#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hoe s PRO 45 N 0.00 1.81 0.31 3.49 0.05 -1.26 -5.04 135.00 134.35 3hoe s PRO 45 Ca 0.00 -0.95 -0.29 0.00 0.05 0.00 0.00 61.00 59.81 3hoe s PRO 45 Cb 0.00 -2.32 -0.11 0.00 0.05 0.00 0.00 34.50 32.13 3hoe s PRO 45 CO 0.00 -1.36 1.44 0.00 0.05 0.00 0.00 177.00 177.13 3hoe s ALA 46 N -3.13 3.60 0.61 8.56 0.00 -1.26 -4.86 121.76 125.28 3hoe s ALA 46 Ca 0.65 1.41 0.33 0.00 0.00 0.00 0.00 51.96 54.35 3hoe s ALA 46 Cb -0.07 -3.57 1.94 0.00 0.00 0.00 0.00 23.12 21.43 3hoe s ALA 46 CO 0.44 -0.83 2.25 -0.07 0.00 0.00 0.00 175.76 177.55 3hoe h LEU 47 N 4.12 0.00 0.00 0.00 3.38 -1.80 -3.44 115.31 117.57 3hoe h LEU 47 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3hoe h LEU 47 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3hoe h LEU 47 CO 0.72 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.86 3hoe n GLY 48 N -1.28 -1.35 3.15 0.83 0.00 -1.24 0.17 105.19 105.48 3hoe n GLY 48 Ca -0.02 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 3hoe n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hoe s TYR 49 N -2.98 0.09 -0.04 1.61 2.02 -0.55 -0.36 117.35 117.13 3hoe s TYR 49 Ca 0.00 -0.32 -0.09 0.00 -0.37 0.00 0.00 57.07 56.30 3hoe s TYR 49 Cb 0.00 -0.06 0.01 0.00 -0.40 0.00 0.00 41.96 41.51 3hoe s TYR 49 CO 0.00 -0.39 0.21 0.54 -1.57 0.00 0.00 175.55 174.34 3hoe s VAL 50 N -2.40 0.04 0.04 0.71 0.11 -0.04 -1.72 120.40 117.14 3hoe s VAL 50 Ca -0.07 -0.32 0.03 0.00 -2.93 0.00 0.00 61.98 58.70 3hoe s VAL 50 Cb -0.02 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.40 3hoe s VAL 50 CO -0.03 -0.18 -0.10 0.54 -3.33 0.00 0.00 175.10 172.00 3hoe s VAL 51 N -0.65 0.78 0.16 2.04 0.11 -0.68 -0.71 120.40 121.46 3hoe s VAL 51 Ca -0.07 -0.94 -0.24 0.00 -2.93 0.00 0.00 61.98 57.79 3hoe s VAL 51 Cb -0.04 -0.76 -0.08 0.00 -1.53 0.00 0.00 36.38 33.97 3hoe s VAL 51 CO 0.01 -0.15 0.75 -0.75 -3.33 0.00 0.00 175.10 171.63 3hoe s LYS 52 N -1.22 4.51 -0.02 1.54 2.20 -1.26 -1.98 119.74 123.51 3hoe s LYS 52 Ca -0.03 1.09 -0.30 0.00 -0.36 0.00 0.00 55.97 56.37 3hoe s LYS 52 Cb -0.08 -3.24 -0.06 0.00 -1.51 0.00 0.00 37.83 32.94 3hoe s LYS 52 CO 0.01 0.57 1.62 0.08 -0.36 0.00 0.00 175.35 177.27 3hoe s VAL 53 N -1.17 3.46 0.54 4.02 1.01 0.11 -4.85 120.40 123.53 3hoe s VAL 53 Ca 0.35 0.69 -0.22 0.00 0.00 0.00 0.00 61.98 62.81 3hoe s VAL 53 Cb -0.22 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 3hoe s VAL 53 CO 0.25 -0.04 1.32 -2.84 0.00 0.00 0.00 175.10 173.79 3hoe s PRO 54 N 3.50 3.18 -0.09 2.72 0.02 -1.26 -4.62 135.00 138.45 3hoe s PRO 54 Ca 0.72 2.14 0.01 0.00 0.02 0.00 0.00 61.00 63.90 3hoe s PRO 54 Cb -0.35 -2.24 0.02 0.00 0.02 0.00 0.00 34.50 31.95 3hoe s PRO 54 CO 0.30 -1.13 -0.11 0.08 -0.33 0.00 0.00 177.00 175.81 3hoe s VAL 55 N -1.36 1.17 0.83 3.83 1.01 -1.26 -1.45 120.40 123.17 3hoe s VAL 55 Ca 0.71 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 62.16 3hoe s VAL 55 Cb -0.38 -1.11 0.15 0.00 0.00 0.00 0.00 36.38 35.04 3hoe s VAL 55 CO 0.45 0.38 1.16 -0.94 0.00 0.00 0.00 175.10 176.14 3hoe s SER 56 N 1.14 3.86 0.12 3.32 1.04 -0.91 -4.87 113.70 117.40 3hoe s SER 56 Ca -0.05 0.10 -0.22 0.00 0.48 0.00 0.00 55.95 56.25 3hoe s SER 56 Cb -0.14 -0.37 0.06 0.00 0.10 0.00 0.00 66.02 65.67 3hoe s SER 56 CO -0.02 -2.22 0.55 -0.94 0.98 0.00 0.00 173.24 171.58 3hoe s SER 57 N -4.77 -0.49 0.50 7.02 1.04 0.69 -4.94 113.70 112.76 3hoe s SER 57 Ca 0.69 0.03 0.26 0.00 0.48 0.00 0.00 55.95 57.40 3hoe s SER 57 Cb -0.06 0.55 1.35 0.00 0.10 0.00 0.00 66.02 67.96 3hoe s SER 57 CO 0.49 -0.87 1.91 0.15 0.98 0.00 0.00 173.24 175.89 3hoe h PHE 58 N 2.29 0.16 0.35 5.02 3.57 -2.00 -0.51 116.94 125.82 3hoe h PHE 58 Ca -0.33 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.16 3hoe h PHE 58 Cb 1.27 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.96 3hoe h PHE 58 CO 0.28 0.04 -0.17 0.93 -2.23 0.00 0.00 178.31 177.17 3hoe h GLU 59 N 0.12 -0.45 -3.76 1.11 4.39 -2.03 -3.40 114.58 110.57 3hoe h GLU 59 Ca 0.40 0.03 -0.72 0.00 0.34 0.00 0.00 59.36 59.41 3hoe h GLU 59 Cb 1.39 0.10 -0.33 0.00 -0.10 0.00 0.00 28.75 29.81 3hoe h GLU 59 CO -0.05 -0.12 -0.27 -0.80 -1.16 0.00 0.00 179.01 176.60 3hoe s ASN 60 N -5.06 5.63 0.29 1.42 -0.87 -0.26 -4.96 114.94 111.14 3hoe s ASN 60 Ca -0.13 -2.69 0.16 0.00 -1.57 0.00 0.00 52.86 48.63 3hoe s ASN 60 Cb 0.02 -1.95 0.20 0.00 -0.02 0.00 0.00 41.25 39.50 3hoe s ASN 60 CO 0.47 -0.45 1.51 0.11 -2.57 0.00 0.00 177.10 176.17 3hoe h LYS 61 N 7.38 0.00 -4.85 -0.60 1.57 -1.60 0.20 116.57 118.67 3hoe h LYS 61 Ca -0.01 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.10 3hoe h LYS 61 Cb 0.99 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.93 3hoe h LYS 61 CO 0.74 0.50 -0.78 0.21 -0.57 0.00 0.00 179.45 179.54 3hoe s LYS 62 N -3.10 2.21 -0.22 3.15 2.20 -1.26 -0.02 119.74 122.71 3hoe s LYS 62 Ca 0.03 -1.38 0.02 0.00 -0.36 0.00 0.00 55.97 54.28 3hoe s LYS 62 Cb 0.08 -2.94 0.04 0.00 -1.51 0.00 0.00 37.83 33.51 3hoe s LYS 62 CO 0.73 -0.60 -0.14 0.08 -0.36 0.00 0.00 175.35 175.07 3hoe s VAL 63 N 1.10 2.00 0.60 4.02 1.01 -0.22 -5.03 120.40 123.88 3hoe s VAL 63 Ca -0.07 -1.24 -0.04 0.00 0.00 0.00 0.00 61.98 60.62 3hoe s VAL 63 Cb -0.20 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.21 3hoe s VAL 63 CO -0.05 0.21 0.88 -1.81 0.00 0.00 0.00 175.10 174.34 3hoe s ASP 64 N 1.24 5.34 0.33 3.32 1.01 -1.26 -1.53 116.67 125.11 3hoe s ASP 64 Ca -0.02 0.46 -0.29 0.00 0.71 0.00 0.00 52.55 53.40 3hoe s ASP 64 Cb -0.17 -1.36 -0.12 0.00 1.01 0.00 0.00 42.92 42.29 3hoe s ASP 64 CO -0.09 -1.19 1.51 -0.38 0.21 0.00 0.00 175.17 175.23 3hoe n ILE 65 N -2.58 1.51 -3.68 0.77 2.08 -0.68 -4.89 119.36 111.89 3hoe n ILE 65 Ca 0.06 -0.38 -0.05 0.00 0.56 0.00 0.00 62.75 62.94 3hoe n ILE 65 Cb 0.59 -1.89 -0.01 0.00 -0.75 0.00 0.00 39.64 37.57 3hoe n ILE 65 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3hoe s SER 66 N 0.14 -0.22 -1.06 4.38 1.04 -1.26 -4.95 113.70 111.78 3hoe s SER 66 Ca 0.59 -0.28 -0.06 0.00 0.48 0.00 0.00 55.95 56.67 3hoe s SER 66 Cb -0.51 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.06 3hoe s SER 66 CO 0.56 -0.80 0.92 0.47 0.98 0.00 0.00 173.24 175.38 3hoe n ASP 67 N -0.41 -5.15 -4.66 7.02 8.00 -1.26 -4.64 116.55 115.44 3hoe n ASP 67 Ca -0.07 -0.43 -0.46 0.00 0.71 0.00 0.00 54.79 54.54 3hoe n ASP 67 Cb 0.61 -4.07 -0.04 0.00 -0.02 0.00 0.00 41.12 37.60 3hoe n ASP 67 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3hoe n ILE 68 N -4.38 0.64 -3.94 0.53 5.41 -1.26 -4.74 119.36 111.61 3hoe n ILE 68 Ca -0.01 -0.14 -0.31 0.00 1.00 0.00 0.00 62.75 63.28 3hoe n ILE 68 Cb 0.55 -2.07 -0.04 0.00 -0.71 0.00 0.00 39.64 37.37 3hoe n ILE 68 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3hoe s GLU 69 N 4.41 3.36 -0.09 0.38 2.02 0.11 -4.95 118.70 123.95 3hoe s GLU 69 Ca 0.92 -0.46 -0.18 0.00 0.02 0.00 0.00 54.97 55.27 3hoe s GLU 69 Cb -0.58 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 30.60 3hoe s GLU 69 CO 0.47 0.61 0.49 0.54 0.02 0.00 0.00 175.26 177.40 3hoe s VAL 70 N -1.47 5.13 0.18 2.63 0.11 -1.26 -0.86 120.40 124.86 3hoe s VAL 70 Ca 0.33 1.00 -0.30 0.00 -2.93 0.00 0.00 61.98 60.08 3hoe s VAL 70 Cb -0.13 -3.83 -0.07 0.00 -1.53 0.00 0.00 36.38 30.82 3hoe s VAL 70 CO 0.26 0.36 0.99 -0.63 -3.33 0.00 0.00 175.10 172.74 3hoe s ILE 71 N 0.38 4.17 -0.00 7.04 1.01 0.51 -4.92 121.20 129.39 3hoe s ILE 71 Ca 0.27 1.96 -0.00 0.00 0.00 0.00 0.00 60.65 62.87 3hoe s ILE 71 Cb -0.16 -4.25 -0.00 0.00 0.01 0.00 0.00 42.46 38.06 3hoe s ILE 71 CO 0.12 0.37 -0.01 0.35 0.00 0.00 0.00 174.94 175.77 3hoe n THR 72 N 2.17 0.05 -1.68 2.92 -2.24 -1.26 -3.65 114.28 110.58 3hoe n THR 72 Ca 0.01 0.49 -0.61 0.00 -2.27 0.00 0.00 64.05 61.67 3hoe n THR 72 Cb 0.48 -1.53 -0.08 0.00 -2.10 0.00 0.00 70.33 67.09 3hoe n THR 72 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hoe n ASN 73 N -2.38 1.90 -1.45 3.42 2.85 -1.26 -4.75 115.26 113.59 3hoe n ASN 73 Ca -0.00 1.05 0.08 0.00 -0.11 0.00 0.00 54.58 55.60 3hoe n ASN 73 Cb 0.01 -1.05 0.34 0.00 1.24 0.00 0.00 39.78 40.32 3hoe n ASN 73 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3hoe n GLY 74 N 4.48 3.13 3.70 8.20 0.00 -1.26 -4.95 105.19 118.50 3hoe n GLY 74 Ca 0.31 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 3hoe n GLY 74 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hoe s ASN 75 N -1.12 6.95 