#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hvy s LEU 2 N 0.00 2.75 0.24 0.99 1.43 -1.26 -5.15 118.68 117.68 3hvy s LEU 2 Ca 0.00 -0.63 -0.05 0.00 -1.03 0.00 0.00 54.13 52.41 3hvy s LEU 2 Cb 0.00 -1.51 0.26 0.00 0.03 0.00 0.00 46.19 44.96 3hvy s LEU 2 CO 0.00 0.14 1.82 -0.08 0.23 0.00 0.00 176.35 178.46 3hvy h GLU 3 N 3.28 1.12 -0.03 1.70 4.57 -2.05 -1.56 114.58 121.62 3hvy h GLU 3 Ca -0.48 -0.18 -0.08 0.00 -1.18 0.00 0.00 59.36 57.45 3hvy h GLU 3 Cb 1.19 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.58 3hvy h GLU 3 CO 0.50 0.88 -0.34 0.74 -1.18 0.00 0.00 179.01 179.61 3hvy h PHE 4 N 1.10 0.06 -0.03 0.92 -1.00 -2.02 -0.13 116.94 115.83 3hvy h PHE 4 Ca 0.26 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 61.02 3hvy h PHE 4 Cb 0.16 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.71 3hvy h PHE 4 CO 0.02 0.39 0.00 1.15 -1.61 0.00 0.00 178.31 178.26 3hvy h THR 5 N 0.04 1.24 -0.26 -1.55 2.02 -1.76 -1.35 112.91 111.29 3hvy h THR 5 Ca 0.00 -0.72 0.06 0.00 0.77 0.00 0.00 66.41 66.52 3hvy h THR 5 Cb 0.63 1.66 -0.06 0.00 -1.74 0.00 0.00 68.15 68.64 3hvy h THR 5 CO 0.05 0.19 -0.11 0.50 0.37 0.00 0.00 175.52 176.52 3hvy h LYS 6 N -0.23 -0.06 -0.65 6.66 3.64 -0.88 0.01 116.57 125.07 3hvy h LYS 6 Ca 0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3hvy h LYS 6 Cb 0.31 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3hvy h LYS 6 CO 0.00 -0.04 0.31 0.00 -2.27 0.00 0.00 179.45 177.45 3hvy h ARG 7 N -0.06 0.93 -0.41 1.90 3.08 -1.03 -2.79 114.38 115.99 3hvy h ARG 7 Ca 0.13 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 3hvy h ARG 7 Cb 0.26 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 3hvy h ARG 7 CO -0.30 0.75 0.06 1.03 -1.07 0.00 0.00 179.97 180.44 3hvy h SER 8 N 0.89 0.66 0.00 7.04 0.87 -0.76 -0.10 113.55 122.15 3hvy h SER 8 Ca 0.22 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3hvy h SER 8 Cb 0.13 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 3hvy h SER 8 CO -0.03 0.75 0.00 0.18 -0.53 0.00 0.00 176.83 177.21 3hvy n LEU 9 N -4.50 0.00 0.00 2.23 4.77 -0.05 -0.53 117.00 118.91 3hvy n LEU 9 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hvy n LEU 9 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3hvy n LEU 9 CO 0.39 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 177.04 3hvy n ASN 11 N 0.22 0.00 0.06 -1.43 3.02 -0.05 -1.14 115.26 115.94 3hvy n ASN 11 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.33 3hvy n ASN 11 Cb 0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 3hvy n ASN 11 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3hvy h LYS 12 N 0.00 0.35 -0.11 3.52 1.63 -1.03 -3.40 116.57 117.53 3hvy h LYS 12 Ca 0.00 -0.59 0.00 0.00 -0.85 0.00 0.00 60.65 59.21 3hvy h LYS 12 Cb 0.00 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 3hvy h LYS 12 CO 0.00 1.28 0.00 0.66 -3.45 0.00 0.00 179.45 177.94 3hvy