.63 -2.07 0.04 0.00 -0.57 0.00 0.00 34.95 31.72 3gly s ARG 413 CO 0.40 -0.61 0.59 -0.25 -1.08 0.00 0.00 175.30 174.35 3gly n ASP 414 N -2.53 -3.54 -4.67 -2.89 8.00 -1.17 -4.36 116.55 105.39 3gly n ASP 414 Ca 0.07 -1.13 -0.43 0.00 0.71 0.00 0.00 54.79 54.00 3gly n ASP 414 Cb 0.54 -1.36 -0.02 0.00 -0.02 0.00 0.00 41.12 40.25 3gly n ASP 414 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3gly s LEU 415 N -7.13 4.20 0.23 0.64 2.96 -0.63 -4.49 118.68 114.47 3gly s LEU 415 Ca 0.42 1.65 -0.06 0.00 -0.22 0.00 0.00 54.13 55.93 3gly s LEU 415 Cb -0.24 -3.55 0.40 0.00 0.50 0.00 0.00 46.19 43.30 3gly s LEU 415 CO 0.84 -0.65 1.74 0.74 -1.32 0.00 0.00 176.35 177.70 3gly h THR 416 N 5.29 0.71 -0.76 3.68 2.02 -1.37 -0.54 112.91 121.93 3gly h THR 416 Ca -0.28 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 3gly h THR 416 Cb 1.12 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 3gly h THR 416 CO 0.93 0.08 0.35 -0.25 0.37 0.00 0.00 175.52 177.00 3gly h TRP 417 N 0.45 1.10 -0.48 3.16 7.01 -1.91 -1.21 115.95 124.07 3gly h TRP 417 Ca 0.38 -0.06 0.05 0.00 2.11 0.00 0.00 58.89 61.37 3gly h TRP 417 Cb 0.53 -0.34 -0.05 0.00 -2.10 0.00 0.00 29.16 27.20 3gly h TRP 417 CO -0.16 0.81 0.21 0.77 -2.79 0.00 0.00 178.44 177.28 3gly h SER 418 N 1.09 0.28 -0.35 2.65 0.02 -1.43 -1.37 113.55 114.45 3gly h SER 418 Ca 0.26 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 61.16 3gly h SER 418 Cb 0.13 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3gly h SER 418 CO -0.03 0.20 -0.12 1.88 -1.14 0.00 0.00 176.83 177.61 3gly h TYR 419 N 0.42 0.79 -0.90 3.45 0.05 -0.90 -2.70 116.97 117.19 3gly h TYR 419 Ca 0.22 -0.18 0.01 0.00 0.05 0.00 0.00 58.73 58.83 3gly h TYR 419 Cb 0.17 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 37.67 3gly h TYR 419 CO -0.12 0.88 0.59 0.00 -1.05 0.00 0.00 178.16 178.46 3gly h ALA 420 N 0.80 1.37 -0.19 3.88 0.00 -0.97 -1.83 119.26 122.33 3gly h ALA 420 Ca 0.08 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3gly h ALA 420 Cb 0.64 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3gly h ALA 420 CO 0.04 0.57 -0.06 0.00 0.00 0.00 0.00 179.25 179.81 3gly h ALA 421 N 1.45 1.56 -0.09 0.00 0.00 -1.18 -2.26 119.26 118.73 3gly h ALA 421 Ca 0.33 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3gly h ALA 421 Cb -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3gly h ALA 421 CO -0.08 0.32 -0.16 1.25 0.00 0.00 0.00 179.25 180.58 3gly h LEU 422 N 0.27 0.30 -0.65 0.00 7.12 -1.07 -2.68 115.31 118.60 3gly h LEU 422 Ca 0.06 -0.55 0.02 0.00 0.13 0.00 0.00 57.88 57.54 3gly h LEU 422 Cb 0.28 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 40.29 3gly