#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4sga s ALA 17 N 0.00 4.18 0.50 1.51 0.00 -1.26 -3.25 121.76 123.44 4sga s ALA 17 Ca 0.00 -1.29 -0.23 0.00 0.00 0.00 0.00 51.96 50.44 4sga s ALA 17 Cb 0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 23.12 22.52 4sga s ALA 17 CO 0.00 -0.30 1.24 0.41 0.00 0.00 0.00 175.76 177.12 4sga n GLY 18 N -1.55 0.46 2.44 0.00 0.00 0.43 -2.57 105.19 104.40 4sga n GLY 18 Ca -0.05 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.05 4sga n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4sga n GLY 19 N 0.88 1.63 3.92 -0.02 0.00 0.81 -0.84 105.19 111.57 4sga n GLY 19 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 4sga n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4sga s GLU 29 N -0.19 3.45 0.34 1.61 2.02 -1.06 -2.19 118.70 122.68 4sga s GLU 29 Ca 0.00 0.02 -0.28 0.00 0.02 0.00 0.00 54.97 54.73 4sga s GLU 29 Cb 0.00 -2.44 -0.10 0.00 0.10 0.00 0.00 34.13 31.69 4sga s GLU 29 CO 0.00 -0.17 1.24 0.00 0.02 0.00 0.00 175.26 176.35 4sga s ALA 30 N -2.66 3.41 -0.02 5.21 0.00 -1.26 -0.36 121.76 126.08 4sga s ALA 30 Ca 0.46 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.58 4sga s ALA 30 Cb -0.10 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.59 4sga s ALA 30 CO 0.42 -0.53 -0.09 0.96 0.00 0.00 0.00 175.76 176.52 4sga s ILE 31 N -1.20 0.78 0.20 0.00 -4.36 -0.86 -4.83 121.20 110.94 4sga s ILE 31 Ca 0.50 -0.39 0.02 0.00 -0.26 0.00 0.00 60.65 60.52 4sga s ILE 31 Cb -0.37 -0.68 -0.05 0.00 1.25 0.00 0.00 42.46 42.62 4sga s ILE 31 CO 0.48 0.23 0.02 0.42 0.24 0.00 0.00 174.94 176.34 4sga s THR 32 N 0.00 0.70 -0.17 8.37 -4.23 -1.26 -1.44 115.64 117.61 4sga s THR 32 Ca 0.00 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 58.46 4sga s THR 32 Cb -0.06 -2.27 0.08 0.00 1.34 0.00 0.00 72.50 71.59 4sga s THR 32 CO 0.00 -0.35 0.35 0.28 -0.54 0.00 0.00 174.62 174.36 4sga s THR 33 N -3.65 -0.55 0.00 3.99 -1.32 -0.61 -0.71 115.64 112.80 4sga s THR 33 Ca 0.28 0.20 0.00 0.00 -1.21 0.00 0.00 61.69 60.96 4sga s THR 33 Cb 0.06 -0.58 0.00 0.00 -1.51 0.00 0.00 72.50 70.47 4sga s THR 33 CO 0.07 0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.17 4sga n GLY 34 N 5.37 2.98 0.42 6.08 0.00 -1.26 -0.74 105.19 118.04 4sga n GLY 34 Ca -0.07 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 45.94 4sga n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4sga n GLY 39 N 0.00 -0.02 3.86 -0.02 0.00 -1.26 -4.93 105.19 102.82 4sga n GLY 39 Ca 0.00 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 4sga n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 4sga s SER 40 N -1.51 6.71 -0.03 1.61 0.01 0.08 -5.10 113.70 115.47 4sga s SER 40 Ca 0.30 0.89 0.03 0.00 1.31 0.00 0.00 55.95 58.47 4sga s SER 40 Cb 0.15 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.17 4sga s SER 40 CO 0.24 0.18 -0.10 -0.60 0.41 0.00 0.00 173.24 173.37 4sga s ARG 41 N -1.78 1.03 0.06 12.44 3.52 -1.26 -1.57 118.95 131.39 4sga s ARG 41 Ca 0.32 -0.34 0.01 0.00 -0.13 0.00 0.00 55.73 55.59 4sga s ARG 41 Cb -0.15 -0.95 -0.00 0.00 -1.56 0.00 0.00 34.95 32.29 4sga s ARG 41 CO 0.17 0.13 0.02 0.00 -0.81 0.00 0.00 175.30 174.82 4sga s SER 43 N -1.36 3.24 0.27 0.00 0.01 0.11 -2.03 113.70 113.94 4sga s SER 43 Ca 0.03 -0.83 -0.29 0.00 1.31 0.00 0.00 55.95 56.17 4sga s SER 43 Cb 0.00 -0.23 -0.09 0.00 0.21 0.00 0.00 66.02 65.91 4sga s SER 43 CO 0.02 0.11 1.03 -0.22 0.41 0.00 0.00 173.24 174.59 4sga s LEU 44 N -2.49 4.56 0.00 2.44 0.20 0.51 -3.49 118.68 120.42 4sga s LEU 44 Ca 0.18 2.11 0.00 0.00 0.69 0.00 0.00 54.13 57.11 4sga s LEU 44 Cb -0.08 -3.67 0.00 0.00 -0.43 0.00 0.00 46.19 42.01 4sga s LEU 44 CO 0.08 -0.03 0.00 0.61 -0.29 0.00 0.00 176.35 176.72 4sga n GLY 45 N 1.24 0.62 3.19 7.98 0.00 0.38 -0.13 105.19 118.47 4sga n GLY 45 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 4sga n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 4sga s PHE 46 N -0.37 -0.26 0.12 1.61 0.08 -1.16 -4.05 117.98 113.95 4sga s PHE 46 Ca 0.00 0.60 -0.27 0.00 0.12 0.00 0.00 56.93 57.38 4sga s PHE 46 Cb 0.00 0.10 -0.07 0.00 -0.57 0.00 0.00 43.02 42.48 4sga s PHE 46 CO 0.00 -0.22 0.83 -0.80 -0.10 0.00 0.00 175.22 174.93 4sga s ASN 47 N -0.32 7.38 0.22 1.36 0.01 -1.26 -0.70 114.94 121.63 4sga s ASN 47 Ca -0.04 1.64 0.00 0.00 -0.71 0.00 0.00 52.86 53.75 4sga s ASN 47 Cb -0.03 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 4sga s ASN 47 CO 0.01 0.07 0.15 0.68 -1.51 0.00 0.00 177.10 176.50 4sga s VAL 48 N -0.49 0.04 -0.01 1.60 -7.23 0.23 -2.05 120.40 112.50 4sga s VAL 48 Ca 0.40 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.65 4sga s VAL 48 Cb -0.23 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 4sga s VAL 48 CO 0.27 0.00 -0.24 -0.55 -0.31 0.00 0.00 175.10 174.26 4sga s SER 48 N -3.20 2.84 -0.28 4.85 0.15 0.97 -1.02 113.70 118.02 4sga s SER 48 Ca 0.39 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.59 4sga s SER 48 Cb 0.06 -0.30 0.08 0.00 -1.71 0.00 0.00 66.02 64.15 4sga s SER 48 CO 0.14 0.28 0.02 -0.69 1.20 0.00 0.00 173.24 174.20 4sga s VAL 48 N -0.61 1.44 -1.45 4.45 1.01 -0.19 -0.93 120.40 124.13 4sga s VAL 48 Ca 0.09 -1.49 -0.08 0.00 0.00 0.00 0.00 61.98 60.50 4sga s VAL 48 Cb -0.09 -1.91 0.05 0.00 0.00 0.00 0.00 36.38 34.42 4sga s VAL 48 CO -0.00 -0.40 0.81 0.59 0.00 0.00 0.00 175.10 176.10 4sga n ASN 48 N 4.65 -2.96 0.00 3.32 4.13 -1.26 -0.89 115.26 122.25 4sga n ASN 48 Ca -0.05 -0.83 0.00 0.00 1.68 0.00 0.00 54.58 55.38 4sga n ASN 48 Cb 0.43 -3.78 0.00 0.00 -1.54 0.00 0.00 39.78 34.89 4sga n ASN 48 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 4sga n GLY 48 N -1.67 2.11 3.64 7.41 0.00 -1.26 -5.02 105.19 110.41 4sga n GLY 48 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 4sga n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4sga s VAL 49 N -3.26 5.19 0.09 1.61 1.01 -0.07 -5.04 120.40 119.93 4sga s VAL 49 Ca 0.00 0.63 -0.31 0.00 0.00 0.00 0.00 61.98 62.30 4sga s VAL 49 Cb 