0.07 1.61 2.47 -1.26 -4.76 114.94 118.90 3hoe s ASN 75 Ca 0.48 1.15 0.22 0.00 0.42 0.00 0.00 52.86 55.13 3hoe s ASN 75 Cb 0.34 -2.41 0.88 0.00 -1.45 0.00 0.00 41.25 38.61 3hoe s ASN 75 CO 0.18 -0.19 1.68 0.18 -3.72 0.00 0.00 177.10 175.22 3hoe n LEU 76 N 4.22 0.23 -0.50 3.21 4.77 -1.26 -1.79 117.00 125.87 3hoe n LEU 76 Ca -0.00 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.64 3hoe n LEU 76 Cb 0.51 -0.49 0.16 0.00 -2.33 0.00 0.00 43.42 41.26 3hoe n LEU 76 CO 0.47 -0.23 0.49 0.47 -1.33 0.00 0.00 177.39 177.26 3hoe n ASP 77 N -1.74 1.87 -4.38 -1.43 8.00 -1.26 -4.78 116.55 112.83 3hoe n ASP 77 Ca 0.04 -1.43 -0.39 0.00 0.71 0.00 0.00 54.79 53.73 3hoe n ASP 77 Cb 0.26 0.27 -0.12 0.00 -0.02 0.00 0.00 41.12 41.52 3hoe n ASP 77 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3hoe s ASP 78 N -2.37 5.52 -0.12 -2.24 1.01 -0.74 -5.08 116.67 112.65 3hoe s ASP 78 Ca 0.23 -0.78 -0.13 0.00 0.71 0.00 0.00 52.55 52.59 3hoe s ASP 78 Cb 0.19 -1.98 -0.05 0.00 1.01 0.00 0.00 42.92 42.10 3hoe s ASP 78 CO 0.50 -0.27 0.29 -0.69 0.21 0.00 0.00 175.17 175.20 3hoe s VAL 79 N 1.55 5.29 0.20 -1.27 1.01 -1.26 -4.79 120.40 121.13 3hoe s VAL 79 Ca 0.03 0.54 -0.32 0.00 0.00 0.00 0.00 61.98 62.22 3hoe s VAL 79 Cb -0.18 -3.61 -0.14 0.00 0.00 0.00 0.00 36.38 32.45 3hoe s VAL 79 CO 0.05 0.46 1.44 -2.65 0.00 0.00 0.00 175.10 174.41 3hoe n PRO 80 N 2.99 1.96 -2.02 2.72 -0.02 -1.26 -2.51 135.00 136.85 3hoe n PRO 80 Ca -0.14 0.70 -0.18 0.00 -2.02 0.00 0.00 63.50 61.86 3hoe n PRO 80 Cb 0.52 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.59 3hoe n PRO 80 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hoe n TYR 81 N 2.37 -0.52 -0.25 6.00 4.01 -1.26 -4.87 117.16 122.64 3hoe n TYR 81 Ca 0.14 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.94 3hoe n TYR 81 Cb 0.29 -3.37 0.19 0.00 -0.31 0.00 0.00 39.34 36.14 3hoe n TYR 81 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3hoe h LYS 82 N 0.00 0.34 -0.42 -0.72 1.63 -1.92 -1.37 116.57 114.11 3hoe h LYS 82 Ca -0.40 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.36 3hoe h LYS 82 Cb 1.26 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.79 3hoe h LYS 82 CO 0.52 0.22 0.21 0.00 -3.45 0.00 0.00 179.45 176.95 3hoe h ALA 83 N 1.59 1.59 0.00 5.00 0.00 -1.89 -0.82 119.26 124.73 3hoe h ALA 83 Ca 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3hoe h ALA 83 Cb 0.69 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hoe h ALA 83 CO -0.46 0.34 0.00 0.09 0.00 0.00 0.00 179.25 179.21 3hoe n ASN 84 N -4.42 0.48 0.00 0.00 4.13 -0.52 -2.97 115.26 111.96 3hoe n ASN 84 Ca 0.03 0.64 0.12 0.00 1.68 0.00 0.00 54.58 57.05 3hoe n ASN 84 Cb 0.11 -0.73 0.21 0.00 -1.54 0.00 0.00 39.78 37.83 3hoe n ASN 84 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3hoe n SER 85 N -2.05 0.55 0.24 6.41 3.41 -0.31 -3.94 113.62 117.93 3hoe n SER 85 Ca 0.02 -0.30 0.16 0.00 -0.26 0.00 0.00 58.87 58.49 3hoe n SER 85 Cb 0.17 0.32 0.63 0.00 -0.26 0.00 0.00 64.21 65.06 3hoe n SER 85 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3hoe h SER 86 N 0.00 0.00 0.54 4.04 4.64 -1.61 -1.65 113.55 119.50 3hoe h SER 86 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hoe h SER 86 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3hoe h SER 86 CO 0.00 0.00 -0.21 2.29 -0.87 0.00 0.00 176.83 178.04 3hoe n LYS 87 N -2.90 0.34 -2.20 4.77 2.85 -1.25 -4.93 118.16 114.84 3hoe n LYS 87 Ca 0.01 -0.14 -0.36 0.00 -1.05 0.00 0.00 58.31 56.78 3hoe n LYS 87 Cb 0.30 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.19 3hoe n LYS 87 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3hoe s TYR 88 N -2.75 2.65 0.10 5.58 2.02 -0.62 -4.94 117.35 119.39 3hoe s TYR 88 Ca 0.20 1.53 -0.21 0.00 -0.37 0.00 0.00 57.07 58.22 3hoe s TYR 88 Cb 0.19 -3.37 -0.10 0.00 -0.40 0.00 0.00 41.96 38.28 3hoe s TYR 88 CO 0.56 -1.73 1.70 -0.91 -1.57 0.00 0.00 175.55 173.60 3hoe h ASN 89 N 1.36 0.18 -2.83 2.29 -0.26 -1.89 -3.38 115.58 111.04 3hoe h ASN 89 Ca -0.50 -0.07 -0.59 0.00 -0.56 0.00 0.00 56.30 54.58 3hoe h ASN 89 Cb 1.27 -0.05 -0.39 0.00 -1.06 0.00 0.00 38.32 38.09 3hoe h ASN 89 CO 0.57 0.20 -0.82 -0.47 -1.06 0.00 0.00 177.43 175.86 3hoe s TYR 90 N -5.91 1.04 -0.12 1.19 5.04 -1.26 -4.94 117.35 112.39 3hoe s TYR 90 Ca -0.13 -1.81 -0.30 0.00 -2.44 0.00 0.00 57.07 52.39 3hoe s TYR 90 Cb 0.07 -1.17 -0.08 0.00 0.35 0.00 0.00 41.96 41.14 3hoe s TYR 90 CO 0.69 -0.82 2.09 -2.30 -1.34 0.00 0.00 175.55 173.87 3hoe n PRO 91 N 3.95 2.26 -3.88 4.97 -0.02 -1.26 0.67 135.00 141.68 3hoe n PRO 91 Ca 0.11 0.74 -0.35 0.00 -2.02 0.00 0.00 63.50 61.97 3hoe n PRO 91 Cb 0.36 -3.03 -0.13 0.00 -0.02 0.00 0.00 33.50 30.68 3hoe n PRO 91 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3hoe s ASP 92 N 6.35 4.96 -0.23 2.55 2.15 0.13 -4.85 116.67 127.73 3hoe s ASP 92 Ca 0.96 -1.40 -0.01 0.00 0.43 0.00 0.00 52.55 52.54 3hoe s ASP 92 Cb -0.45 -1.74 0.03 0.00 -0.30 0.00 0.00 42.92 40.46 3hoe s ASP 92 CO 0.41 -0.31 -0.09 -0.63 -0.17 0.00 0.00 175.17 174.37 3hoe s ILE 93 N 1.23 2.64 0.31 4.11 1.01 -1.26 -0.54 121.20 128.71 3hoe s ILE 93 Ca -0.03 -1.06 -0.29 0.00 0.00 0.00 0.00 60.65 59.27 3hoe s ILE 93 Cb -0.20 -2.32 -0.13 0.00 0.01 0.00 0.00 42.46 39.82 3hoe s ILE 93 CO -0.01 0.25 1.33 1.17 0.00 0.00 0.00 174.94 177.68 3hoe n LYS 94 N 4.63 2.13 -2.19 2.79 4.81 -0.78 -4.87 118.16 124.67 3hoe n LYS 94 Ca -0.17 0.75 -0.38 0.00 -0.87 0.00 0.00 58.31 57.64 3hoe n LYS 94 Cb 0.47 -2.36 -0.01 0.00 0.02 0.00 0.00 35.03 33.16 3hoe n LYS 94 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 3hoe s THR 95 N -0.77 2.95 0.09 3.15 -1.32 -1.26 -4.84 115.64 113.64 3hoe s THR 95 Ca 0.59 0.74 -0.31 0.00 -1.21 0.00 0.00 61.69 61.51 3hoe s THR 95 Cb -0.59 -3.39 -0.07 0.00 -1.51 0.00 0.00 72.50 66.94 3hoe s THR 95 CO 0.58 0.02 1.42 -0.75 -2.21 0.00 0.00 174.62 173.68 3hoe s LYS 96 N -2.58 4.30 -0.56 7.08 2.20 -1.26 -4.99 119.74 123.93 3hoe s LYS 96 Ca 0.62 2.08 -0.26 0.00 -0.36 0.00 0.00 55.97 58.05 3hoe s LYS 96 Cb -0.31 -3.35 0.04 0.00 -1.51 0.00 0.00 37.83 32.70 3hoe s LYS 96 CO 0.38 -0.50 1.03 0.34 -0.36 0.00 0.00 175.35 176.25 3hoe s ASP 97 N 1.39 6.39 0.20 1.43 -1.08 -1.26 -4.92 116.67 118.81 3hoe s ASP 97 Ca 0.65 -0.16 0.22 0.00 -0.52 0.00 0.00 52.55 52.74 3hoe s ASP 97 Cb -0.36 -2.48 0.91 0.00 -1.46 0.00 0.00 42.92 39.53 3hoe s ASP 97 CO 0.30 -1.31 1.67 -1.20 0.52 0.00 0.00 175.17 175.15 3hoe n SER 98 N 7.81 0.54 0.00 -0.34 7.64 -1.26 -1.68 113.62 126.33 3hoe n SER 98 Ca 0.04 0.63 0.14 0.00 1.01 0.00 0.00 58.87 60.69 3hoe n SER 98 Cb 0.48 -0.74 0.79 0.00 -1.01 0.00 0.00 64.21 63.73 3hoe n SER 98 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3hoe n SER 99 N -2.09 0.00 -4.66 6.43 3.41 -1.26 -4.70 113.62 110.75 3hoe n SER 99 Ca 0.03 -0.69 -0.36 0.00 -0.26 0.00 0.00 58.87 57.58 3hoe n SER 99 Cb 0.23 -0.07 -0.09 0.00 -0.26 0.00 0.00 64.21 64.02 3hoe n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hoe s LEU 100 N -2.13 4.09 -0.09 1.04 1.43 -0.68 -4.99 118.68 117.36 3hoe s LEU 100 Ca 0.38 0.11 0.19 0.00 -1.03 0.00 0.00 54.13 53.78 3hoe s LEU 100 Cb 0.19 -2.09 -0.29 0.00 0.03 0.00 0.00 46.19 44.02 3hoe s LEU 100 CO 0.34 0.07 0.31 0.00 0.23 0.00 0.00 176.35 177.30 3hoe n GLN 101 N 4.23 0.72 0.00 1.70 6.02 -1.26 -4.71 117.38 124.07 3hoe n GLN 101 Ca -0.15 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.72 3hoe n GLN 101 Cb 0.52 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.29 3hoe n GLN 101 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3hoe n TYR 102 N -2.41 0.00 -4.31 1.08 4.01 -1.26 -5.01 117.16 109.26 3hoe n TYR 102 Ca -0.14 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.37 3hoe n TYR 102 Cb 0.77 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.68 3hoe n TYR 102 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3hoe s VAL 103 N -1.80 1.76 -0.17 -0.72 -7.23 -1.26 -1.36 120.40 109.63 3hoe s VAL 103 Ca 0.00 -1.78 -0.09 0.00 -1.81 0.00 0.00 61.98 58.30 3hoe s VAL 103 Cb 0.00 -1.73 0.06 0.00 0.56 0.00 0.00 36.38 35.27 3hoe s VAL 103 CO 0.00 -0.23 0.41 -0.60 -0.31 0.00 0.00 175.10 174.37 3hoe s ARG 104 N -2.47 0.39 0.13 4.82 3.52 0.22 -4.86 118.95 120.70 3hoe s ARG 104 Ca 0.12 0.77 0.04 0.00 -0.13 0.00 0.00 55.73 56.53 3hoe s ARG 104 Cb -0.07 -0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 33.27 3hoe s ARG 104 CO 0.06 -0.15 -0.10 -1.54 -0.81 0.00 0.00 175.30 172.76 3hoe s SER 105 N 1.32 1.67 0.00 -2.12 1.04 -1.26 0.23 113.70 114.57 3hoe s SER 105 Ca -0.09 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.37 3hoe s SER 105 Cb -0.08 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.04 3hoe s SER 105 CO -0.12 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.38 3hoe n GLY 106 N -0.04 -0.38 3.34 7.32 0.00 -0.63 -4.99 105.19 109.81 3hoe n GLY 106 Ca -0.12 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 3hoe n GLY 106 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hoe s TYR 107 N -4.00 -0.02 -0.22 1.61 -0.85 -1.26 -1.52 117.35 111.09 3hoe s TYR 107 Ca 0.00 -0.34 -0.02 0.00 -0.52 0.00 0.00 57.07 56.20 3hoe s TYR 107 Cb 0.00 0.17 0.06 0.00 0.38 0.00 0.00 41.96 42.58 3hoe s TYR 107 CO 0.00 -0.72 0.02 0.08 -1.52 0.00 0.00 175.55 173.41 3hoe s VAL 108 N -3.86 0.83 0.19 -3.49 1.01 0.36 -1.87 120.40 113.56 3hoe s VAL 108 Ca 0.07 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 3hoe s VAL 108 Cb 0.02 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3hoe s VAL 108 CO -0.08 -0.23 0.13 0.27 0.00 0.00 0.00 175.10 175.19 3hoe s ILE 109 N 1.71 0.02 -0.32 2.22 -4.36 0.30 0.55 121.20 121.32 3hoe s ILE 109 Ca -0.01 -1.94 -0.19 0.00 -0.26 0.00 0.00 60.65 58.25 3hoe s ILE 109 Cb -0.18 -2.38 -0.01 0.00 1.25 0.00 0.00 42.46 41.15 3hoe s ILE 109 CO -0.09 -0.11 0.55 -0.62 0.24 0.00 0.00 174.94 174.91 3hoe s ASP 110 N -3.13 6.39 0.00 4.36 -1.08 0.25 0.21 116.67 123.67 3hoe s ASP 110 Ca 0.35 0.19 0.25 0.00 -0.52 0.00 0.00 52.55 52.82 3hoe s ASP 110 Cb 0.07 -2.29 1.26 0.00 -1.46 0.00 0.00 42.92 40.50 3hoe s ASP 110 CO 0.09 -0.45 1.83 0.61 0.52 0.00 0.00 175.17 177.77 3hoe n GLY 111 N 4.63 -1.10 2.56 2.66 0.00 0.21 -3.01 105.19 111.14 3hoe n GLY 111 Ca -0.03 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 3hoe n GLY 111 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hoe n GLU 112 N -1.28 2.12 -1.26 1.61 1.02 -1.26 -4.93 120.64 116.66 3hoe n GLU 112 Ca 0.12 -4.02 -0.35 0.00 -0.02 0.00 0.00 57.16 52.90 3hoe n GLU 112 Cb 0.20 -1.89 0.11 0.00 -0.02 0.00 0.00 31.44 29.84 3hoe n GLU 112 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 3hoe n HIS 113 N -0.07 1.23 -3.74 -0.32 -0.00 -1.17 -4.64 115.22 106.51 3hoe n HIS 113 Ca 0.26 0.40 -0.12 0.00 -0.00 0.00 0.00 57.72 58.27 3hoe n HIS 113 Cb 0.60 -2.13 -0.12 0.00 -0.00 0.00 0.00 29.99 28.35 3hoe n HIS 113 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3hoe s SER 114 N -1.88 -0.32 1.99 0.26 0.15 -1.26 -5.03 113.70 107.60 3hoe s SER 114 Ca 0.75 0.61 0.00 0.00 0.70 0.00 0.00 55.95 58.01 3hoe s SER 114 Cb -0.32 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 3hoe s SER 114 CO 0.49 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.40 3hoe n GLY 115 N 3.67 2.36 0.83 9.45 0.00 -1.26 -2.01 105.19 118.23 3hoe n GLY 115 Ca -0.20 0.33 0.07 0.00 0.00 0.00 0.00 46.02 46.22 3hoe n GLY 115 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hoe n SER 116 N 10.93 3.26 -4.59 1.61 3.41 -1.26 -4.86 113.62 122.12 3hoe n SER 116 Ca 0.00 -2.08 -0.33 0.00 -0.26 0.00 0.00 58.87 56.19 3hoe n SER 116 Cb 0.00 -0.31 0.12 0.00 -0.26 0.00 0.00 64.21 63.76 3hoe n SER 116 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hoe n ASN 117 N 0.69 -0.13 -4.72 4.04 4.13 -0.85 -4.99 115.26 113.42 3hoe n ASN 117 Ca 0.15 0.50 -0.36 0.00 1.68 0.00 0.00 54.58 56.55 3hoe n ASN 117 Cb 0.51 -1.39 0.08 0.00 -1.54 0.00 0.00 39.78 37.44 3hoe n ASN 117 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3hoe s GLU 118 N -3.87 2.35 -0.26 3.52 2.02 -1.26 -4.90 118.70 116.30 3hoe s GLU 118 Ca 0.67 2.00 -0.07 0.00 0.02 0.00 0.00 54.97 57.60 3hoe s GLU 118 Cb -0.27 -1.83 -0.13 0.00 0.10 0.00 0.00 34.13 31.99 3hoe s GLU 118 CO 0.57 -1.73 -0.29 1.17 0.02 0.00 0.00 175.26 175.00 3hoe n LYS 119 N -2.21 0.58 0.00 1.61 3.00 -1.26 -4.82 118.16 115.07 3hoe n LYS 119 Ca 0.15 0.20 0.00 0.00 -0.00 0.00 0.00 58.31 58.67 3hoe n LYS 119 Cb 0.49 -1.46 0.00 0.00 0.00 0.00 0.00 35.03 34.05 3hoe n LYS 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hoe n GLY 120 N 1.76 0.21 3.11 3.14 0.00 -1.26 -0.58 105.19 111.57 3hoe n GLY 120 Ca -0.49 -1.19 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 3hoe n GLY 120 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hoe s TYR 121 N -4.00 0.15 -0.05 1.61 2.02 0.19 -0.71 117.35 116.56 3hoe s TYR 121 Ca 0.00 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.32 3hoe s TYR 121 Cb 0.00 -0.11 0.02 0.00 -0.40 0.00 0.00 41.96 41.46 3hoe s TYR 121 CO 0.00 -0.34 -0.08 0.08 -1.57 0.00 0.00 175.55 173.64 3hoe s VAL 122 N -2.26 0.80 0.21 0.71 1.01 -0.84 -0.49 120.40 119.55 3hoe s VAL 122 Ca -0.08 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 3hoe s VAL 122 Cb -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.58 3hoe s VAL 122 CO -0.03 0.28 0.42 -0.72 0.00 0.00 0.00 175.10 175.06 3hoe s TYR 123 N 0.76 0.28 0.08 5.22 -0.85 -0.58 -1.68 117.35 120.58 3hoe s TYR 123 Ca -0.13 -0.64 -0.01 0.00 -0.52 0.00 0.00 57.07 55.77 3hoe s TYR 123 Cb -0.15 0.15 -0.04 0.00 0.38 0.00 0.00 41.96 42.30 3hoe s TYR 123 CO 0.02 -0.89 0.01 1.52 -1.52 0.00 0.00 175.55 174.69 3hoe s TYR 124 N -3.97 0.61 0.01 -3.49 -0.85 -0.70 -1.60 117.35 107.36 3hoe s TYR 124 Ca 0.18 -1.10 -0.13 0.00 -0.52 0.00 0.00 57.07 55.50 3hoe s TYR 124 Cb 0.01 -0.40 0.02 0.00 0.38 0.00 0.00 41.96 41.96 3hoe s TYR 124 CO 0.04 -0.43 0.28 -1.59 -1.52 0.00 0.00 175.55 172.32 3hoe s LYS 125 N -3.96 0.70 -0.16 -3.49 -2.85 0.14 -1.48 119.74 108.63 3hoe s LYS 125 Ca 0.12 -0.36 -0.15 0.00 -1.00 0.00 0.00 55.97 54.59 3hoe s LYS 125 Cb 0.08 0.30 0.04 0.00 -2.06 0.00 0.00 37.83 36.19 3hoe s LYS 125 CO -0.06 -0.20 0.42 0.20 0.10 0.00 0.00 175.35 175.81 3hoe s GLY 126 N -1.65 -0.31 0.31 0.59 0.00 0.13 -0.61 107.32 105.77 3hoe s GLY 126 Ca -0.10 1.18 0.03 0.00 0.00 0.00 0.00 44.72 45.83 3hoe s GLY 126 CO 0.01 1.01 0.07 0.54 0.00 0.00 0.00 173.10 174.73 3hoe s ASN 127 N 0.21 2.06 -0.81 1.64 2.20 -0.46 -4.55 114.94 115.23 3hoe s ASN 127 Ca -0.00 -1.38 -0.04 0.00 -0.94 0.00 0.00 52.86 50.50 3hoe s ASN 127 Cb -0.03 -0.02 -0.05 0.00 -2.00 0.00 0.00 41.25 39.15 3hoe s ASN 127 CO 0.01 -0.64 0.71 -0.24 -2.94 0.00 0.00 177.10 174.00 3hoe n SER 128 N -0.63 -5.85 -4.65 3.54 2.88 -1.26 -3.94 113.62 103.71 3hoe n SER 128 Ca -0.02 -0.50 -0.44 0.00 -1.33 0.00 0.00 58.87 56.59 3hoe n SER 128 Cb 0.66 -4.30 -0.01 0.00 -0.75 0.00 0.00 64.21 59.81 3hoe n SER 128 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3hoe n PRO 129 N -2.71 1.83 -1.70 -1.46 -0.02 -1.26 0.08 135.00 129.76 3hoe n PRO 129 Ca -0.05 0.64 -0.44 0.00 -2.02 0.00 0.00 63.50 61.63 3hoe n PRO 129 Cb 0.58 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 3hoe n PRO 129 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hoe n ALA 130 N 0.48 1.82 0.03 3.55 0.00 -0.54 -4.71 120.51 121.13 3hoe n ALA 130 Ca 0.07 0.41 0.01 0.00 0.00 0.00 0.00 53.44 53.94 3hoe n ALA 130 Cb 0.34 -2.38 -0.09 0.00 0.00 0.00 0.00 19.45 17.32 3hoe n ALA 130 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hoe n LYS 131 N 2.81 0.63 -3.81 0.00 5.02 -0.50 -4.76 118.16 117.53 3hoe n LYS 131 Ca 0.13 0.16 -0.12 0.00 -2.02 0.00 0.00 58.31 56.46 3hoe n LYS 131 Cb 0.32 -1.77 -0.10 0.00 -0.02 0.00 0.00 35.03 33.47 3hoe n LYS 131 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3hoe s GLU 132 N -2.98 0.46 0.15 1.97 -1.05 -1.07 -5.08 118.70 111.09 3hoe s GLU 132 Ca -0.04 -0.08 0.08 0.00 -0.15 0.00 0.00 54.97 54.79 3hoe s GLU 132 Cb 0.09 0.20 -0.04 0.00 -0.44 0.00 0.00 34.13 33.94 3hoe s GLU 132 CO 0.82 -0.10 -0.06 -0.51 0.95 0.00 0.00 175.26 176.35 3hoe s LEU 133 N -0.82 3.13 -0.21 1.83 1.43 -1.26 -4.02 118.68 118.77 3hoe s LEU 133 Ca -0.09 -0.44 -0.32 0.00 -1.03 0.00 0.00 54.13 52.26 3hoe s LEU 133 Cb -0.05 -1.84 -0.09 0.00 0.03 0.00 0.00 46.19 44.24 3hoe s LEU 133 CO 0.02 0.12 2.12 -2.65 0.23 0.00 0.00 176.35 176.20 3hoe n PRO 134 N 0.21 1.84 -2.14 1.29 -0.02 -1.26 -4.93 135.00 129.99 3hoe n PRO 134 Ca -0.11 0.57 -0.40 0.00 -2.02 0.00 0.00 63.50 61.53 3hoe n PRO 134 Cb 0.54 -2.88 -0.02 0.00 -0.02 0.00 0.00 33.50 31.12 3hoe n PRO 134 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hoe s VAL 135 N 6.83 2.78 -1.65 -1.45 1.01 -1.26 -3.67 120.40 123.00 3hoe s VAL 135 Ca 1.01 0.75 -0.11 0.00 0.00 0.00 