h LEU 422 CO 0.01 0.79 0.42 -0.07 -0.13 0.00 0.00 178.44 179.46 3gly h LEU 423 N -0.18 0.71 -0.40 2.25 3.38 -1.13 -1.20 115.31 118.73 3gly h LEU 423 Ca 0.01 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3gly h LEU 423 Cb 0.73 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 3gly h LEU 423 CO 0.04 0.51 -0.44 0.71 0.09 0.00 0.00 178.44 179.34 3gly h THR 424 N 0.84 1.28 -0.72 0.22 1.35 -1.49 -1.42 112.91 112.97 3gly h THR 424 Ca 0.25 -1.62 -0.05 0.00 -0.55 0.00 0.00 66.41 64.44 3gly h THR 424 Cb -0.05 1.49 -0.03 0.00 -1.73 0.00 0.00 68.15 67.82 3gly h THR 424 CO -0.07 0.54 0.27 0.00 -0.25 0.00 0.00 175.52 176.00 3gly h ALA 425 N 0.79 0.94 -0.20 6.62 0.00 -1.26 -0.52 119.26 125.63 3gly h ALA 425 Ca 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3gly h ALA 425 Cb 1.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3gly h ALA 425 CO 0.10 0.59 0.03 -0.97 0.00 0.00 0.00 179.25 178.99 3gly h ASN 426 N 1.05 0.33 -0.22 0.00 -0.73 -1.21 0.10 115.58 114.91 3gly h ASN 426 Ca 0.24 -0.27 0.05 0.00 1.87 0.00 0.00 56.30 58.18 3gly h ASN 426 Cb 0.25 -0.09 -0.05 0.00 0.27 0.00 0.00 38.32 38.70 3gly h ASN 426 CO -0.02 0.52 -0.08 0.78 -0.37 0.00 0.00 177.43 178.26 3gly h ASN 427 N 0.13 -0.29 -0.56 1.15 -0.26 -0.96 -1.78 115.58 113.01 3gly h ASN 427 Ca 0.06 0.08 -0.04 0.00 -0.56 0.00 0.00 56.30 55.84 3gly h ASN 427 Cb 0.34 0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.74 3gly h ASN 427 CO 0.01 -0.11 0.23 0.03 -1.06 0.00 0.00 177.43 176.53 3gly h ARG 428 N -0.05 0.88 -0.50 0.81 2.47 -0.98 0.21 114.38 117.23 3gly h ARG 428 Ca 0.11 -0.14 0.01 0.00 -1.26 0.00 0.00 59.98 58.70 3gly h ARG 428 Cb 0.22 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 3gly h ARG 428 CO -0.25 0.73 0.33 -0.09 0.56 0.00 0.00 179.97 181.25 3gly h ARG 429 N 0.87 0.65 -0.23 0.04 2.43 -0.36 -2.26 114.38 115.51 3gly h ARG 429 Ca 0.20 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3gly h ARG 429 Cb 0.19 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3gly h ARG 429 CO -0.02 0.43 0.00 0.09 -1.51 0.00 0.00 179.97 178.96 3gly n ASN 430 N -4.46 1.93 -0.74 -3.80 3.02 -0.73 -4.94 115.26 105.54 3gly n ASN 430 Ca 0.04 -1.79 -0.07 0.00 -0.03 0.00 0.00 54.58 52.73 3gly n ASN 430 Cb 0.05 -0.15 -0.01 0.00 -0.61 0.00 0.00 39.78 39.06 3gly n ASN 430 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3gly n SER 431 N 0.50 -3.14 -4.43 6.41 7.64 -0.85 -4.99 113.62 114.76 3gly n SER 431 Ca 0.16 0.06 -0.42 0.00 1.01 0.00 0.00 58.87 59.68 3gly n SER 431 Cb 0.36 -2.05 -0.11 0.00 -1.01 0.00 0.00 64.21 61.41 3gly n SER 431 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3gly s VAL 432 N -2.33 