0.00 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.59 4sga s VAL 49 CO 0.00 0.20 1.52 0.00 0.00 0.00 0.00 175.10 176.83 4sga s ALA 50 N 1.69 3.67 0.23 5.51 0.00 -1.26 -1.02 121.76 130.58 4sga s ALA 50 Ca 0.17 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.30 4sga s ALA 50 Cb -0.15 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 4sga s ALA 50 CO 0.09 -0.87 0.14 -1.01 0.00 0.00 0.00 175.76 174.10 4sga s HIS 51 N 1.86 1.30 -0.04 0.00 3.76 -0.19 -2.14 115.29 119.84 4sga s HIS 51 Ca 0.69 -1.37 0.02 0.00 -0.15 0.00 0.00 55.06 54.25 4sga s HIS 51 Cb -0.39 -0.65 0.01 0.00 1.11 0.00 0.00 32.58 32.67 4sga s HIS 51 CO 0.30 -0.60 -0.09 0.00 -0.85 0.00 0.00 174.74 173.50 4sga s ALA 52 N -4.00 0.97 0.14 -1.40 0.00 0.85 -0.60 121.76 117.72 4sga s ALA 52 Ca 0.39 -0.30 -0.09 0.00 0.00 0.00 0.00 51.96 51.95 4sga s ALA 52 Cb 0.07 -0.43 -0.06 0.00 0.00 0.00 0.00 23.12 22.70 4sga s ALA 52 CO 0.14 0.11 0.45 -0.51 0.00 0.00 0.00 175.76 175.94 4sga s LEU 53 N 0.50 4.28 0.00 0.00 1.02 0.13 -1.38 118.68 123.22 4sga s LEU 53 Ca -0.09 0.80 -0.02 0.00 0.02 0.00 0.00 54.13 54.84 4sga s LEU 53 Cb -0.12 -3.28 0.01 0.00 0.02 0.00 0.00 46.19 42.81 4sga s LEU 53 CO 0.02 0.07 0.16 1.07 0.02 0.00 0.00 176.35 177.69 4sga n THR 54 N 0.41 0.00 -2.69 5.49 5.66 -0.67 -0.47 114.28 122.02 4sga n THR 54 Ca -0.04 -0.32 -0.36 0.00 -3.05 0.00 0.00 64.05 60.28 4sga n THR 54 Cb 0.52 0.25 -0.06 0.00 -1.55 0.00 0.00 70.33 69.50 4sga n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 4sga s ALA 55 N -1.51 3.09 0.33 1.79 0.00 -1.26 -1.53 121.76 122.66 4sga s ALA 55 Ca 0.05 0.56 0.11 0.00 0.00 0.00 0.00 51.96 52.68 4sga s ALA 55 Cb -0.01 -3.21 0.57 0.00 0.00 0.00 0.00 23.12 20.47 4sga s ALA 55 CO 0.04 -0.01 1.75 0.78 0.00 0.00 0.00 175.76 178.31 4sga h GLY 56 N 2.48 0.06 2.00 0.00 0.00 -1.57 -2.06 103.07 103.98 4sga h GLY 56 Ca -0.48 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.79 4sga h GLY 56 CO 0.63 0.05 0.00 1.12 0.00 0.00 0.00 176.54 178.34 4sga h HIS 57 N 0.05 0.00 0.00 5.60 2.07 -1.87 0.61 115.15 121.61 4sga h HIS 57 Ca 0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 4sga h HIS 57 Cb 0.80 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.77 4sga h HIS 57 CO 0.00 0.00 -0.35 0.00 -3.07 0.00 0.00 177.93 174.51 4sga h THR 59 N -1.00 0.21 0.00 0.00 1.35 -1.16 -1.76 112.91 110.55 4sga h THR 59 Ca -0.09 -0.35 -0.03 0.00 -0.55 0.00 0.00 66.41 65.40 4sga h THR 59 Cb 0.87 1.28 -0.00 0.00 -1.73 0.00 0.00 68.15 68.56 4sga h THR 59 CO -0.05 0.04 -0.12 0.78 -0.25 0.00 0.00 175.52 175.92 4sga h ASN 62 N 0.00 0.00 -0.12 5.36 4.21 -1.01 -3.12 115.58 120.90 4sga h ASN 62 Ca -0.00 0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.53 4sga h ASN 62 Cb 0.28 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.46 4sga h ASN 62 CO 0.01 0.12 -0.02 0.40 -1.29 0.00 0.00 177.43 176.65 4sga h ILE 63 N 0.00 0.90 -3.23 2.81 2.04 -1.48 -3.47 117.51 115.07 4sga h ILE 63 Ca -0.00 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 4sga h ILE 63 Cb 0.29 0.88 -0.10 0.00 -0.74 0.00 0.00 36.82 37.14 4sga h ILE 63 CO 0.02 0.00 0.07 -0.55 0.00 0.00 0.00 178.15 177.69 4sga s SER 64 N -5.21 -0.31 0.09 1.72 0.15 -1.18 -5.03 113.70 103.93 4sga s SER 64 Ca -0.13 -0.39 0.24 0.00 0.70 0.00 0.00 55.95 56.37 4sga s SER 64 Cb 0.08 0.58 0.23 0.00 -1.71 0.00 0.00 66.02 65.20 4sga s SER 64 CO 0.67 -1.04 1.20 0.00 1.20 0.00 0.00 173.24 175.27 4sga n ALA 65 N -0.35 3.10 -3.22 5.45 0.00 -1.26 -4.79 120.51 119.44 4sga n ALA 65 Ca -0.11 -0.31 -0.36 0.00 0.00 0.00 0.00 53.44 52.65 4sga n ALA 65 Cb 0.63 -1.09 -0.13 0.00 0.00 0.00 0.00 19.45 18.86 4sga n ALA 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 4sga s SER 65 N -4.12 4.91 0.27 0.00 0.15 -1.26 -0.91 113.70 112.75 4sga s SER 65 Ca 0.05 -0.43 0.11 0.00 0.70 0.00 0.00 55.95 56.38 4sga s SER 65 Cb 0.14 -1.86 -0.05 0.00 -1.71 0.00 0.00 66.02 62.54 4sga s SER 65 CO 0.75 -0.09 -0.16 0.26 1.20 0.00 0.00 173.24 175.21 4sga s TRP 66 N 1.54 2.38 0.40 3.44 0.52 0.22 -4.59 118.94 122.85 4sga s TRP 66 Ca 0.05 -0.31 0.16 0.00 0.02 0.00 0.00 56.10 56.02 4sga s TRP 66 Cb -0.16 -1.05 1.04 0.00 -1.15 0.00 0.00 33.47 32.16 4sga s TRP 66 CO 0.01 0.68 1.84 0.66 0.02 0.00 0.00 176.95 180.16 4sga h SER 84 N 2.26 0.46 0.17 2.95 4.64 -1.30 -1.86 113.55 120.86 4sga h SER 84 Ca -0.41 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 4sga h SER 84 Cb 1.25 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 4sga h SER 84 CO 0.59 0.17 -0.61 2.30 -0.87 0.00 0.00 176.83 178.41 4sga n ILE 85 N -4.55 0.00 -3.68 0.95 -5.35 -1.26 -5.01 119.36 100.46 4sga n ILE 85 Ca 0.20 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.60 4sga n ILE 85 Cb 0.70 0.76 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 4sga n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 4sga n GLY 86 N 1.45 -0.40 3.63 3.28 0.00 -0.70 -1.08 105.19 111.37 4sga n GLY 86 Ca 0.07 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 4sga n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 4sga s THR 87 N -3.02 4.21 0.21 2.61 2.01 -0.93 -0.61 115.64 120.13 4sga s THR 87 Ca 0.00 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 4sga s THR 87 Cb 0.00 -2.79 -0.10 0.00 0.01 0.00 0.00 72.50 69.62 4sga s THR 87 CO 0.00 0.57 1.45 -0.60 -0.69 0.00 0.00 174.62 175.35 4sga s ARG 88 N -0.48 4.27 0.00 4.92 3.52 -0.08 -0.03 118.95 131.06 4sga s ARG 88 Ca 0.08 2.27 0.00 0.00 -0.13 0.00 0.00 55.73 57.96 4sga s ARG 88 Cb -0.12 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 4sga s ARG 88 CO 0.02 -0.45 0.59 0.25 -0.81 0.00 0.00 175.30 174.90 4sga n THR 89 N 2.89 0.21 -3.60 4.11 -2.24 -0.16 -4.86 114.28 110.63 4sga n THR 89 Ca 0.09 -0.59 -0.09 0.00 -2.27 0.00 0.00 64.05 61.19 4sga n THR 89 Cb 0.40 0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 69.49 4sga n THR 89 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 4sga s GLY 90 N -0.21 -0.18 -0.11 3.38 0.00 -1.09 -4.96 107.32 104.15 4sga s GLY 90 Ca 0.00 2.31 -0.21 0.00 0.00 0.00 0.00 44.72 46.82 4sga s GLY 90 CO 0.00 1.24 0.52 -1.08 0.00 0.00 0.00 173.10 173.77 4sga s THR 91 N -0.79 0.01 -0.28 0.90 -1.32 -1.26 -0.89 115.64 112.01 4sga s THR 91 Ca 0.01 -0.12 -0.00 0.00 -1.21 0.00 0.00 61.69 60.36 4sga s THR 91 Cb -0.02 -0.78 0.14 0.00 -1.51 0.00 0.00 72.50 70.33 4sga s THR 91 CO -0.02 -0.07 0.33 -0.55 -2.21 0.00 0.00 174.62 172.11 4sga s SER 93 N -0.54 1.12 -0.27 8.08 0.15 0.21 -4.97 113.70 117.47 4sga s SER 93 Ca -0.07 -0.50 -0.24 0.00 0.70 0.00 0.00 55.95 55.85 4sga s SER 93 Cb -0.03 0.74 0.09 0.00 -1.71 0.00 0.00 66.02 65.10 4sga s SER 93 CO 0.04 -0.36 0.82 0.12 1.20 0.00 0.00 173.24 175.06 4sga s PHE 94 N 2.43 -0.71 0.00 3.44 5.36 -1.26 -2.19 117.98 125.05 4sga s PHE 94 Ca 0.10 1.69 0.00 0.00 -0.96 0.00 0.00 56.93 57.76 4sga s PHE 94 Cb -0.14 0.32 0.00 0.00 -0.34 0.00 0.00 43.02 42.87 4sga s PHE 94 CO -0.29 -0.34 0.00 -0.35 -1.46 0.00 0.00 175.22 172.78 4sga n PRO 99 N 2.68 2.23 0.00 10.12 -0.04 -1.26 -4.96 135.00 143.77 4sga n PRO 99 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 4sga n PRO 99 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 4sga n PRO 99 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 4sga n ASN 100 N 0.00 0.00 -4.97 3.54 5.15 -0.01 -4.73 115.26 114.24 4sga n ASN 100 Ca 0.00 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.78 4sga n ASN 100 Cb 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.31 4sga n ASN 100 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 4sga s ASN 101 N -1.91 5.07 -0.40 1.20 0.02 -1.26 -1.88 114.94 115.78 4sga s ASN 101 Ca 0.00 -0.66 0.09 0.00 -1.02 0.00 0.00 52.86 51.27 4sga s ASN 101 Cb 0.00 0.03 0.28 0.00 0.02 0.00 0.00 41.25 41.58 4sga s ASN 101 CO 0.00 -1.33 0.64 -0.67 0.02 0.00 0.00 177.10 175.77 4sga n ASP 102 N -2.28 -0.12 -3.92 -1.22 4.64 -1.19 -4.04 116.55 108.41 4sga n ASP 102 Ca 0.14 -2.89 -0.09 0.00 -1.38 0.00 0.00 54.79 50.57 4sga n ASP 102 Cb 0.61 -0.23 -0.08 0.00 -1.04 0.00 0.00 41.12 40.37 4sga n ASP 102 CO 0.00 0.00 0.00 -0.72 -0.82 0.00 0.00 177.20 175.66 4sga s TYR 103 N -1.22 0.23 0.21 -0.67 1.13 -0.93 -3.42 117.35 112.67 4sga s TYR 103 Ca 0.35 -0.65 -0.20 0.00 -1.41 0.00 0.00 57.07 55.16 4sga s TYR 103 Cb 0.23 -0.14 0.04 0.00 -1.10 0.00 0.00 41.96 40.98 4sga s TYR 103 CO -0.11 -0.47 0.61 0.20 -2.51 0.00 0.00 175.55 173.27 4sga s GLY 104 N -2.67 -0.28 0.01 5.49 0.00 -0.58 -0.62 107.32 108.67 4sga s GLY 104 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 44.72 44.75 4sga s GLY 104 CO -0.09 -0.06 -0.02 -1.50 0.00 0.00 0.00 173.10 171.43 4sga s ILE 105 N -3.84 0.09 -0.06 0.90 2.07 -0.07 -1.66 121.20 118.62 4sga s ILE 105 Ca 0.07 -0.56 0.02 0.00 -1.41 0.00 0.00 60.65 58.78 4sga s ILE 105 Cb -0.02 -0.18 0.01 0.00 0.13 0.00 0.00 42.46 42.40 4sga s ILE 105 CO -0.03 -0.29 -0.12 -0.63 -1.91 0.00 0.00 174.94 171.95 4sga s ILE 106 N -0.88 1.09 -0.07 2.00 1.01 -0.48 -0.99 121.20 122.89 4sga s ILE 106 Ca -0.09 -0.47 -0.23 0.00 0.00 0.00 0.00 60.65 59.85 4sga s ILE 106 Cb -0.06 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 4sga s ILE 106 CO -0.01 0.34 0.70 -0.60 0.00 0.00 0.00 174.94 175.38 4sga s ARG 107 N 0.57 4.44 0.21 2.79 3.52 0.96 -0.11 118.95 131.33 4sga s ARG 107 Ca -0.12 0.88 -0.30 0.00 -0.13 0.00 0.00 55.73 56.06 4sga s ARG 107 Cb -0.15 -3.45 -0.10 0.00 -1.56 0.00 0.00 34.95 29.70 4sga s ARG 107 CO 0.03 0.06 1.44 -1.01 -0.81 0.00 0.00 175.30 175.01 4sga s HIS 108 N 0.80 3.09 0.32 5.12 3.76 -0.91 -2.18 115.29 125.28 4sga s HIS 108 Ca 0.38 0.98 0.10 0.00 -0.15 0.00 0.00 55.06 56.37 4sga s HIS 108 Cb -0.18 -3.79 0.52 0.00 1.11 0.00 0.00 32.58 30.24 4sga s HIS 108 CO 0.18 -2.64 1.72 0.77 -0.85 0.00 0.00 174.74 173.92 4sga h SER 109 N 5.56 0.07 -3.54 1.40 0.02 -1.46 -3.39 113.55 112.20 4sga h SER 109 Ca -0.45 -0.03 -0.62 0.00 -0.84 0.00 0.00 61.79 59.85 4sga h SER 109 Cb 1.21 -0.02 -0.40 0.00 0.14 0.00 0.00 62.40 63.33 4sga h SER 109 CO 0.81 0.53 -0.73 0.21 -1.14 0.00 0.00 176.83 176.51 4sga s ASN 110 N -6.89 4.32 0.62 3.07 2.47 -1.26 -4.99 114.94 112.27 4sga s ASN 110 Ca -0.03 -2.12 0.33 0.00 0.42 0.00 0.00 52.86 51.47 4sga s ASN 110 Cb 0.13 -1.28 1.91 0.00 -1.45 0.00 0.00 41.25 40.57 4sga s ASN 110 CO 0.75 -0.36 2.21 1.55 -3.72 0.00 0.00 177.10 177.53 4sga h PRO 111 N 7.56 0.00 0.00 0.43 0.13 -1.94 0.15 132.00 138.33 4sga h PRO 111 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 4sga h PRO 111 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 4sga h PRO 111 CO 0.51 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.28 4sga h ALA 112 N 1.88 1.00 -0.00 -0.56 0.00 -1.97 -2.71 119.26 116.89 4sga h ALA 112 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 4sga h ALA 112 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 4sga h ALA 112 CO -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 179.25 179.13 4sga n ALA 113 N -1.88 2.75 -2.54 0.00 0.00 0.04 -4.66 120.51 114.21 4sga n ALA 113 Ca 0.02 -0.24 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 4sga n ALA 113 Cb 0.25 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.35 4sga n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4sga s ALA 114 N -2.57 3.18 -0.44 0.00 0.00 -1.02 -1.45 121.76 119.46 4sga s ALA 114 Ca 0.26 -2.83 -0.28 0.00 0.00 0.00 0.00 51.96 49.11 4sga s ALA 114 Cb 0.20 -4.65 0.03 0.00 0.00 0.00 0.00 23.12 18.70 4sga s ALA 114 CO 0.49 -3.45 1.08 0.34 0.00 0.00 0.00 175.76 174.22 4sga s ASP 115 N 4.43 6.67 0.00 0.00 -1.08 -1.20 -4.95 116.67 120.54 4sga s ASP 115 Ca 0.55 0.53 -0.04 0.00 -0.52 0.00 0.00 52.55 53.07 4sga s ASP 115 Cb 0.03 -2.53 -0.17 0.00 -1.46 0.00 0.00 42.92 38.80 4sga s ASP 115 CO 0.08 -1.12 2.79 0.61 0.52 0.00 0.00 175.17 178.04 4sga n GLY 116 N 4.64 2.57 3.28 2.66 0.00 -1.26 -4.50 105.19 112.58 4sga n GLY 116 Ca 0.11 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 4sga n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 