n TYR 13 N -3.85 0.14 -3.59 1.91 4.01 -0.29 -4.99 117.16 110.50 3hvy n TYR 13 Ca -0.21 -0.32 -0.27 0.00 -0.16 0.00 0.00 57.90 56.94 3hvy n TYR 13 Cb 0.96 -0.03 0.01 0.00 -0.31 0.00 0.00 39.34 39.98 3hvy n TYR 13 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3hvy n ASN 14 N 0.09 -4.42 -4.74 7.72 3.02 -1.17 -4.94 115.26 110.82 3hvy n ASN 14 Ca 0.05 -0.57 -0.41 0.00 -0.03 0.00 0.00 54.58 53.62 3hvy n ASN 14 Cb 0.26 -3.59 -0.03 0.00 -0.61 0.00 0.00 39.78 35.82 3hvy n ASN 14 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hvy s ILE 15 N -3.12 2.92 0.45 2.41 1.01 -1.17 -4.94 121.20 118.76 3hvy s ILE 15 Ca 0.51 0.75 0.08 0.00 0.00 0.00 0.00 60.65 61.99 3hvy s ILE 15 Cb -0.26 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 38.74 3hvy s ILE 15 CO 0.63 0.11 0.47 0.54 0.00 0.00 0.00 174.94 176.69 3hvy s ASN 16 N 0.49 5.13 0.21 3.58 2.20 -1.26 -4.86 114.94 120.42 3hvy s ASN 16 Ca 0.60 -0.75 -0.05 0.00 -0.94 0.00 0.00 52.86 51.71 3hvy s ASN 16 Cb -0.40 -0.36 0.17 0.00 -2.00 0.00 0.00 41.25 38.66 3hvy s ASN 16 CO 0.39 -0.82 1.64 -0.33 -2.94 0.00 0.00 177.10 175.04 3hvy h GLU 17 N 0.81 0.84 0.03 3.55 4.39 -1.98 -1.68 114.58 120.54 3hvy h GLU 17 Ca -0.39 -0.32 0.02 0.00 0.34 0.00 0.00 59.36 59.01 3hvy h GLU 17 Cb 1.28 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 3hvy h GLU 17 CO 0.53 0.95 -0.11 -0.09 -1.16 0.00 0.00 179.01 179.12 3hvy h ARG 18 N 0.74 -0.20 -0.83 2.33 2.43 -1.96 0.12 114.38 117.02 3hvy h ARG 18 Ca 0.11 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.34 3hvy h ARG 18 Cb 0.69 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.23 3hvy h ARG 18 CO 0.05 -0.13 0.52 0.28 -1.51 0.00 0.00 179.97 179.18 3hvy h VAL 19 N -0.21 1.09 -0.22 0.20 2.07 -1.84 -1.19 116.25 116.16 3hvy h VAL 19 Ca 0.03 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.14 3hvy h VAL 19 Cb 0.24 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3hvy h VAL 19 CO -0.10 0.18 -0.19 -0.07 0.02 0.00 0.00 177.57 177.41 3hvy h LEU 20 N 0.98 0.37 -0.35 2.57 3.38 -0.88 0.52 115.31 121.90 3hvy h LEU 20 Ca 0.34 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 3hvy h LEU 20 Cb 0.08 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3hvy h LEU 20 CO -0.14 0.58 -0.13 -0.33 0.09 0.00 0.00 178.44 178.51 3hvy h GLU 21 N 0.35 0.71 -0.68 1.13 5.08 -0.40 -2.70 114.58 118.07 3hvy h GLU 21 Ca 0.06 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3hvy h GLU 21 Cb 0.54 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3hvy h GLU 21 CO 0.04 0.89 0.32 -0.07 -1.00 0.00 0.00 179.01 179.19 3hvy h LEU 22 N 0.50 0.87 -0.10 1.33 3.38 -0.88 -2.30 115.31 118.11 3hvy h LEU 22 Ca 0.08 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3hvy h LEU 22 Cb 0.66 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3hvy h LEU 22 CO 0.04 0.74 -0.07 0.22 0.09 0.00 0.00 178.44 179.47 3hvy h TYR 23 N 0.96 -0.16 -0.70 1.13 3.20 -0.76 0.16 116.97 120.80 3hvy h TYR 23 Ca 0.24 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 3hvy h TYR 23 Cb 0.10 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 3hvy h TYR 23 CO 0.01 -0.11 0.41 0.93 -1.64 0.00 0.00 178.16 177.76 3hvy h GLU 24 N -0.07 0.95 -0.37 1.82 4.39 -1.25 -0.45 114.58 119.60 3hvy h GLU 24 Ca 0.06 -0.09 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 3hvy h GLU 24 Cb 0.17 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3hvy h GLU 24 CO -0.15 0.69 -0.13 -0.09 -1.16 0.00 0.00 179.01 178.17 3hvy h ARG 25 N 0.95 0.74 -0.46 2.33 9.65 -1.14 -2.67 114.38 123.78 3hvy h ARG 25 Ca 0.25 -0.30 -0.09 0.00 -1.10 0.00 0.00 59.98 58.74 3hvy h ARG 25 Cb -0.01 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.52 3hvy h ARG 25 CO -0.04 0.90 -0.05 0.00 2.80 0.00 0.00 179.97 183.58 3hvy h ALA 26 N 0.81 0.63 -0.45 2.80 0.00 -0.51 -1.21 119.26 121.32 3hvy h ALA 26 Ca 0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3hvy h ALA 26 Cb 0.65 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3hvy h ALA 26 CO 0.04 0.48 0.20 1.25 0.00 0.00 0.00 179.25 181.22 3hvy h LEU 27 N 0.70 0.61 -0.79 0.00 5.85 -1.09 -1.46 115.31 119.12 3hvy h LEU 27 Ca 0.13 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3hvy h LEU 27 Cb 0.57 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3hvy h LEU 27 CO 0.03 0.59 0.44 0.78 -0.34 0.00 0.00 178.44 179.94 3hvy h ASN 28 N 0.59 0.99 0.30 1.25 2.35 -1.40 -2.99 115.58 116.66 3hvy h ASN 28 Ca 0.15 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 3hvy h ASN 28 Cb 0.16 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3hvy h ASN 28 CO -0.02 0.80 -0.31 0.44 -1.65 0.00 0.00 177.43 176.70 3hvy h ASP 29 N 1.10 0.02 -0.25 5.81 3.32 -0.39 -2.98 116.42 123.05 3hvy h ASP 29 Ca 0.28 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3hvy h ASP 29 Cb 0.03 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3hvy h ASP 29 CO -0.05 0.33 0.00 1.33 -1.72 0.00 0.00 179.24 179.13 3hvy n VAL 30 N -4.17 0.31 -0.30 -1.35 0.24 -0.63 -4.57 118.33 107.87 3hvy n VAL 30 Ca -0.02 -0.54 -0.05 0.00 -2.04 0.00 0.00 64.34 61.69 3hvy n VAL 30 Cb 0.36 0.79 0.07 0.00 -1.47 0.00 0.00 33.84 33.59 3hvy n VAL 30 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3hvy h GLU 31 N 3.56 1.16 -0.55 7.34 4.81 -1.46 -0.85 114.58 128.60 3hvy h GLU 31 Ca 0.00 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.01 3hvy h GLU 31 Cb 0.78 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 3hvy h GLU 31 CO 0.00 0.87 0.04 0.87 -0.73 0.00 0.00 179.01 180.06 3hvy h LYS 32 N 1.16 0.91 -0.59 1.92 1.57 -1.83 -1.44 116.57 118.27 3hvy h LYS 32 Ca 0.29 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3hvy h LYS 32 Cb 0.06 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3hvy h LYS 32 CO -0.04 0.88 0.23 0.93 -0.57 0.00 0.00 179.45 180.88 3hvy h GLU 33 