4.98 0.26 0.44 1.01 0.68 -5.00 120.40 120.44 3gly s VAL 432 Ca 0.00 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 61.37 3gly s VAL 432 Cb 0.00 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3gly s VAL 432 CO 0.00 -0.25 -0.02 0.68 0.00 0.00 0.00 175.10 175.51 3gly s VAL 433 N 1.63 3.40 0.70 2.92 -7.23 -1.26 -3.38 120.40 117.18 3gly s VAL 433 Ca 0.04 -1.92 -0.11 0.00 -1.81 0.00 0.00 61.98 58.18 3gly s VAL 433 Cb -0.19 -2.81 0.01 0.00 0.56 0.00 0.00 36.38 33.95 3gly s VAL 433 CO 0.09 -0.36 1.09 -2.16 -0.31 0.00 0.00 175.10 173.44 3gly s PRO 434 N -3.62 2.92 0.62 4.82 0.04 -1.26 -5.03 135.00 133.49 3gly s PRO 434 Ca 0.31 0.52 -0.18 0.00 0.04 0.00 0.00 61.00 61.69 3gly s PRO 434 Cb -0.06 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 3gly s PRO 434 CO 0.19 -1.01 1.22 -2.14 0.04 0.00 0.00 177.00 175.31 3gly s PRO 435 N -5.32 2.81 0.72 0.56 0.02 -1.26 -4.58 135.00 127.96 3gly s PRO 435 Ca 0.58 1.85 -0.13 0.00 0.02 0.00 0.00 61.00 63.32 3gly s PRO 435 Cb -0.11 -1.91 0.03 0.00 0.02 0.00 0.00 34.50 32.54 3gly s PRO 435 CO 0.52 -1.34 1.12 0.45 -0.33 0.00 0.00 177.00 177.42 3gly s SER 436 N -1.63 4.64 0.00 2.53 0.15 -1.26 -4.85 113.70 113.28 3gly s SER 436 Ca 0.78 1.99 0.03 0.00 0.70 0.00 0.00 55.95 59.44 3gly s SER 436 Cb -0.31 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.50 3gly s SER 436 CO 0.36 -1.95 0.81 -2.67 1.20 0.00 0.00 173.24 170.99 3gly n TRP 437 N -2.97 0.05 -1.06 3.44 4.27 -1.26 -4.99 117.44 114.92 3gly n TRP 437 Ca 0.10 -0.24 0.00 0.00 -3.89 0.00 0.00 57.50 53.48 3gly n TRP 437 Cb 0.52 -0.02 0.00 0.00 -1.36 0.00 0.00 31.31 30.45 3gly n TRP 437 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 3gly n GLY 438 N -0.04 1.00 0.37 -1.67 0.00 -1.26 -4.16 105.19 99.43 3gly n GLY 438 Ca 0.02 -0.53 0.18 0.00 0.00 0.00 0.00 46.02 45.69 3gly n GLY 438 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gly h GLU 439 N 0.00 0.13 0.00 1.61 4.22 -1.94 -2.21 114.58 116.40 3gly h GLU 439 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 3gly h GLU 439 Cb 0.49 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3gly h GLU 439 CO 0.00 0.09 0.00 1.79 -2.18 0.00 0.00 179.01 178.71 3gly h THR 440 N 0.14 0.00 -0.23 0.32 1.35 -1.93 -1.27 112.91 111.28 3gly h THR 440 Ca 0.27 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 3gly h THR 440 Cb 0.89 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3gly h THR 440 CO -0.04 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.03 3gly n SER 441 N -2.76 3.07 -2.80 5.36 7.64 -0.83 -4.67 113.62 118.63 3gly n SER 441 Ca -0.00 -2.47 -0.02 0.00 1.01 0.00 0.00 58.87 57.39 3gly n SER 441 Cb 0.18 -0.33 