4sga s ARG 117 N 1.06 1.48 -0.09 1.61 0.52 -1.26 -1.89 118.95 120.37 4sga s ARG 117 Ca 0.43 -1.74 0.04 0.00 -0.52 0.00 0.00 55.73 53.94 4sga s ARG 117 Cb 0.20 0.32 -0.01 0.00 0.52 0.00 0.00 34.95 35.99 4sga s ARG 117 CO 0.00 -0.53 -0.22 0.08 0.02 0.00 0.00 175.30 174.65 4sga s VAL 118 N -3.81 2.30 0.02 3.52 1.01 0.38 -0.43 120.40 123.38 4sga s VAL 118 Ca 0.38 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 4sga s VAL 118 Cb 0.04 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 4sga s VAL 118 CO 0.18 0.56 0.98 -0.47 0.00 0.00 0.00 175.10 176.34 4sga s TYR 119 N 0.12 3.69 -2.52 5.22 5.04 -0.02 0.32 117.35 129.19 4sga s TYR 119 Ca -0.11 1.71 0.23 0.00 -2.44 0.00 0.00 57.07 56.47 4sga s TYR 119 Cb -0.16 -3.11 0.52 0.00 0.35 0.00 0.00 41.96 39.56 4sga s TYR 119 CO 0.06 0.02 1.44 1.28 -1.34 0.00 0.00 175.55 177.01 4sga n LEU 120 N 3.69 2.72 -2.18 6.97 4.77 0.01 -4.83 117.00 128.17 4sga n LEU 120 Ca 0.05 -1.10 -0.18 0.00 -0.03 0.00 0.00 56.01 54.75 4sga n LEU 120 Cb 0.51 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 4sga n LEU 120 CO 0.52 0.55 -0.16 -1.22 -1.33 0.00 0.00 177.39 175.75 4sga n TYR 120 N 1.04 -1.09 -2.18 -1.77 4.01 -1.26 -4.51 117.16 111.40 4sga n TYR 120 Ca 0.17 0.14 0.01 0.00 -0.16 0.00 0.00 57.90 58.06 4sga n TYR 120 Cb 0.51 -3.64 -0.00 0.00 -0.31 0.00 0.00 39.34 35.90 4sga n TYR 120 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 4sga n ASN 120 N -1.50 0.25 0.00 7.72 0.23 -1.26 -4.94 115.26 115.76 4sga n ASN 120 Ca -0.17 -1.87 0.00 0.00 -0.53 0.00 0.00 54.58 52.00 4sga n ASN 120 Cb 0.64 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 4sga n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 4sga n GLY 120 N 0.18 0.62 3.48 4.83 0.00 -1.26 -5.02 105.19 108.02 4sga n GLY 120 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 4sga n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 4sga s SER 120 N -2.28 3.06 0.07 1.61 0.01 -1.26 -5.04 113.70 109.87 4sga s SER 120 Ca 0.00 -1.24 0.03 0.00 1.31 0.00 0.00 55.95 56.05 4sga s SER 120 Cb 0.00 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 4sga s SER 120 CO 0.00 -0.36 -0.09 -0.31 0.41 0.00 0.00 173.24 172.89 4sga s TYR 121 N -2.93 0.90 -0.20 2.43 1.51 -1.26 -0.81 117.35 117.00 4sga s TYR 121 Ca 0.32 -0.63 -0.09 0.00 -1.01 0.00 0.00 57.07 55.67 4sga s TYR 121 Cb 0.05 -0.51 -0.04 0.00 -0.11 0.00 0.00 41.96 41.34 4sga s TYR 121 CO 0.14 -0.05 0.10 -1.14 -1.11 0.00 0.00 175.55 173.49 4sga s GLN 122 N -2.43 4.03 0.21 -0.62 2.00 0.15 -4.92 119.66 118.09 4sga s GLN 122 Ca 0.00 -0.30 -0.30 0.00 -2.00 0.00 0.00 55.36 52.76 4sga s GLN 122 Cb -0.05 -3.33 -0.08 0.00 0.80 0.00 0.00 33.01 30.35 4sga s GLN 122 CO -0.01 0.22 1.04 0.34 -0.50 0.00 0.00 175.29 176.39 4sga s ASP 123 N 0.55 7.39 -0.12 6.67 2.15 -1.26 -0.47 116.67 131.57 4sga s ASP 123 Ca 0.05 2.07 -0.03 0.00 0.43 0.00 0.00 52.55 55.07 4sga s ASP 123 Cb -0.12 -2.61 -0.03 0.00 -0.30 0.00 0.00 42.92 39.85 4sga s ASP 123 CO 0.00 -0.09 -0.00 -0.63 -0.17 0.00 0.00 175.17 174.29 4sga s ILE 124 N -0.71 4.24 0.00 4.11 -1.09 -0.79 -4.15 121.20 122.81 4sga s ILE 124 Ca 0.46 -0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.62 4sga s ILE 124 Cb -0.29 -2.83 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 4sga s ILE 124 CO 0.35 0.55 0.00 0.35 -1.23 0.00 0.00 174.94 174.96 4sga n THR 125 N 2.81 0.00 -4.19 2.92 -2.24 0.33 -4.79 114.28 109.12 4sga n THR 125 Ca -0.18 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.45 4sga n THR 125 Cb 0.53 -0.37 -0.08 0.00 -2.10 0.00 0.00 70.33 68.31 4sga n THR 125 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 4sga s THR 126 N -1.63 0.00 0.08 4.28 -1.32 -0.95 -4.92 115.64 111.17 4sga s THR 126 Ca 0.00 -1.87 0.08 0.00 -1.21 0.00 0.00 61.69 58.69 4sga s THR 126 Cb 0.00 -2.51 -0.04 0.00 -1.51 0.00 0.00 72.50 68.45 4sga s THR 126 CO 0.00 0.00 -0.19 0.00 -2.21 0.00 0.00 174.62 172.22 4sga s ALA 127 N -3.64 2.60 0.19 11.08 0.00 -1.26 -0.03 121.76 130.70 4sga s ALA 127 Ca 0.37 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 51.05 4sga s ALA 127 Cb 0.03 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.48 4sga s ALA 127 CO 0.20 0.58 0.24 0.41 0.00 0.00 0.00 175.76 177.18 4sga n GLY 128 N 1.23 2.79 3.63 0.00 0.00 0.13 -4.83 105.19 108.15 4sga n GLY 128 Ca -0.16 -1.58 -0.34 0.00 0.00 0.00 0.00 46.02 43.93 4sga n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 4sga s ASN 129 N -2.22 5.00 0.67 1.61 0.01 -1.26 -4.50 114.94 114.25 4sga s ASN 129 Ca 0.18 0.07 -0.12 0.00 -0.71 0.00 0.00 52.86 52.27 4sga s ASN 129 Cb -0.00 -1.39 -0.00 0.00 0.41 0.00 0.00 41.25 40.26 4sga s ASN 129 CO 0.13 0.36 1.06 0.00 -1.51 0.00 0.00 177.10 177.13 4sga s ALA 130 N -0.76 2.72 0.03 0.60 0.00 -1.26 -5.08 121.76 118.00 4sga s ALA 130 Ca 0.12 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.23 4sga s ALA 130 Cb -0.11 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 4sga s ALA 130 CO 0.02 -1.10 -0.06 -0.59 0.00 0.00 0.00 175.76 174.03 4sga s PHE 131 N -2.93 0.48 0.18 0.00 -0.71 -1.26 -5.08 117.98 108.65 4sga s PHE 131 Ca 0.59 -0.39 -0.32 0.00 -1.04 0.00 0.00 56.93 55.77 4sga s PHE 131 Cb -0.14 -0.30 -0.11 0.00 -1.21 0.00 0.00 43.02 41.26 4sga s PHE 131 CO 0.51 -0.09 1.68 0.08 -1.34 0.00 0.00 175.22 176.06 4sga s VAL 132 N -1.07 2.31 0.00 -2.49 1.01 -1.26 -1.63 120.40 117.27 4sga s VAL 132 Ca -0.09 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.07 4sga s VAL 132 Cb -0.08 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.19 4sga s VAL 132 CO -0.00 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.72 4sga n GLY 133 N 3.94 0.60 3.75 4.51 0.00 0.20 -5.00 105.19 113.19 4sga n GLY 133 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 4sga n GLY 133 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 4sga s GLN 134 N -0.80 4.42 -0.13 1.61 0.74 -0.65 -4.72 119.66 120.14 4sga s GLN 134 Ca 0.00 2.06 -0.29 0.00 0.05 0.00 