N 0.85 0.88 -0.68 3.15 4.39 -1.64 -2.32 114.58 119.21 3hvy h GLU 33 Ca 0.17 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 3hvy h GLU 33 Cb 0.45 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 3hvy h GLU 33 CO 0.02 0.76 0.40 0.74 -1.16 0.00 0.00 179.01 179.76 3hvy h PHE 34 N 0.81 0.90 -0.86 4.33 -1.00 -0.80 -1.30 116.94 119.02 3hvy h PHE 34 Ca 0.20 -0.01 0.05 0.00 2.81 0.00 0.00 57.97 61.02 3hvy h PHE 34 Cb 0.21 -0.29 -0.05 0.00 3.61 0.00 0.00 35.95 39.42 3hvy h PHE 34 CO 0.01 0.62 0.56 0.87 -1.61 0.00 0.00 178.31 178.77 3hvy h LYS 35 N 0.92 0.98 -0.10 1.51 6.56 -1.17 -0.49 116.57 124.78 3hvy h LYS 35 Ca 0.24 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.77 3hvy h LYS 35 Cb -0.01 -0.22 -0.00 0.00 -0.57 0.00 0.00 32.23 31.43 3hvy h LYS 35 CO -0.04 0.65 0.04 -0.92 -2.06 0.00 0.00 179.45 177.12 3hvy h TYR 36 N 1.01 0.16 -0.07 -1.35 5.03 -0.79 -2.85 116.97 118.12 3hvy h TYR 36 Ca 0.36 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.61 3hvy h TYR 36 Cb 0.13 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 3hvy h TYR 36 CO -0.00 0.26 -0.17 1.88 -1.32 0.00 0.00 178.16 178.81 3hvy h TYR 37 N 0.01 0.11 -0.07 -3.82 0.05 -0.86 -2.13 116.97 110.25 3hvy h TYR 37 Ca 0.03 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 3hvy h TYR 37 Cb 0.17 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 3hvy h TYR 37 CO -0.02 0.28 -0.10 -0.44 -1.05 0.00 0.00 178.16 176.83 3hvy h ASP 38 N 0.10 0.10 -0.40 3.88 3.32 -0.89 0.04 116.42 122.57 3hvy h ASP 38 Ca 0.02 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 3hvy h ASP 38 Cb 0.37 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3hvy h ASP 38 CO 0.02 0.22 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.32 3hvy h GLU 39 N 0.11 0.79 -0.56 3.56 5.08 -1.16 -1.60 114.58 120.80 3hvy h GLU 39 Ca 0.02 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.01 3hvy h GLU 39 Cb 0.26 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3hvy h GLU 39 CO 0.02 0.93 0.11 0.82 -1.00 0.00 0.00 179.01 179.89 3hvy h ILE 40 N 0.60 1.25 -0.43 3.13 2.04 -1.40 -2.66 117.51 120.04 3hvy h ILE 40 Ca 0.10 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 3hvy h ILE 40 Cb 0.65 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 3hvy h ILE 40 CO 0.04 0.34 0.22 -0.09 0.00 0.00 0.00 178.15 178.67 3hvy h ARG 41 N 0.82 0.61 -0.43 2.37 2.43 -0.86 -1.59 114.38 117.73 3hvy h ARG 41 Ca 0.17 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3hvy h ARG 41 Cb 0.38 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 3hvy h ARG 41 CO 0.01 0.51 0.23 1.49 -1.51 0.00 0.00 179.97 180.69 3hvy h GLU 42 N 0.56 0.44 -0.26 0.20 4.81 -1.24 0.87 114.58 119.97 3hvy h GLU 42 Ca 0.15 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3hvy h GLU 42 Cb 0.08 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3hvy h GLU 42 CO -0.02 0.29 0.17 -0.92 -0.73 