0.05 0.00 -1.01 0.00 0.00 64.21 63.10 3gly n SER 441 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gly n ALA 442 N -0.18 2.76 -0.05 -0.43 0.00 -0.49 -4.84 120.51 117.28 3gly n ALA 442 Ca 0.14 -2.80 0.00 0.00 0.00 0.00 0.00 53.44 50.78 3gly n ALA 442 Cb 0.59 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.14 3gly n ALA 442 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gly n SER 443 N -0.50 1.13 -4.68 0.00 3.41 -1.16 -4.94 113.62 106.87 3gly n SER 443 Ca 0.07 -1.18 -0.42 0.00 -0.26 0.00 0.00 58.87 57.08 3gly n SER 443 Cb 0.81 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.73 3gly n SER 443 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3gly s SER 444 N -0.18 7.14 -0.02 4.04 0.15 -1.26 -4.79 113.70 118.78 3gly s SER 444 Ca 0.00 1.40 -0.18 0.00 0.70 0.00 0.00 55.95 57.87 3gly s SER 444 Cb 0.00 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.74 3gly s SER 444 CO 0.00 -0.43 0.51 -0.69 1.20 0.00 0.00 173.24 173.84 3gly s VAL 445 N 2.04 4.98 0.69 4.45 1.01 -1.26 -4.93 120.40 127.38 3gly s VAL 445 Ca 0.45 1.06 -0.14 0.00 0.00 0.00 0.00 61.98 63.35 3gly s VAL 445 Cb -0.18 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.38 3gly s VAL 445 CO 0.16 0.46 1.12 -2.84 0.00 0.00 0.00 175.10 174.00 3gly s PRO 446 N -0.38 2.57 0.34 2.72 0.02 -1.26 -4.95 135.00 134.05 3gly s PRO 446 Ca 0.27 1.43 0.08 0.00 0.02 0.00 0.00 61.00 62.80 3gly s PRO 446 Cb -0.17 -1.92 0.60 0.00 0.02 0.00 0.00 34.50 33.03 3gly s PRO 446 CO 0.15 -1.44 1.80 0.78 -0.33 0.00 0.00 177.00 177.96 3gly h GLY 447 N -0.22 0.28 -6.41 0.52 0.00 -1.99 -3.42 103.07 91.83 3gly h GLY 447 Ca -0.46 -0.22 -0.46 0.00 0.00 0.00 0.00 47.33 46.19 3gly h GLY 447 CO 0.53 0.20 -0.79 -1.59 0.00 0.00 0.00 176.54 174.89 3gly s THR 448 N -4.45 0.72 0.14 4.70 2.01 -1.26 -5.14 115.64 112.36 3gly s THR 448 Ca -0.05 -0.17 -0.24 0.00 0.31 0.00 0.00 61.69 61.54 3gly s THR 448 Cb 0.14 -0.74 -0.08 0.00 0.01 0.00 0.00 72.50 71.83 3gly s THR 448 CO 0.75 0.29 0.73 0.00 -0.69 0.00 0.00 174.62 175.71 3gly s ALA 450 N -1.04 2.18 -0.63 0.00 0.00 -1.26 -5.09 121.76 115.92 3gly s ALA 450 Ca 0.35 -1.23 -0.21 0.00 0.00 0.00 0.00 51.96 50.86 3gly s ALA 450 Cb -0.22 -0.46 0.08 0.00 0.00 0.00 0.00 23.12 22.52 3gly s ALA 450 CO 0.25 0.51 0.87 0.00 0.00 0.00 0.00 175.76 177.39 3gly s ALA 451 N -0.80 3.21 0.06 0.00 0.00 -1.26 -4.96 121.76 118.02 3gly s ALA 451 Ca 0.11 -1.91 -0.00 0.00 0.00 0.00 0.00 51.96 50.16 3gly s ALA 451 Cb -0.10 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.29 3gly s ALA 451 CO 0.02 -2.60 0.07 -2.37 0.00 0.00 0.00 175.76 170.88 3gly n THR 452 N 5.82 0.00 -3.81 0.00 5.66 -1.26 -5.18 114.28 115.51 