0.00 55.36 57.18 4sga s GLN 134 Cb 0.00 -3.15 -0.02 0.00 1.10 0.00 0.00 33.01 30.93 4sga s GLN 134 CO 0.00 -0.15 1.31 0.00 -0.55 0.00 0.00 175.29 175.90 4sga s ALA 135 N -0.50 3.63 0.23 1.58 0.00 -1.26 -1.51 121.76 123.93 4sga s ALA 135 Ca 0.52 0.56 0.02 0.00 0.00 0.00 0.00 51.96 53.07 4sga s ALA 135 Cb -0.37 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.08 4sga s ALA 135 CO 0.43 -1.14 0.04 0.14 0.00 0.00 0.00 175.76 175.23 4sga s VAL 136 N 3.35 0.80 0.11 0.00 -7.23 -0.22 -4.75 120.40 112.46 4sga s VAL 136 Ca 0.58 -2.01 0.05 0.00 -1.81 0.00 0.00 61.98 58.79 4sga s VAL 136 Cb -0.24 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 4sga s VAL 136 CO 0.18 -0.23 -0.13 -1.10 -0.31 0.00 0.00 175.10 173.51 4sga s GLN 137 N -3.93 0.95 -0.01 4.82 -0.21 -0.40 -1.48 119.66 119.40 4sga s GLN 137 Ca 0.31 -1.17 0.02 0.00 0.02 0.00 0.00 55.36 54.54 4sga s GLN 137 Cb 0.07 -0.81 -0.00 0.00 1.00 0.00 0.00 33.01 33.26 4sga s GLN 137 CO 0.10 0.16 -0.06 0.50 -2.12 0.00 0.00 175.29 173.86 4sga s ARG 138 N -2.52 0.52 -0.04 2.91 3.52 0.48 -1.19 118.95 122.64 4sga s ARG 138 Ca 0.06 -0.20 0.06 0.00 -0.13 0.00 0.00 55.73 55.52 4sga s ARG 138 Cb -0.05 -0.51 -0.01 0.00 -1.56 0.00 0.00 34.95 32.81 4sga s ARG 138 CO 0.02 0.11 -0.21 0.45 -0.81 0.00 0.00 175.30 174.86 4sga s SER 139 N -0.02 2.53 0.11 -2.12 0.15 -0.62 -1.41 113.70 112.32 4sga s SER 139 Ca 0.01 -0.41 -0.25 0.00 0.70 0.00 0.00 55.95 56.00 4sga s SER 139 Cb -0.04 -0.52 0.07 0.00 -1.71 0.00 0.00 66.02 63.82 4sga s SER 139 CO -0.00 0.22 0.64 -0.83 1.20 0.00 0.00 173.24 174.47 4sga s GLY 140 N -0.24 -0.60 0.00 9.45 0.00 0.09 -2.52 107.32 113.50 4sga s GLY 140 Ca 0.01 0.67 0.26 0.00 0.00 0.00 0.00 44.72 45.67 4sga s GLY 140 CO 0.01 0.31 1.86 -1.14 0.00 0.00 0.00 173.10 174.14 4sga n SER 141 N -0.16 0.00 -0.12 1.64 3.41 -0.93 -0.41 113.62 117.06 4sga n SER 141 Ca -0.17 0.19 -0.23 0.00 -0.26 0.00 0.00 58.87 58.40 4sga n SER 141 Cb 0.63 -0.39 -0.09 0.00 -0.26 0.00 0.00 64.21 64.11 4sga n SER 141 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 4sga n THR 142 N -1.39 1.52 0.89 6.66 -1.04 -1.26 -4.64 114.28 115.03 4sga n THR 142 Ca 0.10 -0.17 0.10 0.00 -2.04 0.00 0.00 64.05 62.04 4sga n THR 142 Cb 0.25 -2.02 0.05 0.00 -1.82 0.00 0.00 70.33 66.80 4sga n THR 142 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 4sga n THR 143 N -4.36 0.00 -0.82 12.58 -2.24 -1.25 -5.08 114.28 113.12 4sga n THR 143 Ca -0.40 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 4sga n THR 143 Cb 0.74 1.36 0.00 0.00 -2.10 0.00 0.00 70.33 70.33 4sga n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 4sga n GLY 156 N 1.24 0.96 3.69 3.38 0.00 0.46 -4.77 105.19 110.16 4sga n GLY 156 Ca 0.11 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 4sga n GLY 156 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 4sga s LEU 157 N 0.00 3.84 0.03 0.99 2.96 -1.26 -0.73 118.68 124.51 4sga s LEU 157 Ca 0.00 0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 54.07 4sga s LEU 157 Cb 0.00 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 4sga s LEU 157 CO 0.00 0.28 -0.01 -0.13 -1.32 0.00 0.00 176.35 175.17 4sga s ARG 158 N -0.28 0.43 0.24 1.98 1.81 -0.50 -4.99 118.95 117.65 4sga s ARG 158 Ca 0.08 -0.78 0.06 0.00 -1.72 0.00 0.00 55.73 53.37 4sga s ARG 158 Cb -0.12 0.15 -0.05 0.00 -0.45 0.00 0.00 34.95 34.48 4sga s ARG 158 CO 0.02 -0.08 -0.06 -1.54 -0.68 0.00 0.00 175.30 172.96 4sga s SER 159 N -1.92 2.38 0.00 0.23 1.04 -1.26 -0.39 113.70 113.77 4sga s SER 159 Ca -0.09 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.19 4sga s SER 159 Cb -0.04 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.98 4sga s SER 159 CO -0.04 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.43 4sga n GLY 160 N -0.46 -0.75 3.20 7.32 0.00 -0.55 -4.72 105.19 109.23 4sga n GLY 160 Ca -0.06 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 4sga n GLY 160 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 4sga s SER 161 N -4.00 0.07 0.06 1.61 1.04 -1.26 -1.06 113.70 110.16 4sga s SER 161 Ca 0.00 -0.51 -0.30 0.00 0.48 0.00 0.00 55.95 55.61 4sga s SER 161 Cb 0.00 0.32 -0.05 0.00 0.10 0.00 0.00 66.02 66.39 4sga s SER 161 CO 0.00 -0.66 1.14 -0.69 0.98 0.00 0.00 173.24 174.01 4sga s VAL 162 N -3.29 4.22 -0.36 5.02 1.01 -0.57 -2.18 120.40 124.26 4sga s VAL 162 Ca 0.01 1.62 0.06 0.00 0.00 0.00 0.00 61.98 63.67 4sga s VAL 162 Cb 0.02 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 4sga s VAL 162 CO -0.08 0.14 0.31 0.35 0.00 0.00 0.00 175.10 175.82 4sga n THR 163 N 3.80 0.00 -3.55 3.92 -2.24 0.15 -0.63 114.28 115.73 4sga n THR 163 Ca 0.08 -0.37 -0.06 0.00 -2.27 0.00 0.00 64.05 61.42 4sga n THR 163 Cb 0.47 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.70 4sga n THR 163 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 4sga s GLY 164 N -1.48 -0.37 0.20 3.38 0.00 -1.07 -4.94 107.32 103.04 4sga s GLY 164 Ca 0.03 1.34 0.07 0.00 0.00 0.00 0.00 44.72 46.16 4sga s GLY 164 CO 0.24 0.46 -0.11 1.08 0.00 0.00 0.00 173.10 174.76 4sga s LEU 165 N -2.28 2.51 -1.56 0.66 1.43 -1.26 -0.39 118.68 117.79 4sga s LEU 165 Ca 0.07 -1.06 -0.10 0.00 -1.03 0.00 0.00 54.13 52.01 4sga s LEU 165 Cb -0.01 -0.56 0.08 0.00 0.03 0.00 0.00 46.19 45.73 4sga s LEU 165 CO -0.07 -0.26 0.64 -3.20 0.23 0.00 0.00 176.35 173.69 4sga n ASN 166 N -0.37 -2.11 -4.79 2.29 4.05 -0.94 -4.90 115.26 108.48 4sga n ASN 166 Ca -0.08 -0.99 -0.37 0.00 0.45 0.00 0.00 54.58 53.59 4sga n ASN 166 Cb 0.61 -2.99 -0.06 0.00 1.23 0.00 0.00 39.78 38.57 4sga n ASN 166 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 4sga s ALA 167 N -3.59 3.35 -0.16 5.20 0.00 0.05 -4.39 121.76 122.22 4sga s ALA 167 Ca 0.41 0.36 -0.16 0.00 0.00 0.00 0.00 51.96 52.57 4sga s ALA 167 Cb -0.22 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 4sga s ALA 167 CO 0.90 0.26 0.38 0.99 0.00 0.00 0.00 175.76 178.29 4sga s THR 168 N -1.43 5.24 -0.13 0.00 2.01 -1.26 -1.04 115.64 119.03 4sga