0.00 0.00 179.01 177.80 3hvy h TYR 43 N 0.46 0.32 -0.39 0.92 3.20 -1.22 -2.10 116.97 118.16 3hvy h TYR 43 Ca 0.18 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.97 3hvy h TYR 43 Cb 0.07 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3hvy h TYR 43 CO -0.09 0.20 -0.14 -0.91 -1.64 0.00 0.00 178.16 175.58 3hvy h ASN 44 N 0.34 0.69 -0.65 -2.11 2.35 -1.04 0.06 115.58 115.23 3hvy h ASN 44 Ca 0.09 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 3hvy h ASN 44 Cb -0.04 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 3hvy h ASN 44 CO -0.02 0.85 0.31 -0.61 -1.65 0.00 0.00 177.43 176.31 3hvy h GLN 45 N 0.63 0.94 -0.51 0.81 5.75 -0.68 -0.81 115.11 121.24 3hvy h GLN 45 Ca 0.11 -0.14 -0.07 0.00 -0.15 0.00 0.00 58.65 58.39 3hvy h GLN 45 Cb 0.60 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 3hvy h GLN 45 CO 0.04 0.76 0.04 1.25 -2.65 0.00 0.00 178.83 178.27 3hvy h LEU 46 N 0.90 0.85 -0.89 -2.39 5.85 -0.85 -0.87 115.31 117.92 3hvy h LEU 46 Ca 0.22 -0.29 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 3hvy h LEU 46 Cb 0.13 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3hvy h LEU 46 CO -0.03 0.92 -0.29 0.07 -0.34 0.00 0.00 178.44 178.77 3hvy h LYS 47 N 0.74 0.48 -0.17 1.25 2.10 -0.66 0.15 116.57 120.47 3hvy h LYS 47 Ca 0.15 -0.20 -0.03 0.00 -2.00 0.00 0.00 60.65 58.57 3hvy h LYS 47 Cb 0.46 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.77 3hvy h LYS 47 CO 0.02 0.72 -0.02 0.28 -2.00 0.00 0.00 179.45 178.45 3hvy h VAL 48 N 0.42 1.27 -0.42 0.07 2.07 -1.04 -2.60 116.25 116.02 3hvy h VAL 48 Ca 0.06 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 66.69 3hvy h VAL 48 Cb 0.72 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 3hvy h VAL 48 CO 0.06 0.28 0.17 0.25 0.02 0.00 0.00 177.57 178.34 3hvy h LEU 49 N 0.04 0.21 -1.20 2.57 5.85 -0.71 -1.55 115.31 120.51 3hvy h LEU 49 Ca 0.05 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3hvy h LEU 49 Cb 0.43 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3hvy h LEU 49 CO 0.01 0.16 0.55 0.50 -0.34 0.00 0.00 178.44 179.32 3hvy h LYS 50 N 0.35 1.03 -0.39 1.25 1.63 -0.70 -1.13 116.57 118.61 3hvy h LYS 50 Ca 0.19 -0.06 -0.11 0.00 -0.85 0.00 0.00 60.65 59.82 3hvy h LYS 50 Cb 0.15 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.54 3hvy h LYS 50 CO -0.17 0.68 -0.22 0.00 -3.45 0.00 0.00 179.45 176.29 3hvy h ALA 51 N 1.51 0.90 -0.24 5.00 0.00 -0.91 0.29 119.26 125.80 3hvy h ALA 51 Ca 0.32 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hvy h ALA 51 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3hvy h ALA 51 CO -0.09 0.62 0.11 0.74 0.00 0.00 0.00 179.25 180.64 3hvy h PHE 52 N 0.66 0.34 -0.50 0.00 -1.00 -0.76 -2.38 116.94 113.31 3hvy h PHE 52 Ca 0.09 -0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.75 3hvy h PHE 52 Cb 0.72 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 40.16 3hvy h