0.00 61.98 63.62 3hoe s VAL 135 Cb -0.56 -3.46 0.11 0.00 0.00 0.00 0.00 36.38 32.46 3hoe s VAL 135 CO 0.43 0.15 0.28 0.59 0.00 0.00 0.00 175.10 176.56 3hoe n ASN 136 N 0.58 -0.39 -4.24 3.32 4.13 -1.26 -4.93 115.26 112.47 3hoe n ASN 136 Ca 0.01 -1.21 -0.22 0.00 1.68 0.00 0.00 54.58 54.84 3hoe n ASN 136 Cb 0.43 -1.53 -0.12 0.00 -1.54 0.00 0.00 39.78 37.01 3hoe n ASN 136 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 3hoe s GLN 137 N -7.11 1.05 -0.31 3.52 0.74 -1.24 -4.90 119.66 111.41 3hoe s GLN 137 Ca 0.39 -1.07 -0.05 0.00 0.05 0.00 0.00 55.36 54.69 3hoe s GLN 137 Cb -0.23 -1.22 0.03 0.00 1.10 0.00 0.00 33.01 32.69 3hoe s GLN 137 CO 0.97 0.28 0.06 -1.17 -0.55 0.00 0.00 175.29 174.89 3hoe s LEU 138 N -1.77 3.95 0.08 3.68 2.96 -1.26 -2.64 118.68 123.69 3hoe s LEU 138 Ca 0.04 -0.99 0.10 0.00 -0.22 0.00 0.00 54.13 53.06 3hoe s LEU 138 Cb -0.10 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 3hoe s LEU 138 CO 0.03 -0.25 -0.26 -0.76 -1.32 0.00 0.00 176.35 173.79 3hoe s LEU 139 N 1.40 2.23 -0.18 -0.68 1.43 -0.22 -4.98 118.68 117.68 3hoe s LEU 139 Ca -0.01 -0.66 -0.03 0.00 -1.03 0.00 0.00 54.13 52.40 3hoe s LEU 139 Cb -0.18 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 3hoe s LEU 139 CO 0.01 0.21 -0.05 -0.89 0.23 0.00 0.00 176.35 175.87 3hoe s THR 140 N -0.92 3.54 -0.16 5.49 2.01 -1.26 -0.12 115.64 124.21 3hoe s THR 140 Ca 0.12 -0.46 -0.03 0.00 0.31 0.00 0.00 61.69 61.63 3hoe s THR 140 Cb -0.10 -2.57 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 3hoe s THR 140 CO 0.04 0.46 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.06 3hoe s TYR 141 N 0.91 2.97 -0.04 4.92 2.02 0.15 -0.17 117.35 128.11 3hoe s TYR 141 Ca -0.01 -0.49 0.04 0.00 -0.37 0.00 0.00 57.07 56.24 3hoe s TYR 141 Cb -0.15 -1.97 0.00 0.00 -0.40 0.00 0.00 41.96 39.44 3hoe s TYR 141 CO 0.01 -0.17 -0.15 0.99 -1.57 0.00 0.00 175.55 174.66 3hoe s THR 142 N 0.60 1.26 0.00 -0.71 2.01 -0.46 0.08 115.64 118.42 3hoe s THR 142 Ca -0.04 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.35 3hoe s THR 142 Cb -0.15 -1.10 0.00 0.00 0.01 0.00 0.00 72.50 71.27 3hoe s THR 142 CO 0.03 0.37 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 3hoe n GLY 143 N 3.26 1.95 3.56 4.40 0.00 0.20 -1.96 105.19 116.59 3hoe n GLY 143 Ca -0.19 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 3hoe n GLY 143 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hoe s SER 144 N 2.00 3.05 0.12 1.61 1.04 -0.96 -0.35 113.70 120.21 3hoe s SER 144 Ca 0.00 -1.70 -0.07 0.00 0.48 0.00 0.00 55.95 54.66 3hoe s SER 144 Cb 0.00 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.67 3hoe s SER 144 CO 0.00 -0.95 0.20 -1.66 0.98 0.00 0.00 173.24 171.81 3hoe s TRP 145 N -3.14 0.38 0.14 5.02 1.48 -0.89 -2.22 118.94 119.70 3hoe s TRP 145 Ca 0.20 -0.78 -0.07 0.00 -1.06 0.00 0.00 56.10 54.39 3hoe s TRP 145 Cb 0.02 -0.14 -0.01 0.00 -1.16 0.00 0.00 33.47 32.18 3hoe s TRP 145 CO 0.13 -0.61 0.21 -0.51 -4.06 0.00 0.00 176.95 172.11 3hoe s ASP 146 N -2.94 0.12 0.17 -2.66 1.01 -0.18 -4.70 116.67 107.49 3hoe s ASP 146 Ca 0.13 -0.90 -0.24 0.00 0.71 0.00 0.00 52.55 52.26 3hoe s ASP 146 Cb 0.05 0.38 0.06 0.00 1.01 0.00 0.00 42.92 44.42 3hoe s ASP 146 CO -0.04 -0.82 0.75 0.72 0.21 0.00 0.00 175.17 175.98 3hoe s PHE 147 N -3.96 -0.33 -0.03 4.23 -0.12 -1.26 -0.92 117.98 115.59 3hoe s PHE 147 Ca 0.16 0.04 0.02 0.00 -0.05 0.00 0.00 56.93 57.10 3hoe s PHE 147 Cb 0.05 0.62 0.01 0.00 -0.63 0.00 0.00 43.02 43.06 3hoe s PHE 147 CO -0.02 -0.92 -0.10 -0.08 -0.05 0.00 0.00 175.22 174.05 3hoe s THR 148 N -3.62 0.84 0.88 -4.49 -1.32 -0.77 -1.42 115.64 105.73 3hoe s THR 148 Ca 0.07 -0.38 -0.11 0.00 -1.21 0.00 0.00 61.69 60.06 3hoe s THR 148 Cb -0.03 -0.75 0.20 0.00 -1.51 0.00 0.00 72.50 70.41 3hoe s THR 148 CO -0.03 0.26 1.20 -1.54 -2.21 0.00 0.00 174.62 172.30 3hoe n SER 149 N 3.38 0.46 -4.31 8.08 3.41 -0.18 -0.98 113.62 123.48 3hoe n SER 149 Ca -0.19 -1.66 -0.29 0.00 -0.26 0.00 0.00 58.87 56.47 3hoe n SER 149 Cb 0.54 -0.88 0.16 0.00 -0.26 0.00 0.00 64.21 63.77 3hoe n SER 149 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hoe s ASN 150 N -5.50 3.48 -0.24 4.04 4.22 -0.71 -4.24 114.94 115.99 3hoe s ASN 150 Ca 0.71 0.24 -0.08 0.00 -2.14 0.00 0.00 52.86 51.59 3hoe s ASN 150 Cb -0.02 -0.40 -0.03 0.00 1.28 0.00 0.00 41.25 42.07 3hoe s ASN 150 CO 0.49 -2.49 0.08 0.00 -2.04 0.00 0.00 177.10 173.14 3hoe s ALA 151 N -3.74 3.24 -0.30 3.54 0.00 -0.58 -4.22 121.76 119.70 3hoe s ALA 151 Ca 0.71 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 3hoe s ALA 151 Cb -0.05 -2.10 0.10 0.00 0.00 0.00 0.00 23.12 21.07 3hoe s ALA 151 CO 0.51 -0.38 0.09 1.21 0.00 0.00 0.00 175.76 177.19 3hoe s ASN 152 N 1.42 3.90 0.36 0.00 3.84 0.87 -1.06 114.94 124.28 3hoe s ASN 152 Ca 0.06 -1.54 0.27 0.00 0.21 0.00 0.00 52.86 51.86 3hoe s ASN 152 Cb -0.15 -0.80 1.06 0.00 -0.55 0.00 0.00 41.25 40.81 3hoe s ASN 152 CO 0.04 -0.41 1.80 -0.07 -2.79 0.00 0.00 177.10 175.68 3hoe h LEU 153 N 8.13 0.00 -9.12 3.21 3.38 -0.51 -3.38 115.31 117.02 3hoe h LEU 153 Ca -0.14 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.26 3hoe h LEU 153 Cb 1.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3hoe h LEU 153 CO 0.46 0.00 1.24 0.20 0.09 0.00 0.00 178.44 180.42 3hoe s ASN 154 N -4.84 6.20 0.53 -0.43 0.01 -1.26 -4.84 114.94 110.30 3hoe s ASN 154 Ca 0.04 1.99 0.19 0.00 -0.71 0.00 0.00 52.86 54.37 3hoe s ASN 154 Cb 0.09 -2.53 1.33 0.00 0.41 0.00 0.00 41.25 40.56 3hoe s ASN 154 CO 0.48 -1.35 2.12 0.78 -1.51 0.00 0.00 177.10 177.62 3hoe h ASN 155 N 11.62 0.00 0.43 -1.22 2.35 -1.97 0.93 115.58 127.73 3hoe h ASN 155 Ca -0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 3hoe h ASN 155 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 3hoe h ASN 155 CO 0.97 0.00 0.00 -1.84 -1.65 0.00 0.00 177.43 174.91 3hoe n GLU 156 N -4.45 0.03 0.09 0.81 0.00 -1.26 -1.61 120.64 114.25 3hoe n GLU 156 Ca -0.00 0.33 -0.03 0.00 0.00 0.00 0.00 57.16 57.46 3hoe n GLU 156 Cb 0.20 -1.57 -0.06 0.00 0.00 0.00 0.00 31.44 30.02 3hoe n GLU 156 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 3hoe h GLU 157 N 0.00 0.00 0.00 3.44 4.57 -1.18 -3.48 114.58 117.93 3hoe h GLU 157 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3hoe h GLU 157 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 3hoe h GLU 157 CO 0.00 0.71 0.00 0.41 -1.18 0.00 0.00 179.01 178.95 3hoe n GLY 158 N 1.31 0.69 3.77 1.92 0.00 -0.63 -4.92 105.19 107.33 3hoe n GLY 158 Ca -0.01 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 3hoe n GLY 158 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hoe s ARG 159 N -0.85 3.99 0.53 1.61 0.52 -1.26 -0.41 118.95 123.08 3hoe s ARG 159 Ca 0.00 1.82 -0.19 0.00 -0.52 0.00 0.00 55.73 56.84 3hoe s ARG 159 Cb 0.00 -2.61 -0.06 0.00 0.52 0.00 0.00 34.95 32.80 3hoe s ARG 159 CO 0.00 -0.37 1.08 -1.25 0.02 0.00 0.00 175.30 174.78 3hoe s PRO 160 N -2.40 3.51 0.01 3.54 0.04 -1.26 -4.80 135.00 133.65 3hoe s PRO 160 Ca 0.59 1.42 0.22 0.00 0.04 0.00 0.00 61.00 63.27 3hoe s PRO 160 Cb -0.30 -2.05 -0.27 0.00 0.04 0.00 0.00 34.50 31.92 3hoe s PRO 160 CO 0.37 -0.68 0.59 0.09 0.04 0.00 0.00 177.00 177.41 3hoe n ASN 161 N -1.33 0.17 -3.15 6.66 3.02 -1.26 -1.83 115.26 117.53 3hoe n ASN 161 Ca 0.10 0.04 0.04 0.00 -0.03 0.00 0.00 54.58 54.73 3hoe n ASN 161 Cb 0.52 1.70 -0.01 0.00 -0.61 0.00 0.00 39.78 41.38 3hoe n ASN 161 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3hoe s TYR 162 N -3.48 -1.58 -0.37 3.10 5.04 -1.26 -1.19 117.35 117.60 3hoe s TYR 162 Ca -0.06 1.62 0.02 0.00 -2.44 0.00 0.00 57.07 56.21 3hoe s TYR 162 Cb 0.13 0.54 0.15 0.00 0.35 0.00 0.00 41.96 43.13 3hoe s TYR 162 CO 0.89 -0.87 0.32 -0.51 -1.34 0.00 0.00 175.55 174.04 3hoe s LEU 163 N 2.86 0.47 0.39 6.97 1.43 -1.26 -5.03 118.68 124.52 3hoe s LEU 163 Ca 0.19 -2.01 0.20 0.00 -1.03 0.00 0.00 54.13 51.49 3hoe s LEU 163 Cb -0.14 0.12 0.75 0.00 0.03 0.00 0.00 46.19 46.94 3hoe s LEU 163 CO -0.21 -0.26 1.76 -1.13 0.23 0.00 0.00 176.35 176.74 3hoe h ASN 164 N 6.79 0.00 0.55 2.29 -1.24 -1.93 -1.99 115.58 120.06 3hoe h ASN 164 Ca 0.08 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.00 3hoe h ASN 164 Cb 1.01 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.04 3hoe h ASN 164 CO 0.23 0.33 -0.44 0.44 -1.29 0.00 0.00 177.43 176.71 3hoe h ASP 165 N 0.00 0.00 0.00 1.15 5.19 -2.01 -3.39 116.42 