s THR 168 Ca 0.43 0.72 0.00 0.00 0.31 0.00 0.00 61.69 63.15 4sga s THR 168 Cb -0.20 -3.72 0.02 0.00 0.01 0.00 0.00 72.50 68.62 4sga s THR 168 CO 0.24 0.33 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.70 4sga s VAL 169 N 0.73 1.33 -0.34 3.82 1.01 0.61 -4.99 120.40 122.57 4sga s VAL 169 Ca 0.20 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 4sga s VAL 169 Cb -0.14 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 4sga s VAL 169 CO 0.07 0.42 0.40 0.21 0.00 0.00 0.00 175.10 176.20 4sga s ASN 170 N 1.53 6.21 -0.25 3.32 3.84 -1.26 -0.48 114.94 127.85 4sga s ASN 170 Ca 0.04 -0.18 0.11 0.00 0.21 0.00 0.00 52.86 53.04 4sga s ASN 170 Cb -0.13 -2.21 0.70 0.00 -0.55 0.00 0.00 41.25 39.06 4sga s ASN 170 CO -0.09 -0.37 1.65 -1.22 -2.79 0.00 0.00 177.10 174.28 4sga n TYR 171 N 5.47 2.02 0.00 0.43 0.53 0.64 -5.00 117.16 121.25 4sga n TYR 171 Ca -0.08 -0.85 0.00 0.00 -1.02 0.00 0.00 57.90 55.95 4sga n TYR 171 Cb 0.49 -0.55 0.00 0.00 -1.03 0.00 0.00 39.34 38.26 4sga n TYR 171 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 4sga n GLY 172 N 0.26 4.30 0.31 2.72 0.00 -1.25 -2.24 105.19 109.30 4sga n GLY 172 Ca 0.30 0.12 0.15 0.00 0.00 0.00 0.00 46.02 46.60 4sga n GLY 172 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 4sga h SER 173 N 0.00 0.00 1.47 1.61 4.64 -2.05 -1.50 113.55 117.72 4sga h SER 173 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 4sga h SER 173 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 4sga h SER 173 CO 0.00 0.00 -0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 4sga n SER 174 N -3.95 0.81 0.00 4.97 7.64 -0.95 -5.04 113.62 117.10 4sga n SER 174 Ca -0.00 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.45 4sga n SER 174 Cb 0.22 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 4sga n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 4sga n GLY 175 N 1.31 -1.89 3.52 0.23 0.00 -0.56 -4.63 105.19 103.16 4sga n GLY 175 Ca 0.06 -2.17 -0.33 0.00 0.00 0.00 0.00 46.02 43.57 4sga n GLY 175 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 4sga s ILE 176 N -0.55 3.39 0.09 -0.61 1.01 -1.26 -0.26 121.20 123.00 4sga s ILE 176 Ca 0.00 -0.59 0.10 0.00 0.00 0.00 0.00 60.65 60.16 4sga s ILE 176 Cb 0.00 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 4sga s ILE 176 CO 0.00 0.58 -0.24 0.68 0.00 0.00 0.00 174.94 175.96 4sga s VAL 177 N -0.61 2.40 0.22 2.92 -7.23 0.37 -0.83 120.40 117.64 4sga s VAL 177 Ca 0.09 -1.52 0.12 0.00 -1.81 0.00 0.00 61.98 58.85 4sga s VAL 177 Cb -0.11 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 4sga s VAL 177 CO 0.01 0.21 -0.22 -0.31 -0.31 0.00 0.00 175.10 174.48 4sga s TYR 178 N -0.98 2.28 -0.91 2.82 1.51 -0.79 -0.28 117.35 121.01 4sga s TYR 178 Ca 0.14 -0.35 -0.02 0.00 -1.01 0.00 0.00 57.07 55.83 4sga s TYR 178 Cb -0.10 -1.08 0.00 0.00 -0.11 0.00 0.00 41.96 40.67 4sga s TYR 178 CO 0.05 0.57 0.20 0.41 -1.11 0.00 0.00 175.55 175.68 4sga n GLY 179 N -0.06 -0.03 3.85 0.71 0.00 -0.97 -4.80 105.19 103.89 4sga n GLY 179 Ca -0.10 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 4sga n GLY 179 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 4sga s MET 180 N -4.93 3.97 0.21 1.61 -1.94 -0.20 -4.36 119.30 113.66 4sga s MET 180 Ca 0.10 0.50 -0.30 0.00 -1.71 0.00 0.00 55.69 54.29 4sga s MET 180 Cb -0.04 -2.79 -0.08 0.00 2.01 0.00 0.00 34.83 33.93 4sga s MET 180 CO 0.12 0.39 1.04 0.42 -0.01 0.00 0.00 175.02 176.98 4sga s ILE 181 N -1.63 3.92 -0.08 2.53 1.01 0.47 -0.77 121.20 126.64 4sga s ILE 181 Ca 0.43 1.78 0.01 0.00 0.00 0.00 0.00 60.65 62.87 4sga s ILE 181 Cb -0.14 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 4sga s ILE 181 CO 0.20 0.36 -0.09 -1.58 0.00 0.00 0.00 174.94 173.83 4sga s GLN 182 N -0.81 2.89 0.18 2.79 0.74 0.48 -0.50 119.66 125.44 4sga s GLN 182 Ca 0.45 -0.60 -0.01 0.00 0.05 0.00 0.00 55.36 55.26 4sga s GLN 182 Cb -0.28 -2.59 -0.04 0.00 1.10 0.00 0.00 33.01 31.20 4sga s GLN 182 CO 0.35 0.54 0.11 0.95 -0.55 0.00 0.00 175.29 176.69 4sga s THR 183 N -0.49 0.05 -0.28 -0.34 -4.23 0.27 -0.67 115.64 109.95 4sga s THR 183 Ca 0.07 -1.98 0.12 0.00 -1.18 0.00 0.00 61.69 58.73 4sga s THR 183 Cb -0.12 -2.39 0.78 0.00 1.34 0.00 0.00 72.50 72.12 4sga s THR 183 CO 0.02 -0.12 1.77 -0.46 -0.54 0.00 0.00 174.62 175.29 4sga n ASN 184 N -0.23 5.31 -4.80 3.99 0.23 -0.93 -1.45 115.26 117.38 4sga n ASN 184 Ca -0.00 -3.07 -0.39 0.00 -0.53 0.00 0.00 54.58 50.59 4sga n ASN 184 Cb 0.65 -0.71 -0.06 0.00 -2.08 0.00 0.00 39.78 37.58 4sga n ASN 184 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 4sga s VAL 190 N -2.88 4.62 0.56 3.53 1.01 -1.26 -4.69 120.40 121.29 4sga s VAL 190 Ca 0.55 1.36 -0.11 0.00 0.00 0.00 0.00 61.98 63.78 4sga s VAL 190 Cb 0.43 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 4sga s VAL 190 CO 0.15 0.53 0.96 0.00 0.00 0.00 0.00 175.10 176.73 4sga s ALA 192 N -2.93 -1.05 0.13 0.00 0.00 -1.26 -4.92 121.76 111.72 4sga s ALA 192 Ca 0.54 -0.14 -0.01 0.00 0.00 0.00 0.00 51.96 52.35 4sga s ALA 192 Cb -0.11 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 4sga s ALA 192 CO 0.46 -0.83 0.04 -0.65 0.00 0.00 0.00 175.76 174.79 4sga s GLN 192 N -3.86 0.92 0.20 0.00 -0.21 -1.26 -4.39 119.66 111.06 4sga s GLN 192 Ca 0.08 -1.43 -0.32 0.00 0.02 0.00 0.00 55.36 53.71 4sga s GLN 192 Cb -0.02 0.19 -0.14 0.00 1.00 0.00 0.00 33.01 34.04 4sga s GLN 192 CO -0.03 -0.24 1.34 -2.30 -2.12 0.00 0.00 175.29 171.95 4sga n PRO 192 N -0.09 1.73 0.00 2.91 -0.02 -1.26 -0.58 135.00 137.68 4sga n PRO 192 Ca -0.06 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 4sga n PRO 192 Cb 0.63 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 4sga n PRO 192 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4sga n GLY 193 N 2.25 2.10 0.18 -1.23 0.00 -1.26 -4.76 105.19 102.46 4sga n GLY 193 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 4sga n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 4sga h ASP 194 N 0.70 0.00 -3.29 