3gly n THR 452 Ca -0.05 -0.29 -0.05 0.00 -3.05 0.00 0.00 64.05 60.61 3gly n THR 452 Cb 0.45 0.18 -0.00 0.00 -1.55 0.00 0.00 70.33 69.40 3gly n THR 452 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3gly s SER 453 N -1.35 -0.12 -0.11 1.09 1.04 -1.26 -4.55 113.70 108.44 3gly s SER 453 Ca 0.05 -0.62 -0.06 0.00 0.48 0.00 0.00 55.95 55.80 3gly s SER 453 Cb -0.00 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.75 3gly s SER 453 CO 0.03 -1.12 0.25 0.00 0.98 0.00 0.00 173.24 173.39 3gly s ALA 454 N -2.97 -0.59 -0.07 5.32 0.00 -0.92 -5.00 121.76 117.52 3gly s ALA 454 Ca 0.15 0.99 -0.20 0.00 0.00 0.00 0.00 51.96 52.89 3gly s ALA 454 Cb -0.03 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 3gly s ALA 454 CO 0.05 -0.19 0.58 0.45 0.00 0.00 0.00 175.76 176.65 3gly s SER 455 N 1.11 6.86 0.00 0.00 0.15 -1.26 -2.52 113.70 118.03 3gly s SER 455 Ca -0.08 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.59 3gly s SER 455 Cb -0.09 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 3gly s SER 455 CO -0.07 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 174.97 3gly n GLY 456 N 2.97 0.36 3.44 9.45 0.00 -1.26 -4.90 105.19 115.25 3gly n GLY 456 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 3gly n GLY 456 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gly s THR 457 N 2.55 0.01 -0.04 2.61 -1.32 -1.26 -5.09 115.64 113.09 3gly s THR 457 Ca 0.00 -0.10 0.05 0.00 -1.21 0.00 0.00 61.69 60.42 3gly s THR 457 Cb 0.00 -0.84 -0.01 0.00 -1.51 0.00 0.00 72.50 70.14 3gly s THR 457 CO 0.00 -0.06 -0.19 -0.31 -2.21 0.00 0.00 174.62 171.86 3gly s TYR 458 N -0.63 1.84 -0.28 9.09 2.02 -1.26 -4.40 117.35 123.74 3gly s TYR 458 Ca -0.07 -0.52 -0.20 0.00 -0.37 0.00 0.00 57.07 55.91 3gly s TYR 458 Cb -0.03 -1.23 0.08 0.00 -0.40 0.00 0.00 41.96 40.39 3gly s TYR 458 CO 0.05 -0.16 0.74 0.45 -1.57 0.00 0.00 175.55 175.06 3gly s SER 459 N -0.05 -0.82 0.11 2.29 0.15 -1.26 -5.03 113.70 109.09 3gly s SER 459 Ca -0.03 1.42 -0.30 0.00 0.70 0.00 0.00 55.95 57.74 3gly s SER 459 Cb -0.11 1.38 -0.07 0.00 -1.71 0.00 0.00 66.02 65.51 3gly s SER 459 CO 0.02 -0.23 1.22 -0.55 1.20 0.00 0.00 173.24 174.90 3gly s SER 460 N 1.04 7.06 -0.10 5.45 0.15 -1.26 -4.90 113.70 121.13 3gly s SER 460 Ca -0.05 2.12 -0.04 0.00 0.70 0.00 0.00 55.95 58.68 3gly s SER 460 Cb -0.05 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 3gly s SER 460 CO -0.11 -0.46 0.04 -0.69 1.20 0.00 0.00 173.24 173.22 3gly s VAL 461 N 0.71 4.61 -0.14 4.45 1.01 -1.26 -5.08 120.40 124.69 3gly s VAL 461 Ca 0.57 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.44 3gly s VAL 461 Cb -0.31 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.11 