117.36 3hoe h ASP 165 Ca -0.00 0.00 -0.43 0.00 -0.62 0.00 0.00 57.03 55.97 3hoe h ASP 165 Cb 0.85 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.29 3hoe h ASP 165 CO 0.04 0.44 -2.48 0.47 -3.12 0.00 0.00 179.24 174.59 3hoe n ASP 166 N -3.85 1.92 -4.22 6.45 8.00 -0.86 -4.73 116.55 119.27 3hoe n ASP 166 Ca -0.01 0.22 -0.16 0.00 0.71 0.00 0.00 54.79 55.54 3hoe n ASP 166 Cb 0.49 -0.70 -0.11 0.00 -0.02 0.00 0.00 41.12 40.78 3hoe n ASP 166 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hoe s TYR 167 N -2.49 1.28 -0.45 1.24 2.02 -0.81 -0.52 117.35 117.61 3hoe s TYR 167 Ca -0.37 -0.60 0.23 0.00 -0.37 0.00 0.00 57.07 55.96 3hoe s TYR 167 Cb 0.13 -0.67 0.36 0.00 -0.40 0.00 0.00 41.96 41.38 3hoe s TYR 167 CO 0.49 0.09 1.59 1.88 -1.57 0.00 0.00 175.55 178.04 3hoe h TYR 168 N 3.47 0.00 -2.47 2.71 0.05 -1.24 -3.41 116.97 116.08 3hoe h TYR 168 Ca -0.39 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 57.87 3hoe h TYR 168 Cb 1.19 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.91 3hoe h TYR 168 CO 0.65 0.00 -0.45 -0.08 -1.05 0.00 0.00 178.16 177.23 3hoe s THR 169 N -3.21 5.30 0.50 -2.88 -1.32 -1.26 -5.07 115.64 107.70 3hoe s THR 169 Ca 0.07 -0.76 0.08 0.00 -1.21 0.00 0.00 61.69 59.87 3hoe s THR 169 Cb 0.06 -3.78 0.04 0.00 -1.51 0.00 0.00 72.50 67.31 3hoe s THR 169 CO 0.67 -0.16 0.59 -0.54 -2.21 0.00 0.00 174.62 172.97 3hoe s LYS 170 N -3.44 2.47 -1.47 7.08 3.01 -1.26 -4.64 119.74 121.48 3hoe s LYS 170 Ca 0.35 -1.59 -0.05 0.00 -1.01 0.00 0.00 55.97 53.66 3hoe s LYS 170 Cb -0.10 -2.53 0.04 0.00 -1.01 0.00 0.00 37.83 34.23 3hoe s LYS 170 CO 0.29 -0.54 0.57 1.19 0.51 0.00 0.00 175.35 177.37 3hoe n PHE 171 N -1.93 -1.76 -1.49 3.18 3.72 -0.34 -4.71 117.46 114.14 3hoe n PHE 171 Ca 0.08 0.78 -0.44 0.00 -0.05 0.00 0.00 57.45 57.82 3hoe n PHE 171 Cb 0.61 -3.66 -0.07 0.00 -0.94 0.00 0.00 39.48 35.42 3hoe n PHE 171 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3hoe n ILE 172 N -4.42 0.08 -1.00 4.37 2.08 -0.76 -0.39 119.36 119.33 3hoe n ILE 172 Ca -0.20 -0.37 0.00 0.00 0.56 0.00 0.00 62.75 62.74 3hoe n ILE 172 Cb 0.63 -1.80 0.00 0.00 -0.75 0.00 0.00 39.64 37.72 3hoe n ILE 172 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hoe n GLY 173 N 6.35 0.53 0.04 7.39 0.00 -1.16 -4.47 105.19 113.87 3hoe n GLY 173 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 3hoe n GLY 173 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hoe n LYS 174 N -2.92 0.00 0.24 1.61 5.02 0.48 -0.09 118.16 122.50 3hoe n LYS 174 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.36 3hoe n LYS 174 Cb 0.00 -0.46 0.56 0.00 -0.02 0.00 0.00 35.03 35.12 3hoe n LYS 174 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hoe h ARG 175 N 0.00 0.00 -2.68 1.97 3.08 -1.85 -3.22 114.38 111.68 3hoe h ARG 175 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3hoe h ARG 175 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 29.91 3hoe h ARG 175 CO 0.00 0.15 0.19 0.54 -1.07 0.00 0.00 179.97 179.78 3hoe s VAL 176 N -4.62 0.00 0.40 2.04 0.11 -1.26 -2.13 120.40 114.94 3hoe s VAL 176 Ca -0.04 -0.02 -0.26 0.00 -2.93 0.00 0.00 61.98 58.73 3hoe s VAL 176 Cb 0.15 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.90 3hoe s VAL 176 CO 0.67 -0.01 1.26 0.61 -3.33 0.00 0.00 175.10 174.30 3hoe n GLY 177 N 0.06 0.51 3.71 6.54 0.00 -0.53 -2.98 105.19 112.50 3hoe n GLY 177 Ca -0.18 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3hoe n GLY 177 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hoe s LEU 178 N -1.47 4.37 0.08 0.99 2.96 -1.26 -4.66 118.68 119.70 3hoe s LEU 178 Ca 0.60 1.99 0.07 0.00 -0.22 0.00 0.00 54.13 56.57 3hoe s LEU 178 Cb -0.52 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.55 3hoe s LEU 178 CO 0.59 -0.45 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.35 3hoe s VAL 179 N 1.04 3.17 0.47 1.68 1.01 -1.26 -1.01 120.40 125.50 3hoe s VAL 179 Ca 0.58 -1.23 0.25 0.00 0.00 0.00 0.00 61.98 61.58 3hoe s VAL 179 Cb -0.29 -2.43 0.43 0.00 0.00 0.00 0.00 36.38 34.10 3hoe s VAL 179 CO 0.29 0.20 1.86 0.77 0.00 0.00 0.00 175.10 178.22 3hoe h SER 180 N 3.97 0.22 0.81 3.32 4.64 -1.63 0.24 113.55 125.13 3hoe h SER 180 Ca -0.49 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3hoe h SER 180 Cb 1.16 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3hoe h SER 180 CO 0.50 0.07 0.00 1.23 -0.87 0.00 0.00 176.83 177.76 3hoe h GLY 181 N 0.21 0.00 2.00 -0.77 0.00 -1.94 -2.51 103.07 100.06 3hoe h GLY 181 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3hoe h GLY 181 CO -0.11 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 175.88 3hoe h ASP 182 N 0.00 0.00 -3.95 0.19 3.32 -0.91 -3.46 116.42 111.61 3hoe h ASP 182 Ca 0.00 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.59 3hoe h ASP 182 Cb 0.40 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3hoe h ASP 182 CO 0.00 0.00 0.36 0.00 -1.72 0.00 0.00 179.24 177.88 3hoe s ALA 183 N -3.25 3.14 -0.05 3.45 0.00 -0.95 -0.75 121.76 123.35 3hoe s ALA 183 Ca 0.07 0.53 -0.26 0.00 0.00 0.00 0.00 51.96 52.30 3hoe s ALA 183 Cb 0.10 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 3hoe s ALA 183 CO 0.53 0.07 0.82 0.15 0.00 0.00 0.00 175.76 177.33 3hoe s LYS 184 N -2.45 4.47 0.27 0.00 1.02 0.32 -4.87 119.74 118.50 3hoe s LYS 184 Ca 0.55 1.10 0.00 0.00 0.02 0.00 0.00 55.97 57.65 3hoe s LYS 184 Cb -0.17 -3.46 0.58 0.00 -0.52 0.00 0.00 37.83 34.26 3hoe s LYS 184 CO 0.22 -0.01 1.74 -1.35 -0.92 0.00 0.00 175.35 175.02 3hoe h PRO 185 N 6.82 0.53 0.00 -1.68 0.11 -1.90 -1.12 132.00 134.77 3hoe h PRO 185 Ca -0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hoe h PRO 185 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3hoe h PRO 185 CO 0.76 0.35 0.00 0.00 -0.21 0.00 0.00 178.00 178.90 3hoe n ALA 186 N -2.45 1.42 -0.03 -0.75 0.00 -1.26 -2.24 120.51 115.20 3hoe n ALA 186 Ca 0.18 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.72 3hoe n ALA 186 Cb 0.50 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3hoe n ALA 186 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hoe n LYS 187 N -2.08 4.65 -3.78 0.00 5.02 -0.52 -5.04 118.16 116.42 3hoe n LYS 187 Ca 0.01 -0.09 -0.13 0.00 -2.02 0.00 0.00 58.31 56.08 3hoe n LYS 187 Cb 0.14 -0.54 -0.12 0.00 -0.02 0.00 0.00 35.03 34.50 3hoe n LYS 187 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3hoe s HIS 188 N -0.69 -0.28 -0.21 2.13 3.76 -0.64 -4.87 115.29 114.48 3hoe s HIS 188 Ca 0.00 0.69 -0.09 0.00 -0.15 0.00 0.00 55.06 55.51 3hoe s HIS 188 Cb 0.00 0.09 0.09 0.00 1.11 0.00 0.00 32.58 33.87 3hoe s HIS 188 CO 0.00 -0.14 0.48 0.21 -0.85 0.00 0.00 174.74 174.43 3hoe s LYS 189 N 0.25 0.42 -0.65 1.40 2.20 -1.26 -4.20 119.74 117.89 3hoe s LYS 189 Ca -0.01 1.05 -0.15 0.00 -0.36 0.00 0.00 55.97 56.50 3hoe s LYS 189 Cb -0.03 0.29 0.16 0.00 -1.51 0.00 0.00 37.83 36.75 3hoe s LYS 189 CO -0.01 -0.21 0.60 0.71 -0.36 0.00 0.00 175.35 176.09 3hoe s TYR 190 N 2.22 3.46 0.09 4.03 2.02 -1.26 -0.95 117.35 126.96 3hoe s TYR 190 Ca -0.05 -1.59 0.05 0.00 -0.37 0.00 0.00 57.07 55.11 3hoe s TYR 190 Cb -0.10 -3.80 -0.04 0.00 -0.40 0.00 0.00 41.96 37.62 3hoe s TYR 190 CO -0.14 -1.01 -0.02 0.95 -1.57 0.00 0.00 175.55 173.76 3hoe s THR 191 N 1.02 3.92 0.02 -0.71 -4.23 -0.62 -2.10 115.64 112.94 3hoe s THR 191 Ca 0.09 -1.02 0.06 0.00 -1.18 0.00 0.00 61.69 59.64 3hoe s THR 191 Cb -0.22 -2.86 -0.02 0.00 1.34 0.00 0.00 72.50 70.74 3hoe s THR 191 CO -0.02 0.13 -0.17 -0.94 -0.54 0.00 0.00 174.62 173.08 3hoe s SER 192 N -2.27 1.97 -0.02 3.99 1.04 0.53 -1.01 113.70 117.94 3hoe s SER 192 Ca 0.25 -0.40 -0.01 0.00 0.48 0.00 0.00 55.95 56.27 3hoe s SER 192 Cb -0.12 -0.18 0.01 0.00 0.10 0.00 0.00 66.02 65.84 3hoe s SER 192 CO 0.17 0.14 0.04 -1.58 0.98 0.00 0.00 173.24 172.99 3hoe s GLN 193 N -0.80 0.02 -0.02 4.02 0.74 -0.92 -0.63 119.66 122.08 3hoe s GLN 193 Ca 0.05 0.09 0.04 0.00 0.05 0.00 0.00 55.36 55.60 3hoe s GLN 193 Cb -0.07 -0.05 -0.01 0.00 1.10 0.00 0.00 33.01 33.97 3hoe s GLN 193 CO 0.01 -0.05 -0.15 -0.06 -0.55 0.00 0.00 175.29 174.49 3hoe s PHE 194 N 0.32 1.35 -0.37 1.67 0.08 0.11 -1.71 117.98 119.43 3hoe s PHE 194 Ca -0.03 -0.27 -0.10 0.00 0.12 0.00 0.00 56.93 56.66 3hoe s PHE 194 Cb -0.04 -0.88 0.03 0.00 -0.57 0.00 0.00 43.02 41.57 3hoe s PHE 194 CO -0.01 -0.04 0.18 -1.83 -0.10 0.00 0.00 175.22 173.42 3hoe s GLU 195 N -0.28 2.75 -0.16 0.44 1.03 -0.44 0.31 118.70 122.35 3hoe s GLU 195 Ca 0.04 -1.13 -0.05 0.00 0.03 0.00 0.00 54.97 53.86 3hoe s GLU 195 Cb -0.06 -3.66 -0.03 0.00 -0.80 0.00 0.00 34.13 29.57 3hoe s GLU 195 CO -0.00 -0.70 0.02 0.08 -1.33 0.00 0.00 175.26 173.32 3hoe s VAL 196 N 1.51 4.41 -0.37 1.83 1.01 0.83 -1.97 120.40 127.65 3hoe s VAL 196 Ca 0.01 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.83 3hoe s VAL 196 Cb -0.19 -2.95 0.10 0.00 0.00 0.00 0.00 36.38 33.35 3hoe s VAL 196 CO 0.05 0.50 0.10 -0.62 0.00 0.00 0.00 175.10 175.13 3hoe s ASP 197 N 0.12 4.86 0.27 3.32 -1.08 -0.39 -1.06 116.67 122.72 3hoe s ASP 197 Ca 0.02 -2.18 0.25 0.00 -0.52 0.00 0.00 52.55 50.12 3hoe s ASP 197 Cb -0.13 -1.68 0.98 0.00 -1.46 0.00 0.00 42.92 40.63 3hoe s ASP 197 CO 0.02 -0.41 1.74 -0.26 0.52 0.00 0.00 175.17 176.77 3hoe h PHE 198 N 7.65 0.00 -0.20 -5.34 -1.00 -1.77 0.34 116.94 116.62 3hoe h PHE 198 Ca -0.06 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.64 3hoe h PHE 198 Cb 1.02 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.58 3hoe h PHE 198 CO 0.49 0.00 -0.18 0.00 -1.61 0.00 0.00 178.31 177.01 3hoe h ALA 199 N 2.28 0.29 -0.02 2.45 0.00 -1.84 -3.29 119.26 119.13 3hoe h ALA 199 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hoe h ALA 199 Cb 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hoe h ALA 199 CO 0.00 0.20 -0.25 0.25 0.00 0.00 0.00 179.25 179.45 3hoe n THR 200 N -4.47 0.00 -3.87 0.00 -2.24 -1.03 -4.97 114.28 97.71 3hoe n THR 200 Ca -0.05 -0.30 -0.28 0.00 -2.27 0.00 0.00 64.05 61.15 3hoe n THR 200 Cb 0.39 1.07 0.03 0.00 -2.10 0.00 0.00 70.33 69.71 3hoe n THR 200 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hoe n LYS 201 N 0.25 -5.45 -4.73 -0.78 5.02 0.08 -4.90 118.16 107.64 3hoe n LYS 201 Ca 0.12 0.60 -0.30 0.00 -2.02 0.00 0.00 58.31 56.72 3hoe n LYS 201 Cb 0.47 -5.43 -0.14 0.00 -0.02 0.00 0.00 35.03 29.91 3hoe n LYS 201 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3hoe s LYS 202 N -6.49 1.75 -0.04 1.97 -0.14 -1.12 -0.33 119.74 115.34 3hoe s LYS 202 Ca 0.53 -1.15 0.03 0.00 -1.36 0.00 0.00 55.97 54.02 3hoe s LYS 202 Cb -0.26 -2.00 0.00 0.00 -1.68 0.00 0.00 37.83 33.89 3hoe s LYS 202 CO 0.83 0.50 -0.14 1.41 -0.76 0.00 0.00 175.35 177.19 3hoe s MET 203 N -1.49 1.43 0.35 1.68 -2.45 -0.36 -1.26 119.30 117.19 3hoe s MET 203 Ca 0.13 -0.47 0.06 0.00 -1.25 0.00 0.00 55.69 54.15 3hoe s MET 203 Cb -0.10 -1.27 -0.07 0.00 1.25 0.00 0.00 34.83 34.64 3hoe s MET 203 CO 0.04 0.18 0.01 0.95 1.05 0.00 0.00 175.02 177.25 3hoe s THR 204 N 0.13 1.61 0.00 10.11 -4.23 -0.83 -1.45 115.64 120.98 3hoe s THR 204 Ca -0.04 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 3hoe s THR 204 Cb -0.10 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.95 3hoe s THR 204 CO 0.01 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 3hoe n GLY 205 N -0.77 0.60 2.94 3.99 0.00 -0.98 -1.33 105.19 109.65 3hoe n GLY 205 Ca -0.04 -0.86 -0.19 0.00 0.00 0.00 0.00 46.02 44.92 3hoe n GLY 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hoe s LYS 206 N -2.00 0.80 -0.25 1.61 1.02 -0.69 -0.88 119.74 119.34 3hoe s LYS 206 Ca 0.00 -0.18 -0.07 0.00 0.02 0.00 0.00 55.97 55.74 3hoe s LYS 206 Cb 0.00 -0.78 -0.02 0.00 -0.52 0.00 0.00 37.83 36.51 3hoe s LYS 206 CO 0.00 0.01 0.05 -0.51 -0.92 0.00 0.00 175.35 173.99 3hoe s LEU 207 N 0.50 3.41 0.24 3.17 1.43 0.68 -2.16 118.68 125.95 3hoe s LEU 207 Ca -0.07 -0.33 0.11 0.00 -1.03 0.00 0.00 54.13 52.81 3hoe s LEU 207 Cb -0.11 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 3hoe s LEU 207 CO 0.00 -0.06 -0.18 -0.44 0.23 0.00 0.00 176.35 175.90 3hoe s SER 208 N 1.57 3.69 -0.27 2.29 0.01 -0.18 0.69 113.70 121.51 3hoe s SER 208 Ca 0.06 -0.89 0.02 0.00 1.31 0.00 0.00 55.95 56.45 3hoe s SER 208 Cb -0.15 -0.38 0.06 0.00 0.21 0.00 0.00 66.02 65.76 3hoe s SER 208 CO 0.02 0.07 -0.09 -0.62 0.41 0.00 0.00 173.24 173.03 3hoe s ASP 209 N -3.16 4.52 1.28 2.44 2.15 0.10 -1.60 116.67 122.40 3hoe s ASP 209 Ca 0.26 -1.41 0.00 0.00 0.43 0.00 0.00 52.55 51.84 3hoe s ASP 209 Cb -0.07 -1.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.98 3hoe s ASP 209 CO 0.14 -0.20 0.00 0.29 -0.17 0.00 0.00 175.17 175.22 3hoe n LYS 210 N 4.45 0.00 0.07 4.34 4.76 -0.12 -0.77 118.16 130.89 3hoe n LYS 210 Ca -0.13 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.42 3hoe n LYS 210 Cb 0.42 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.59 3hoe n LYS 210 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 3hoe n GLU 211 N 6.06 0.58 -2.71 1.97 -0.00 -1.26 -4.91 120.64 120.36 3hoe n GLU 211 Ca 0.00 0.05 -0.38 0.00 -0.00 0.00 0.00 57.16 56.83 3hoe n GLU 211 Cb 0.00 -1.74 -0.06 0.00 -0.00 0.00 0.00 31.44 29.64 3hoe n GLU 211 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 3hoe s LYS 212 N -3.37 4.58 -0.22 3.44 2.20 0.05 -5.03 119.74 121.39 3hoe s LYS 212 Ca -0.01 1.43 -0.16 0.00 -0.36 0.00 0.00 55.97 56.87 3hoe s LYS 212 Cb 0.11 -2.89 -0.04 0.00 -1.51 0.00 0.00 37.83 33.51 3hoe s LYS 212 CO 0.81 0.26 0.40 0.99 -0.36 0.00 0.00 175.35 177.45 3hoe s THR 213 N -1.50 5.19 -0.27 3.43 2.01 -1.26 0.01 115.64 123.25 3hoe s THR 213 Ca 0.49 0.68 -0.11 0.00 0.31 0.00 0.00 61.69 63.06 3hoe s THR 213 Cb -0.22 -3.73 -0.14 0.00 0.01 0.00 0.00 72.50 68.43 3hoe s THR 213 CO 0.27 0.22 -0.27 -0.38 -0.69 0.00 0.00 174.62 173.78 3hoe n ILE 214 N 4.55 1.53 -4.08 1.82 2.08 0.22 -4.69 119.36 120.80 3hoe n ILE 214 Ca -0.08 -0.40 -0.12 0.00 0.56 0.00 0.00 62.75 62.71 3hoe n ILE 214 Cb 0.51 -1.80 -0.11 0.00 -0.75 0.00 0.00 39.64 37.49 3hoe n ILE 214 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 3hoe s TYR 215 N -2.50 0.68 0.02 1.39 2.02 -0.91 -0.83 117.35 117.22 3hoe s TYR 215 Ca -0.37 -0.59 0.05 0.00 -0.37 0.00 0.00 57.07 55.79 3hoe s TYR 215 Cb 0.13 -0.41 -0.03 0.00 -0.40 0.00 0.00 41.96 41.25 3hoe s TYR 215 CO 0.53 -0.11 -0.12 0.95 -1.57 0.00 0.00 175.55 175.23 3hoe s THR 216 N -1.83 3.25 0.24 -0.71 -4.23 -0.54 -0.23 115.64 111.60 3hoe s THR 216 Ca -0.06 -0.95 0.11 0.00 -1.18 0.00 0.00 61.69 59.61 3hoe s THR 216 Cb -0.07 -2.39 -0.05 0.00 1.34 0.00 0.00 72.50 71.33 3hoe s THR 216 CO -0.01 0.38 -0.16 0.68 -0.54 0.00 0.00 174.62 174.96 3hoe s VAL 217 N -0.95 2.70 -0.04 2.29 -7.23 -0.06 0.33 120.40 117.42 3hoe s VAL 217 Ca 0.16 -2.14 -0.03 0.00 -1.81 0.00 0.00 61.98 58.16 3hoe s VAL 217 Cb -0.11 -2.38 0.02 0.00 0.56 0.00 0.00 36.38 34.47 3hoe s VAL 217 CO 0.06 -0.29 0.10 0.20 -0.31 0.00 0.00 175.10 174.87 3hoe s ASN 218 N -3.24 -0.09 0.06 4.85 0.01 -0.84 -2.32 114.94 113.37 3hoe s ASN 218 Ca 0.27 0.21 -0.14 0.00 -0.71 0.00 0.00 52.86 52.49 3hoe s ASN 218 Cb -0.06 0.18 0.02 0.00 0.41 0.00 0.00 41.25 41.80 3hoe s ASN 218 CO 0.15 -0.07 0.33 0.00 -1.51 0.00 0.00 177.10 176.00 3hoe s ALA 219 N 0.39 -0.75 -0.09 0.60 0.00 -0.53 -0.93 121.76 120.46 3hoe s ALA 219 Ca -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.90 3hoe s ALA 219 Cb -0.04 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 3hoe s ALA 219 CO -0.02 -0.47 0.01 -0.51 0.00 0.00 0.00 175.76 174.77 3hoe s ASP 220 N -2.27 5.30 -0.11 0.00 1.01 0.74 -1.23 116.67 120.11 3hoe s ASP 220 Ca -0.03 0.16 -0.11 0.00 0.71 0.00 0.00 52.55 53.29 3hoe s ASP 220 Cb 0.00 -1.51 -0.05 0.00 1.01 0.00 0.00 42.92 42.37 3hoe s ASP 220 CO -0.06 0.38 0.24 -0.63 0.21 0.00 0.00 175.17 175.31 3hoe s ILE 221 N -0.86 5.34 -0.15 0.77 1.01 0.56 -2.14 121.20 125.72 3hoe s ILE 221 Ca 0.13 0.43 -0.06 0.00 0.00 0.00 0.00 60.65 61.15 3hoe s ILE 221 Cb -0.11 -3.54 0.07 0.00 0.01 0.00 0.00 42.46 38.89 3hoe s ILE 221 CO 0.02 0.53 0.32 -0.60 0.00 0.00 0.00 174.94 175.22 3hoe s ARG 222 N -0.51 0.24 4.56 2.79 3.52 -0.65 -4.84 118.95 124.06 3hoe s ARG 222 Ca 0.16 0.78 0.00 0.00 -0.13 0.00 0.00 55.73 56.55 3hoe s ARG 222 Cb -0.13 0.04 0.00 0.00 -1.56 0.00 0.00 34.95 33.30 3hoe s ARG 222 CO 0.05 -0.23 0.00 0.41 -0.81 0.00 0.00 175.30 174.72 3hoe n GLY 223 N 4.98 1.49 1.30 8.12 0.00 -1.26 -2.46 105.19 117.36 3hoe n GLY 223 Ca -0.13 -0.60 0.04 0.00 0.00 0.00 0.00 46.02 45.33 3hoe n GLY 223 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hoe n ASN 224 N -0.76 3.74 -4.42 1.61 0.23 -1.26 -4.94 115.26 109.46 3hoe n ASN 224 Ca 0.00 -2.52 -0.22 0.00 -0.53 0.00 0.00 54.58 51.31 3hoe n ASN 224 Cb 0.00 -0.59 -0.10 0.00 -2.08 0.00 0.00 39.78 37.00 3hoe n ASN 224 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 3hoe s ARG 