1.61 3.45 -1.17 -3.25 116.42 114.47 4sga h ASP 194 Ca 0.00 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.89 4sga h ASP 194 Cb 0.00 0.00 0.13 0.00 -0.56 0.00 0.00 39.33 38.90 4sga h ASP 194 CO 0.00 0.00 0.31 -1.20 -1.57 0.00 0.00 179.24 176.78 4sga n SER 195 N -2.69 1.83 0.00 6.45 7.64 -1.26 -2.08 113.62 123.50 4sga n SER 195 Ca 0.03 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.97 4sga n SER 195 Cb 0.40 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 4sga n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 4sga n GLY 196 N 1.02 2.50 3.63 0.23 0.00 0.70 0.05 105.19 113.32 4sga n GLY 196 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 4sga n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 4sga s GLY 197 N -1.95 1.56 0.10 -0.02 0.00 -0.88 -1.47 107.32 104.66 4sga s GLY 197 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 44.72 44.13 4sga s GLY 197 CO 0.00 0.34 1.02 -0.56 0.00 0.00 0.00 173.10 173.91 4sga s SER 198 N -3.21 7.38 -0.18 1.64 0.01 -1.05 -0.96 113.70 117.34 4sga s SER 198 Ca 0.66 1.87 -0.01 0.00 1.31 0.00 0.00 55.95 59.77 4sga s SER 198 Cb -0.20 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.43 4sga s SER 198 CO 0.59 -0.18 -0.11 -0.22 0.41 0.00 0.00 173.24 173.74 4sga s LEU 199 N 0.18 2.68 0.24 2.44 2.96 -0.49 -1.59 118.68 125.10 4sga s LEU 199 Ca 0.50 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.87 4sga s LEU 199 Cb -0.25 -1.64 -0.00 0.00 0.50 0.00 0.00 46.19 44.79 4sga s LEU 199 CO 0.31 0.06 0.45 0.72 -1.32 0.00 0.00 176.35 176.57 4sga s PHE 200 N 1.00 0.37 -0.31 5.38 -0.12 -0.33 -1.11 117.98 122.86 4sga s PHE 200 Ca -0.01 -0.72 -0.02 0.00 -0.05 0.00 0.00 56.93 56.12 4sga s PHE 200 Cb -0.15 0.16 0.11 0.00 -0.63 0.00 0.00 43.02 42.51 4sga s PHE 200 CO -0.01 -0.96 0.14 0.00 -0.05 0.00 0.00 175.22 174.34 4sga s ALA 201 N -4.01 0.92 0.00 1.99 0.00 -0.63 -1.27 121.76 118.76 4sga s ALA 201 Ca 0.22 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.76 4sga s ALA 201 Cb -0.00 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.62 4sga s ALA 201 CO 0.08 -1.76 0.00 0.41 0.00 0.00 0.00 175.76 174.49 4sga n GLY 202 N 4.86 2.12 0.94 0.00 0.00 -1.26 -1.90 105.19 109.95 4sga n GLY 202 Ca -0.01 -0.45 0.06 0.00 0.00 0.00 0.00 46.02 45.62 4sga n GLY 202 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 4sga n SER 207 N 4.34 2.72 -4.48 1.61 3.41 -1.26 -4.81 113.62 115.15 4sga n SER 207 Ca 0.00 -2.15 -0.36 0.00 -0.26 0.00 0.00 58.87 56.10 4sga n SER 207 Cb 0.00 -0.38 -0.12 0.00 -0.26 0.00 0.00 64.21 63.45 4sga n SER 207 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 4sga s THR 208 N -1.59 4.29 0.16 6.66 2.01 -0.80 -0.52 115.64 125.85 4sga s THR 208 Ca 0.30 -0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.81 4sga s THR 208 Cb 0.18 -2.97 -0.07 0.00 0.01 0.00 0.00 72.50 69.64 4sga s THR 208 CO 0.17 0.38 1.05 0.00 -0.69 0.00 0.00 174.62 175.53 4sga s ALA 209 N 1.24 3.33 0.00 7.40 0.00 0.96 -1.60 121.76 133.09 4sga s ALA 209 Ca 0.04 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.74 4sga s ALA 209 Cb -0.15 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.65 4sga s ALA 209 CO 0.03 -0.13 0.00 1.28 0.00 0.00 0.00 175.76 176.93 4sga n LEU 210 N 2.43 2.12 -3.83 0.00 4.77 -0.26 0.22 117.00 122.45 4sga n LEU 210 Ca 0.02 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.94 4sga n LEU 210 Cb 0.47 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.57 4sga n LEU 210 CO 0.53 0.35 0.62 -0.83 -1.33 0.00 0.00 177.39 176.73 4sga s GLY 211 N -3.66 0.20 -0.09 -0.72 0.00 -0.79 -1.30 107.32 100.97 4sga s GLY 211 Ca 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 44.72 44.24 4sga s GLY 211 CO 0.00 0.52 -0.22 1.08 0.00 0.00 0.00 173.10 174.48 4sga s LEU 212 N -3.14 2.00 0.17 0.66 1.43 0.09 -1.40 118.68 118.50 4sga s LEU 212 Ca 0.17 -0.50 -0.32 0.00 -1.03 0.00 0.00 54.13 52.45 4sga s LEU 212 Cb -0.04 -1.29 -0.11 0.00 0.03 0.00 0.00 46.19 44.78 4sga s LEU 212 CO 0.09 0.14 1.76 -0.89 0.23 0.00 0.00 176.35 177.68 4sga s THR 213 N 0.35 2.27 -0.10 5.49 2.01 -0.13 -0.98 115.64 124.54 4sga s THR 213 Ca -0.17 0.05 -0.11 0.00 0.31 0.00 0.00 61.69 61.78 4sga s THR 213 Cb -0.17 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 4sga s THR 213 CO 0.07 0.00 -0.22 -0.24 -0.69 0.00 0.00 174.62 173.55 4sga n SER 214 N 4.71 1.53 -0.42 3.53 2.88 -0.31 -0.22 113.62 125.32 4sga n SER 214 Ca 0.17 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 4sga n SER 214 Cb 0.37 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 4sga n SER 214 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 4sga n GLY 215 N 2.14 1.00 0.00 0.46 0.00 -1.06 -4.82 105.19 102.91 4sga n GLY 215 Ca -0.15 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.15 4sga n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4sga n GLY 216 N 0.00 -0.62 3.31 -0.02 0.00 -1.26 -0.04 105.19 106.56 4sga n GLY 216 Ca 0.00 -1.11 -0.17 0.00 0.00 0.00 0.00 46.02 44.73 4sga n GLY 216 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 4sga s SER 217 N -4.00 2.30 0.07 1.61 1.04 -0.16 -5.00 113.70 109.56 4sga s SER 217 Ca 0.00 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.43 4sga s SER 217 Cb 0.00 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.03 4sga s SER 217 CO 0.00 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.62 4sga n GLY 218 N -0.24 -0.96 3.79 7.32 0.00 -1.26 -2.39 105.19 111.46 4sga n GLY 218 Ca -0.09 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 4sga n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4sga s ASN 219 N -4.00 0.06 0.00 1.61 2.20 -0.95 -4.85 114.94 109.00 4sga s ASN 219 Ca 0.00 -1.21 0.16 0.00 -0.94 0.00 0.00 52.86 50.87 4sga s ASN 219 Cb 0.00 0.86 0.94 0.00 -2.00 0.00 0.00 41.25 41.05 4sga s ASN 219 CO 0.00 -1.71 1.59 0.00 -2.94 0.00 0.00 177.10 174.03 4sga n ARG 221 N -0.75 0.87 -0.00 0.00 -4.01 -1.26 -4.55 116.66 106.95 4sga n ARG 221 Ca 0.12 0.07 0.10 