3gly s VAL 461 CO 0.32 0.59 -0.20 -0.89 0.00 0.00 0.00 175.10 174.92 3gly s THR 462 N -0.77 1.90 -0.64 3.92 2.01 -1.26 -4.67 115.64 116.13 3gly s THR 462 Ca 0.12 -0.88 -0.12 0.00 0.31 0.00 0.00 61.69 61.12 3gly s THR 462 Cb -0.12 -1.71 0.17 0.00 0.01 0.00 0.00 72.50 70.85 3gly s THR 462 CO 0.02 0.52 0.56 -0.69 -0.69 0.00 0.00 174.62 174.35 3gly s VAL 463 N 0.98 4.99 -0.01 3.82 1.01 -1.26 -4.93 120.40 125.01 3gly s VAL 463 Ca -0.04 -2.09 -0.25 0.00 0.00 0.00 0.00 61.98 59.60 3gly s VAL 463 Cb -0.15 -4.17 -0.19 0.00 0.00 0.00 0.00 36.38 31.87 3gly s VAL 463 CO -0.04 -0.91 1.28 0.74 0.00 0.00 0.00 175.10 176.16 3gly h THR 464 N 5.45 1.25 -2.58 3.92 2.02 -2.01 -3.47 112.91 117.49 3gly h THR 464 Ca -0.10 -0.99 -0.05 0.00 0.77 0.00 0.00 66.41 66.05 3gly h THR 464 Cb 1.06 1.91 -0.16 0.00 -1.74 0.00 0.00 68.15 69.21 3gly h THR 464 CO 0.86 0.25 0.15 -0.55 0.37 0.00 0.00 175.52 176.59 3gly s SER 465 N -5.57 -0.56 -0.17 4.18 0.15 -1.26 -5.15 113.70 105.32 3gly s SER 465 Ca -0.15 0.31 -0.07 0.00 0.70 0.00 0.00 55.95 56.73 3gly s SER 465 Cb 0.02 0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 64.83 3gly s SER 465 CO 0.65 -0.76 0.08 0.26 1.20 0.00 0.00 173.24 174.67 3gly s TRP 466 N -2.43 3.34 0.76 3.44 0.52 -1.26 -5.09 118.94 118.22 3gly s TRP 466 Ca -0.05 0.22 -0.14 0.00 0.02 0.00 0.00 56.10 56.15 3gly s TRP 466 Cb -0.01 -2.04 0.06 0.00 -1.15 0.00 0.00 33.47 30.33 3gly s TRP 466 CO -0.01 0.32 1.18 -1.25 0.02 0.00 0.00 176.95 177.21 3gly s PRO 467 N -0.00 1.98 -1.09 4.98 0.04 -1.26 -4.85 135.00 134.80 3gly s PRO 467 Ca 0.07 1.66 -0.22 0.00 0.04 0.00 0.00 61.00 62.55 3gly s PRO 467 Cb -0.12 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3gly s PRO 467 CO 0.00 -1.94 1.74 -1.12 0.04 0.00 0.00 177.00 175.72 3gly s SER 468 N -2.27 5.95 0.14 6.66 0.01 -1.26 -4.93 113.70 118.00 3gly s SER 468 Ca 0.72 -1.53 -0.30 0.00 1.31 0.00 0.00 55.95 56.15 3gly s SER 468 Cb -0.27 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.32 3gly s SER 468 CO 0.48 -2.05 0.96 -0.63 0.41 0.00 0.00 173.24 172.42 3gly s ILE 469 N 7.27 4.37 -0.04 1.44 1.01 -1.26 -5.05 121.20 128.93 3gly s ILE 469 Ca 0.58 2.05 0.06 0.00 0.00 0.00 0.00 60.65 63.35 3gly s ILE 469 Cb -0.01 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 3gly s ILE 469 CO 0.01 0.36 -0.23 -0.69 0.00 0.00 0.00 174.94 174.39 3gly s VAL 470 N -0.29 1.85 0.00 2.92 1.01 -1.26 -5.12 120.40 119.51 3gly s VAL 470 Ca 0.46 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3gly s VAL 470 Cb -0.24 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.58 3gly s VAL 470 CO 0.31 0.52 0.15 0.00 0.00 0.00 0.00 175.10 176.08