225 N -2.01 1.53 0.07 -3.83 1.81 -1.03 -1.46 118.95 114.03 3hoe s ARG 225 Ca 0.32 -1.71 0.02 0.00 -1.72 0.00 0.00 55.73 52.65 3hoe s ARG 225 Cb 0.24 -1.44 -0.03 0.00 -0.45 0.00 0.00 34.95 33.27 3hoe s ARG 225 CO 0.10 0.23 -0.08 -0.59 -0.68 0.00 0.00 175.30 174.28 3hoe s PHE 226 N -2.75 0.80 -0.03 -0.53 -0.12 -0.38 -1.63 117.98 113.33 3hoe s PHE 226 Ca 0.27 -0.65 -0.07 0.00 -0.05 0.00 0.00 56.93 56.43 3hoe s PHE 226 Cb -0.02 -0.47 0.01 0.00 -0.63 0.00 0.00 43.02 41.91 3hoe s PHE 226 CO 0.11 -0.09 0.16 0.95 -0.05 0.00 0.00 175.22 176.30 3hoe s THR 227 N -2.22 0.05 0.00 -4.49 -4.23 -0.91 -1.70 115.64 102.14 3hoe s THR 227 Ca -0.01 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 3hoe s THR 227 Cb -0.04 -0.38 0.00 0.00 1.34 0.00 0.00 72.50 73.42 3hoe s THR 227 CO -0.01 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 3hoe n GLY 228 N 2.04 0.75 3.10 3.99 0.00 -0.50 -0.18 105.19 114.39 3hoe n GLY 228 Ca -0.19 0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 3hoe n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hoe s ALA 229 N -1.00 -0.34 -0.13 4.61 0.00 -0.11 -2.58 121.76 122.21 3hoe s ALA 229 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 51.96 51.86 3hoe s ALA 229 Cb 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 3hoe s ALA 229 CO 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 175.76 175.53 3hoe s ALA 230 N -1.22 3.06 -0.20 0.00 0.00 -0.13 -1.99 121.76 121.29 3hoe s ALA 230 Ca -0.13 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.01 3hoe s ALA 230 Cb -0.07 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.56 3hoe s ALA 230 CO 0.01 0.33 -0.15 0.99 0.00 0.00 0.00 175.76 176.94 3hoe s THR 231 N -0.02 2.41 0.01 0.00 2.01 0.15 -1.44 115.64 118.76 3hoe s THR 231 Ca 0.01 -0.89 -0.30 0.00 0.31 0.00 0.00 61.69 60.82 3hoe s THR 231 Cb -0.13 -2.08 -0.08 0.00 0.01 0.00 0.00 72.50 70.22 3hoe s THR 231 CO 0.02 0.45 1.94 0.00 -0.69 0.00 0.00 174.62 176.35 3hoe s ALA 232 N 1.32 3.54 0.10 7.40 0.00 -1.26 -1.46 121.76 131.40 3hoe s ALA 232 Ca 0.04 1.25 -0.25 0.00 0.00 0.00 0.00 51.96 53.00 3hoe s ALA 232 Cb -0.14 -3.85 -0.11 0.00 0.00 0.00 0.00 23.12 19.02 3hoe s ALA 232 CO -0.10 -1.62 1.69 0.77 0.00 0.00 0.00 175.76 176.51 3hoe h SER 233 N 10.69 -0.34 -3.60 0.00 0.02 -1.25 -3.41 113.55 115.66 3hoe h SER 233 Ca -0.48 0.04 -0.66 0.00 -0.84 0.00 0.00 61.79 59.85 3hoe h SER 233 Cb 1.23 0.13 -0.24 0.00 0.14 0.00 0.00 62.40 63.65 3hoe h SER 233 CO 0.94 -0.19 -0.63 -0.62 -1.14 0.00 0.00 176.83 175.20 3hoe s ASP 234 N -4.97 5.09 0.00 3.07 -1.08 -1.26 -4.97 116.67 112.55 3hoe s ASP 234 Ca -0.14 -0.44 0.25 0.00 -0.52 0.00 0.00 52.55 51.69 3hoe s ASP 234 Cb 0.07 -1.90 0.40 0.00 -1.46 0.00 0.00 42.92 40.03 3hoe s ASP 234 CO 0.66 -0.11 1.34 0.29 0.52 0.00 0.00 175.17 177.87 3hoe n LYS 235 N 4.90 0.84 -3.18 4.34 4.76 -1.26 -4.22 118.16 124.34 3hoe n LYS 235 Ca -0.16 -0.60 -0.40 0.00 -2.87 0.00 0.00 58.31 54.29 3hoe n LYS 235 Cb 0.50 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 32.14 3hoe n LYS 235 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3hoe s ASN 236 N -2.57 6.62 0.07 4.39 0.01 -1.26 -4.88 114.94 117.31 3hoe s ASN 236 Ca 0.20 0.75 -0.19 0.00 -0.71 0.00 0.00 52.86 52.91 3hoe s ASN 236 Cb 0.18 -2.32 -0.11 0.00 0.41 0.00 0.00 41.25 39.42 3hoe s ASN 236 CO 0.58 -0.23 1.45 0.50 -1.51 0.00 0.00 177.10 177.88 3hoe h LYS 237 N 7.51 0.41 0.00 -0.60 3.64 -1.89 -3.40 116.57 122.24 3hoe h LYS 237 Ca -0.32 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3hoe h LYS 237 Cb 1.15 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3hoe h LYS 237 CO 0.76 0.67 0.00 0.41 -2.27 0.00 0.00 179.45 179.02 3hoe n GLY 238 N -0.11 -0.36 3.47 5.01 0.00 -1.26 0.64 105.19 112.58 3hoe n GLY 238 Ca -0.05 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 3hoe n GLY 238 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hoe s LYS 239 N 0.00 0.78 7.76 1.61 2.20 -1.26 -4.75 119.74 126.09 3hoe s LYS 239 Ca 0.00 0.56 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 3hoe s LYS 239 Cb 0.00 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.69 3hoe s LYS 239 CO 0.00 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.25 3hoe n GLY 240 N 2.13 3.28 0.31 5.54 0.00 0.45 -2.43 105.19 114.47 3hoe n GLY 240 Ca -0.16 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 45.80 3hoe n GLY 240 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hoe h GLU 241 N 0.00 0.22 -0.66 1.61 5.08 -1.96 -1.21 114.58 117.66 3hoe h GLU 241 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3hoe h GLU 241 Cb 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3hoe h GLU 241 CO 0.00 0.15 0.00 -1.13 -1.00 0.00 0.00 179.01 177.03 3hoe n SER 242 N -4.49 4.50 -4.70 1.42 3.41 -1.02 -4.97 113.62 107.77 3hoe n SER 242 Ca 0.03 -2.39 -0.43 0.00 -0.26 0.00 0.00 58.87 55.81 3hoe n SER 242 Cb 0.21 -0.56 -0.01 0.00 -0.26 0.00 0.00 64.21 63.58 3hoe n SER 242 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hoe n TYR 243 N 1.11 2.41 -3.66 7.33 9.36 -0.46 -4.21 117.16 129.03 3hoe n TYR 243 Ca 0.24 0.45 -0.39 0.00 3.32 0.00 0.00 57.90 61.52 3hoe n TYR 243 Cb 0.84 -2.47 -0.11 0.00 -0.63 0.00 0.00 39.34 36.96 3hoe n TYR 243 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3hoe s ASN 244 N 0.06 5.50 0.00 2.98 2.47 0.21 -4.94 114.94 121.22 3hoe s ASN 244 Ca 0.61 -1.50 0.24 0.00 0.42 0.00 0.00 52.86 52.63 3hoe s ASN 244 Cb -0.58 -1.93 1.12 0.00 -1.45 0.00 0.00 41.25 38.41 3hoe s ASN 244 CO 0.55 -0.49 1.77 0.49 -3.72 0.00 0.00 177.10 175.71 3hoe n PHE 245 N 4.85 0.00 -2.99 0.43 3.72 -1.26 -4.17 117.46 118.04 3hoe n PHE 245 Ca -0.10 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.05 3hoe n PHE 245 Cb 0.43 -0.37 -0.04 0.00 -0.94 0.00 0.00 39.48 38.56 3hoe n PHE 245 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3hoe n PHE 246 N -1.37 3.42 0.15 1.38 3.72 -1.26 -4.80 117.46 118.71 3hoe n PHE 246 Ca 0.09 -3.97 0.02 0.00 -0.05 0.00 0.00 57.45 53.54 3hoe n PHE 246 Cb 0.22 -0.48 0.00 0.00 -0.94 0.00 0.00 39.48 38.28 3hoe n PHE 246 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3hoe n SER 247 N -0.14 0.79 -4.85 4.37 3.41 -1.26 -4.56 113.62 111.38 3hoe n SER 247 Ca 0.30 -0.89 -0.35 0.00 -0.26 0.00 0.00 58.87 57.66 3hoe n SER 247 Cb 0.43 0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 64.78 3hoe n SER 247 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hoe s ALA 248 N -0.76 3.62 0.63 7.33 0.00 -1.26 -4.72 121.76 126.60 3hoe s ALA 248 Ca 0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 51.96 51.74 3hoe s ALA 248 Cb 0.03 -2.45 0.03 0.00 0.00 0.00 0.00 23.12 20.73 3hoe s ALA 248 CO 0.09 0.48 0.93 -0.51 0.00 0.00 0.00 175.76 176.75 3hoe s ASP 249 N -1.68 5.23 -0.02 0.00 1.01 -1.26 -4.41 116.67 115.54 3hoe s ASP 249 Ca 0.36 0.52 0.02 0.00 0.71 0.00 0.00 52.55 54.15 3hoe s ASP 249 Cb -0.15 -1.36 0.01 0.00 1.01 0.00 0.00 42.92 42.43 3hoe s ASP 249 CO 0.19 -1.29 -0.06 -0.55 0.21 0.00 0.00 175.17 173.66 3hoe s SER 250 N -4.41 0.93 -0.06 0.27 0.15 -0.52 -0.06 113.70 110.00 3hoe s SER 250 Ca 0.57 -0.14 0.17 0.00 0.70 0.00 0.00 55.95 57.25 3hoe s SER 250 Cb -0.11 -0.26 0.57 0.00 -1.71 0.00 0.00 66.02 64.51 3hoe s SER 250 CO 0.44 0.03 1.48 0.00 1.20 0.00 0.00 173.24 176.39 3hoe n GLN 251 N 3.38 3.15 -0.51 5.44 1.13 -1.26 -0.95 117.38 127.76 3hoe n GLN 251 Ca -0.19 -2.59 0.04 0.00 -1.94 0.00 0.00 57.00 52.33 3hoe n GLN 251 Cb 0.54 -1.62 0.20 0.00 0.11 0.00 0.00 30.24 29.47 3hoe n GLN 251 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 3hoe n SER 252 N 0.93 2.44 -4.72 1.08 3.41 -1.25 -4.76 113.62 110.75 3hoe n SER 252 Ca 0.21 -3.53 -0.42 0.00 -0.26 0.00 0.00 58.87 54.87 3hoe n SER 252 Cb 0.69 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 3hoe n SER 252 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3hoe s LEU 253 N -3.09 4.38 -0.23 1.04 0.20 -1.07 -4.35 118.68 115.56 3hoe s LEU 253 Ca 0.39 2.40 -0.18 0.00 0.69 0.00 0.00 54.13 57.43 3hoe s LEU 253 Cb 0.35 -3.59 0.06 0.00 -0.43 0.00 0.00 46.19 42.59 3hoe s LEU 253 CO -0.00 -0.66 0.60 -0.70 -0.29 0.00 0.00 176.35 175.30 3hoe s GLU 254 N 0.80 0.67 0.00 1.98 -6.30 -0.89 -1.40 118.70 113.56 3hoe s GLU 254 Ca 0.64 0.93 0.00 0.00 -2.50 0.00 0.00 54.97 54.04 3hoe s GLU 254 Cb -0.38 0.25 0.00 0.00 0.00 0.00 0.00 34.13 34.00 3hoe s GLU 254 CO 0.33 