0.00 -1.04 0.00 0.00 57.85 57.09 4sga n ARG 221 Cb 0.05 -1.39 -0.13 0.00 -3.04 0.00 0.00 32.46 27.95 4sga n ARG 221 CO 0.00 0.00 0.00 0.25 -3.04 0.00 0.00 177.63 174.84 4sga n THR 222 N -2.88 0.00 0.00 8.89 -2.24 -1.20 -5.09 114.28 111.76 4sga n THR 222 Ca -0.31 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 4sga n THR 222 Cb 0.91 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 4sga n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 4sga n GLY 223 N 1.41 -0.79 0.00 3.38 0.00 0.23 -4.91 105.19 104.52 4sga n GLY 223 Ca 0.01 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 4sga n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4sga n GLY 224 N -0.80 -1.25 3.46 -0.02 0.00 -1.25 -2.25 105.19 103.07 4sga n GLY 224 Ca 0.00 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 4sga n GLY 224 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 4sga s THR 225 N -2.90 3.07 0.06 2.61 2.01 -1.01 -4.25 115.64 115.24 4sga s THR 225 Ca 0.00 -0.71 0.04 0.00 0.31 0.00 0.00 61.69 61.33 4sga s THR 225 Cb 0.00 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 4sga s THR 225 CO 0.00 0.58 -0.12 0.42 -0.69 0.00 0.00 174.62 174.81 4sga s THR 226 N -0.52 0.90 0.01 -0.82 -4.23 -0.53 -0.99 115.64 109.46 4sga s THR 226 Ca 0.07 -1.27 0.08 0.00 -1.18 0.00 0.00 61.69 59.39 4sga s THR 226 Cb -0.12 -0.95 -0.03 0.00 1.34 0.00 0.00 72.50 72.75 4sga s THR 226 CO 0.02 -0.32 -0.24 -0.36 -0.54 0.00 0.00 174.62 173.18 4sga s PHE 227 N -1.45 2.40 0.03 3.99 0.40 0.95 -0.57 117.98 123.72 4sga s PHE 227 Ca -0.04 -0.38 0.05 0.00 -0.60 0.00 0.00 56.93 55.96 4sga s PHE 227 Cb -0.09 -1.47 -0.02 0.00 0.51 0.00 0.00 43.02 41.95 4sga s PHE 227 CO 0.01 0.08 -0.14 0.71 0.70 0.00 0.00 175.22 176.58 4sga s TYR 228 N -0.73 1.24 -0.07 0.36 2.02 0.35 -1.16 117.35 119.35 4sga s TYR 228 Ca 0.11 -0.32 -0.30 0.00 -0.37 0.00 0.00 57.07 56.19 4sga s TYR 228 Cb -0.10 -0.75 -0.02 0.00 -0.40 0.00 0.00 41.96 40.69 4sga s TYR 228 CO 0.01 0.02 1.07 -1.14 -1.57 0.00 0.00 175.55 173.94 4sga s GLN 229 N -0.94 4.42 0.17 -0.62 2.00 -0.15 -0.40 119.66 124.14 4sga s GLN 229 Ca 0.03 1.49 -0.32 0.00 -2.00 0.00 0.00 55.36 54.56 4sga s GLN 229 Cb -0.07 -3.52 -0.11 0.00 0.80 0.00 0.00 33.01 30.10 4sga s GLN 229 CO 0.01 -0.31 1.75 -2.14 -0.50 0.00 0.00 175.29 174.09 4sga s PRO 230 N 1.88 4.14 0.33 1.67 0.02 -1.26 -0.73 135.00 141.05 4sga s PRO 230 Ca 0.51 2.58 0.10 0.00 0.02 0.00 0.00 61.00 64.21 4sga s PRO 230 Cb -0.21 -3.28 0.58 0.00 0.02 0.00 0.00 34.50 31.61 4sga s PRO 230 CO 0.21 -0.77 1.76 -0.24 -0.33 0.00 0.00 177.00 177.63 4sga h VAL 231 N 4.17 1.29 -0.37 3.83 3.04 -1.50 -3.09 116.25 123.63 4sga h VAL 231 Ca -0.44 -1.42 -0.01 0.00 -1.01 0.00 0.00 66.70 63.83 4sga h VAL 231 Cb 1.21 1.69 -0.02 0.00 -2.01 0.00 0.00 31.29 32.16 4sga h VAL 231 CO 0.95 0.41 0.19 0.71 -1.01 0.00 0.00 177.57 178.83 4sga h THR 232 N 0.10 1.12 -0.41 3.17 1.35 -1.82 -0.21 112.91 116.22 4sga h THR 232 Ca 0.01 -0.33 -0.14 0.00 -0.55 0.00 0.00 66.41 65.40 4sga h THR 232 Cb 0.74 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 4sga h THR 232 CO 0.06 0.14 -0.30 -0.08 -0.25 0.00 0.00 175.52 175.08 4sga h GLU 233 N 0.51 0.92 -0.42 4.72 4.81 -1.93 -1.58 114.58 121.62 4sga h GLU 233 Ca 0.13 -0.45 -0.04 0.00 -0.13 0.00 0.00 59.36 58.88 4sga h GLU 233 Cb 0.03 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 4sga h GLU 233 CO -0.02 1.10 0.11 0.00 -0.73 0.00 0.00 179.01 179.47 4sga h ALA 234 N 0.80 0.55 -0.58 2.92 0.00 -1.55 -1.30 119.26 120.09 4sga h ALA 234 Ca 0.08 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 4sga h ALA 234 Cb 0.88 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 4sga h ALA 234 CO 0.08 0.22 0.27 -0.07 0.00 0.00 0.00 179.25 179.75 4sga h LEU 235 N 0.53 0.77 -0.60 0.00 3.38 -0.88 -2.78 115.31 115.73 4sga h LEU 235 Ca 0.13 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 4sga h LEU 235 Cb 0.31 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 4sga h LEU 235 CO 0.00 0.69 -0.68 0.77 0.09 0.00 0.00 178.44 179.31 4sga h SER 235 N 0.79 0.15 -0.74 -0.43 4.64 -1.18 0.14 113.55 116.93 4sga h SER 235 Ca 0.20 -0.10 0.07 0.00 -0.47 0.00 0.00 61.79 61.49 4sga h SER 235 Cb 0.13 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.13 4sga h SER 235 CO -0.02 0.78 0.48 0.00 -0.87 0.00 0.00 176.83 177.20 4sga h ALA 236 N 1.22 1.70 -0.05 5.18 0.00 -0.97 -2.99 119.26 123.35 4sga h ALA 236 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 4sga h ALA 236 Cb 1.20 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.80 4sga h ALA 236 CO 0.10 0.18 0.00 0.66 0.00 0.00 0.00 179.25 180.19 4sga n TYR 237 N -4.48 0.05 -3.36 0.00 4.01 -1.11 -5.00 117.16 107.27 4sga n TYR 237 Ca 0.11 -0.04 -0.19 0.00 -0.16 0.00 0.00 57.90 57.62 4sga n TYR 237 Cb 0.23 -0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.33 4sga n TYR 237 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 4sga n GLY 238 N 0.72 -0.26 3.75 2.72 0.00 0.17 -4.95 105.19 107.34 4sga n GLY 238 Ca 0.08 0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 4sga n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4sga s ALA 239 N -3.27 3.43 0.00 4.61 0.00 0.23 -4.41 121.76 122.35 4sga s ALA 239 Ca 0.39 -1.42 0.04 0.00 0.00 0.00 0.00 51.96 50.98 4sga s ALA 239 Cb -0.17 -1.15 -0.01 0.00 0.00 0.00 0.00 23.12 21.78 4sga s ALA 239 CO 0.60 0.35 -0.13 0.95 0.00 0.00 0.00 175.76 177.52 4sga s THR 240 N -2.02 1.04 0.46 0.00 -4.23 -0.10 -4.65 115.64 106.14 4sga s THR 240 Ca 0.31 -0.65 -0.23 0.00 -1.18 0.00 0.00 61.69 59.94 4sga s THR 240 Cb -0.08 -0.89 -0.07 0.00 1.34 0.00 0.00 72.50 72.80 4sga s THR 240 CO 0.22 0.23 1.19 0.68 -0.54 0.00 0.00 174.62 176.41 4sga s VAL 241 N -0.42 2.98 -2.60 2.29 -7.23 -1.26 -0.02 120.40 114.13 4sga s VAL 241 Ca 0.04 0.75 0.27 0.00 -1.81 0.00 0.00 61.98 61.24 4sga s VAL 241 Cb -0.06 -3.39 0.48 0.00 0.56 0.00 0.00 36.38 33.97 4sga s VAL 241 CO -0.00 0.01 1.65 0.18 -0.31 0.00 0.00 175.10 176.63