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.91 3hoe n GLY 255 N 3.33 2.03 3.81 -1.50 0.00 -0.69 -1.39 105.19 110.78 3hoe n GLY 255 Ca -0.16 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.00 3hoe n GLY 255 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hoe s GLY 256 N -0.77 -0.15 -0.06 -0.02 0.00 -0.26 -1.25 107.32 104.80 3hoe s GLY 256 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 44.72 44.55 3hoe s GLY 256 CO 0.00 -0.05 0.13 -1.36 0.00 0.00 0.00 173.10 171.82 3hoe s PHE 257 N -3.68 3.48 0.19 1.90 0.08 -0.53 -1.97 117.98 117.46 3hoe s PHE 257 Ca 0.11 0.38 0.06 0.00 0.12 0.00 0.00 56.93 57.61 3hoe s PHE 257 Cb -0.04 -1.85 -0.05 0.00 -0.57 0.00 0.00 43.02 40.51 3hoe s PHE 257 CO 0.05 0.65 -0.10 0.71 -0.10 0.00 0.00 175.22 176.42 3hoe s TYR 258 N -1.14 1.55 0.00 0.36 2.02 0.18 -1.47 117.35 118.85 3hoe s TYR 258 Ca 0.20 -0.69 0.00 0.00 -0.37 0.00 0.00 57.07 56.21 3hoe s TYR 258 Cb -0.12 -0.78 0.00 0.00 -0.40 0.00 0.00 41.96 40.66 3hoe s TYR 258 CO 0.10 0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.70 3hoe n GLY 259 N -0.33 -0.85 0.33 0.71 0.00 0.11 -1.95 105.19 103.20 3hoe n GLY 259 Ca -0.08 -1.44 0.10 0.00 0.00 0.00 0.00 46.02 44.60 3hoe n GLY 259 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hoe h PRO 260 N 0.00 0.04 -0.42 1.61 0.11 -1.87 -0.60 132.00 130.87 3hoe h PRO 260 Ca 0.00 -0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.87 3hoe h PRO 260 Cb 0.00 -0.01 -0.15 0.00 0.11 0.00 0.00 31.00 30.96 3hoe h PRO 260 CO 0.00 0.03 -0.10 1.63 -0.21 0.00 0.00 178.00 179.34 3hoe n LYS 261 N -5.46 2.02 -3.65 1.05 5.02 -1.26 -1.42 118.16 114.45 3hoe n LYS 261 Ca 0.19 -3.29 -0.25 0.00 -2.02 0.00 0.00 58.31 52.94 3hoe n LYS 261 Cb 0.63 -1.88 0.07 0.00 -0.02 0.00 0.00 35.03 33.83 3hoe n LYS 261 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hoe n ALA 262 N -1.09 -1.35 0.05 7.82 0.00 -0.23 -4.61 120.51 121.10 3hoe n ALA 262 Ca 0.36 0.34 0.16 0.00 0.00 0.00 0.00 53.44 54.30 3hoe n ALA 262 Cb 1.02 -5.16 0.66 0.00 0.00 0.00 0.00 19.45 15.97 3hoe n ALA 262 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3hoe h GLU 263 N -2.55 0.04 -4.30 0.00 3.07 -1.64 -3.45 114.58 105.75 3hoe h GLU 263 Ca -0.57 -0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.14 3hoe h GLU 263 Cb 1.37 -0.01 -0.15 0.00 -0.84 0.00 0.00 28.75 29.12 3hoe h GLU 263 CO 0.58 0.03 -0.64 -1.21 -1.40 0.00 0.00 179.01 176.36 3hoe s GLU 264 N -5.07 0.77 -0.00 2.33 2.02 -0.82 -2.00 118.70 115.93 3hoe s GLU 264 Ca -0.05 -1.31 -0.05 0.00 0.02 0.00 0.00 54.97 53.58 3hoe s GLU 264 Cb 0.19 0.23 -0.00 0.00 0.10 0.00 0.00 34.13 34.65 3hoe s GLU 264 CO 0.72 -0.19 0.10 0.00 0.02 0.00 0.00 175.26 175.91 3hoe s MET 265 N -3.98 0.40 0.08 1.61 0.23 0.43 0.48 119.30 118.55 3hoe s MET 265 Ca 0.15 -0.36 -0.09 0.00 -1.03 0.00 0.00 55.69 54.36 3hoe s MET 265 Cb 0.08 0.16 -0.00 0.00 -1.53 0.00 0.00 34.83 33.54 3hoe s MET 265 CO -0.05 -0.09 0.19 0.00 -2.03 0.00 0.00 175.02 173.05 3hoe s ALA 266 N -1.18 -0.26 0.04 3.16 0.00 -0.83 -0.30 121.76 122.39 3hoe s ALA 266 Ca -0.13 -0.54 -0.16 0.00 0.00 0.00 0.00 51.96 51.14 3hoe s ALA 266 Cb -0.07 0.44 0.05 0.00 0.00 0.00 0.00 23.12 23.55 3hoe s ALA 266 CO 0.01 -0.48 0.72 0.41 0.00 0.00 0.00 175.76 176.42 3hoe n GLY 267 N 0.09 0.60 3.47 0.00 0.00 -0.78 -1.11 105.19 107.46 3hoe n GLY 267 Ca -0.16 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 3hoe n GLY 267 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hoe s LYS 268 N -2.02 1.68 -0.06 1.61 -2.85 -0.48 -1.56 119.74 116.06 3hoe s LYS 268 Ca 0.17 -1.58 -0.30 0.00 -1.00 0.00 0.00 55.97 53.26 3hoe s LYS 268 Cb -0.01 0.42 0.09 0.00 -2.06 0.00 0.00 37.83 36.28 3hoe s LYS 268 CO 0.01 -0.68 0.80 -0.59 0.10 0.00 0.00 175.35 175.00 3hoe s PHE 269 N -3.54 -0.51 -0.13 1.78 -0.12 0.50 -2.08 117.98 113.88 3hoe s PHE 269 Ca 0.29 0.76 0.01 0.00 -0.05 0.00 0.00 56.93 57.95 3hoe s PHE 269 Cb 0.01 0.46 -0.01 0.00 -0.63 0.00 0.00 43.02 42.85 3hoe s PHE 269 CO 0.16 -0.54 -0.18 0.08 -0.05 0.00 0.00 175.22 174.69 3hoe s VAL 270 N -1.69 2.59 0.68 -2.49 1.01 -1.26 -1.19 120.40 118.06 3hoe s VAL 270 Ca -0.05 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 3hoe s VAL 270 Cb -0.00 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 3hoe s VAL 270 CO 0.02 0.53 0.59 0.00 0.00 0.00 0.00 175.10 176.24 3hoe n ALA 271 N 3.69 -1.24 0.17 5.51 0.00 -0.63 -4.53 120.51 123.49 3hoe n ALA 271 Ca -0.19 -0.18 0.04 0.00 0.00 0.00 0.00 53.44 53.11 3hoe n ALA 271 Cb 0.52 -1.88 0.45 0.00 0.00 0.00 0.00 19.45 18.54 3hoe n ALA 271 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3hoe h ASN 272 N -0.19 0.11 -0.48 0.00 2.35 -0.80 -1.53 115.58 115.05 3hoe h ASN 272 Ca -0.46 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 3hoe h ASN 272 Cb 1.36 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.70 3hoe h ASN 272 CO 0.44 0.28 0.00 -0.90 -1.65 0.00 0.00 177.43 175.60 3hoe n ASP 273 N -4.30 4.23 -2.56 5.81 5.68 -1.26 -4.93 116.55 119.22 3hoe n ASP 273 Ca -0.02 -2.53 -0.21 0.00 -0.50 0.00 0.00 54.79 51.54 3hoe n ASP 273 Cb 0.25 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.66 3hoe n ASP 273 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3hoe n LYS 274 N 0.67 -2.49 0.00 0.11 4.76 -0.58 -4.88 118.16 115.76 3hoe n LYS 274 Ca 0.21 0.95 0.11 0.00 -2.87 0.00 0.00 58.31 56.71 3hoe n LYS 274 Cb 0.85 -5.66 0.07 0.00 -1.84 0.00 0.00 35.03 28.44 3hoe n LYS 274 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3hoe n SER 275 N -2.12 1.55 -3.71 4.39 3.41 -1.26 -1.69 113.62 114.19 3hoe n SER 275 Ca -0.21 -1.22 -0.13 0.00 -0.26 0.00 0.00 58.87 57.05 3hoe n SER 275 Cb 0.67 0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 65.01 3hoe n SER 275 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3hoe s LEU 276 N -2.61 0.21 -0.12 1.04 2.96 -1.26 -1.74 118.68 117.16 3hoe s LEU 276 Ca 0.17 0.89 0.01 0.00 -0.22 0.00 0.00 54.13 54.98 3hoe s LEU 276 Cb 0.18 1.63 -0.01 0.00 0.50 0.00 0.00 46.19 48.48 3hoe s LEU 276 CO 0.62 -0.20 -0.16 0.12 -1.32 0.00 0.00 176.35 175.42 3hoe s PHE 277 N 0.10 2.73 -0.03 5.38 5.36 -0.15 -1.60 117.98 129.77 3hoe s PHE 277 Ca -0.01 -0.72 0.04 0.00 -0.96 0.00 0.00 56.93 55.27 3hoe s PHE 277 Cb -0.03 -1.79 -0.00 0.00 -0.34 0.00 0.00 43.02 40.85 3hoe s PHE 277 CO 0.01 -0.24 -0.13 0.00 -1.46 0.00 0.00 175.22 173.40 3hoe s ALA 278 N 0.27 1.14 0.24 11.12 0.00 -0.33 -1.85 121.76 132.36 3hoe s ALA 278 Ca -0.12 -0.51 0.06 0.00 0.00 0.00 0.00 51.96 51.39 3hoe s ALA 278 Cb -0.16 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 3hoe s ALA 278 CO 0.06 0.22 -0.06 0.14 0.00 0.00 0.00 175.76 176.12 3hoe s VAL 279 N 0.00 1.44 0.06 0.00 -7.23 -0.09 -0.37 120.40 114.22 3hoe s VAL 279 Ca -0.01 -2.11 -0.26 0.00 -1.81 0.00 0.00 61.98 57.79 3hoe s VAL 279 Cb -0.09 -2.31 0.08 0.00 0.56 0.00 0.00 36.38 34.62 3hoe s VAL 279 CO 0.01 -0.38 0.71 0.72 -0.31 0.00 0.00 175.10 175.84 3hoe s PHE 280 N -3.15 -0.50 0.03 2.82 -0.12 -0.60 -1.01 117.98 115.44 3hoe s PHE 280 Ca 0.27 0.46 -0.15 0.00 -0.05 0.00 0.00 56.93 57.46 3hoe s PHE 280 Cb 0.04 0.52 0.02 0.00 -0.63 0.00 0.00 43.02 42.97 3hoe s PHE 280 CO 0.09 -0.70 0.33 -1.54 -0.05 0.00 0.00 175.22 173.35 3hoe s SER 281 N -2.30 -0.17 0.07 1.98 1.04 -0.94 -1.87 113.70 111.49 3hoe s SER 281 Ca -0.00 -0.09 -0.27 0.00 0.48 0.00 0.00 55.95 56.06 3hoe s SER 281 Cb -0.01 0.37 0.09 0.00 0.10 0.00 0.00 66.02 66.56 3hoe s SER 281 CO -0.07 -0.60 0.92 0.00 0.98 0.00 0.00 173.24 174.47 3hoe s ALA 282 N -2.32 -1.75 -0.01 5.32 0.00 0.59 -2.26 121.76 121.33 3hoe s ALA 282 Ca -0.06 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.52 3hoe s ALA 282 Cb -0.02 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.63 3hoe s ALA 282 CO -0.02 -0.85 -0.03 0.21 0.00 0.00 0.00 175.76 175.08 3hoe s LYS 283 N -3.20 0.30 0.37 0.00 2.20 -0.83 -0.43 119.74 118.16 3hoe s LYS 283 Ca 0.08 -0.10 -0.21 0.00 -0.36 0.00 0.00 55.97 55.38 3hoe s LYS 283 Cb -0.01 -0.32 -0.10 0.00 -1.51 0.00 0.00 37.83 35.89 3hoe s LYS 283 CO -0.04 0.04 0.90 -3.38 -0.36 0.00 0.00 175.35 172.52 3hoe s HIS 284 N 0.09 3.44 0.00 4.03 -3.43 -0.85 -1.36 115.29 117.22 3hoe s HIS 284 Ca -0.01 1.59 0.00 0.00 -0.80 0.00 0.00 55.06 55.84 3hoe s HIS 284 Cb -0.03 -2.81 0.00 0.00 -1.43 0.00 0.00 32.58 28.31 3hoe s HIS 284 CO -0.00 0.03 0.00 0.09 -2.00 0.00 0.00 174.74 172.86