PHE 52 CO 0.04 0.33 -0.11 1.96 -1.61 0.00 0.00 178.31 178.92 3hvy h GLN 53 N 0.25 0.93 0.00 1.51 4.20 -0.88 -2.25 115.11 118.87 3hvy h GLN 53 Ca 0.08 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.40 3hvy h GLN 53 Cb 0.12 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3hvy h GLN 53 CO -0.01 0.98 -0.29 0.93 -0.67 0.00 0.00 178.83 179.78 3hvy h GLU 54 N 0.83 0.00 -0.02 1.46 5.08 -0.83 -1.71 114.58 119.39 3hvy h GLU 54 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3hvy h GLU 54 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3hvy h GLU 54 CO 0.04 0.29 -0.03 -1.91 -1.00 0.00 0.00 179.01 176.40 3hvy n GLU 55 N -3.79 1.68 -3.66 2.33 4.07 -0.91 -4.95 120.64 115.41 3hvy n GLU 55 Ca -0.01 -1.07 -0.22 0.00 -0.06 0.00 0.00 57.16 55.80 3hvy n GLU 55 Cb 0.38 -1.48 0.05 0.00 -0.06 0.00 0.00 31.44 30.33 3hvy n GLU 55 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3hvy n ARG 56 N 0.27 -5.56 -1.79 5.31 5.12 -0.64 -4.89 116.66 114.47 3hvy n ARG 56 Ca 0.17 0.68 -0.41 0.00 -1.93 0.00 0.00 57.85 56.36 3hvy n ARG 56 Cb 0.39 -5.41 -0.01 0.00 -1.16 0.00 0.00 32.46 26.27 3hvy n ARG 56 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3hvy s ILE 57 N -3.53 2.07 0.22 0.55 -1.09 -0.98 -4.98 121.20 113.46 3hvy s ILE 57 Ca 0.12 0.06 -0.01 0.00 -2.23 0.00 0.00 60.65 58.59 3hvy s ILE 57 Cb -0.06 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.75 3hvy s ILE 57 CO 0.79 0.01 0.18 -0.55 -1.23 0.00 0.00 174.94 174.14 3hvy s SER 58 N 0.21 0.32 0.58 3.58 0.15 -1.26 -4.99 113.70 112.29 3hvy s SER 58 Ca 0.59 -1.40 0.27 0.00 0.70 0.00 0.00 55.95 56.11 3hvy s SER 58 Cb -0.47 0.42 1.72 0.00 -1.71 0.00 0.00 66.02 65.98 3hvy s SER 58 CO 0.55 -0.90 2.23 -0.33 1.20 0.00 0.00 173.24 175.98 3hvy h GLU 59 N 2.53 0.00 0.00 5.44 5.08 -1.99 -0.98 114.58 124.66 3hvy h GLU 59 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3hvy h GLU 59 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3hvy h GLU 59 CO 0.49 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.37 3hvy n SER 60 N -3.97 0.49 -0.00 1.42 3.41 -1.26 -1.31 113.62 112.40 3hvy n SER 60 Ca -0.03 0.65 0.14 0.00 -0.26 0.00 0.00 58.87 59.37 3hvy n SER 60 Cb 0.10 -0.74 0.63 0.00 -0.26 0.00 0.00 64.21 63.94 3hvy n SER 60 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hvy n HIS 61 N -2.07 0.00 -2.21 7.33 8.25 -0.37 -4.28 115.22 121.87 3hvy n HIS 61 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 3hvy n HIS 61 Cb 0.16 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.80 3hvy n HIS 61 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3hvy n PHE 62 N -1.47 3.13 -1.77 4.41 3.72 -0.43 -3.91 117.46 121.14 3hvy n PHE 62 Ca 0.08 -2.84 -0.30 0.00 -0.05 0.00 0.00 57.45 54.33 3hvy n PHE 62 Cb 0.33 -2.10 0.04 0.00 -0.94 0.00 0.00 39.48 36.82 3hvy n PHE 62 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3hvy s THR 63 N 1.08 3.88 -0.39 4.37 -4.23 -1.26 -4.87 115.64 114.22 3hvy s THR 63 Ca 0.41 0.61 0.11 0.00 -1.18 0.00 0.00 61.69 61.65 3hvy s THR 63 Cb 0.10 -3.51 0.35 0.00 1.34 0.00 0.00 72.50 70.78 3hvy s THR 63 CO -0.02 -0.80 0.75 -3.20 -0.54 0.00 0.00 174.62 170.82 3hvy n ASN 64 N -3.03 1.22 -4.86 3.99 5.15 -1.26 -4.22 115.26 112.26 3hvy n ASN 64 Ca 0.07 -3.08 -0.31 0.00 -0.60 0.00 0.00 54.58 50.66 3hvy n ASN 64 Cb 0.55 -0.61 0.02 0.00 -0.53 0.00 0.00 39.78 39.21 3hvy n ASN 64 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3hvy s SER 65 N -2.52 6.00 0.26 1.20 1.04 -1.26 -4.87 113.70 113.55 3hvy s SER 65 Ca 0.41 1.46 0.01 0.00 0.48 0.00 0.00 55.95 58.31 3hvy s SER 65 Cb 0.34 -2.46 -0.05 0.00 0.10 0.00 0.00 66.02 63.95 3hvy s SER 65 CO -0.09 -1.02 0.11 -0.94 0.98 0.00 0.00 173.24 172.28 3hvy s SER 66 N -4.09 1.18 1.15 7.02 1.04 -1.26 -4.25 113.70 114.49 3hvy s SER 66 Ca 0.56 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 55.57 3hvy s SER 66 Cb -0.12 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.23 3hvy s SER 66 CO 0.54 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.60 3hvy n GLY 67 N -0.47 3.19 0.28 7.32 0.00 -1.26 -1.42 105.19 112.82 3hvy n GLY 67 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.10 3hvy n GLY 67 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3hvy h TYR 68 N 0.00 0.00 -2.34 1.61 0.05 -1.98 -3.31 116.97 111.00 3hvy h TYR 68 Ca 0.00 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.50 3hvy h TYR 68 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 3hvy h TYR 68 CO 0.00 0.00 -0.37 0.41 -1.05 0.00 0.00 178.16 177.15 3hvy n GLY 69 N -1.45 -0.18 3.74 3.88 0.00 -0.51 0.10 105.19 110.76 3hvy n GLY 69 Ca -0.03 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 3hvy n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hvy s TYR 70 N -2.78 3.00 -1.33 1.61 1.51 -1.26 -3.23 117.35 114.87 3hvy s TYR 70 Ca 0.06 0.87 -0.05 0.00 -1.01 0.00 0.00 57.07 56.93 3hvy s TYR 70 Cb -0.03 -3.88 0.02 0.00 -0.11 0.00 0.00 41.96 37.96 3hvy s TYR 70 CO 0.07 -3.02 1.00 -1.71 -1.11 0.00 0.00 175.55 170.78 3hvy n ASN 71 N 2.87 -3.74 -4.54 2.29 5.15 -1.26 -4.94 115.26 111.10 3hvy n ASN 71 Ca 0.09 -0.66 -0.42 0.00 -0.60 0.00 0.00 54.58 52.99 3hvy n ASN 71 Cb 0.39 -4.67 -0.03 0.00 -0.53 0.00 0.00 39.78 34.95 3hvy n ASN 71 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3hvy s ASP 72 N -3.85 6.21 0.32 1.20 -1.08 -1.20 -4.87 116.67 113.40 3hvy s ASP 72 Ca 0.30 -0.43 0.12 0.00 -0.52 0.00 0.00 52.55 52.02 3hvy s ASP 72 Cb -0.14 -2.54 0.52 0.00 -1.46 0.00 0.00 42.92 39.30 3hvy s ASP 72 CO 0.76 -1.71 1.70 0.16 0.52 0.00 0.00 175.17 176.60 3hvy h ILE 73 N 6.04 1.34 -0.36 4.11 3.07 -1.92 -1.33 117.51 128.46 3hvy h ILE 73 Ca -0.28 -1.76 -0.04 0.00 1.55 0.00 0.00 64.86 64.34 3hvy h ILE 73 Cb 1.05 1.96 -0.01 0.00 -0.27 0.00 0.00 36.82 39.55 3hvy h ILE 73 CO 1.25 0.50 0.09 1.23 -1.05 0.00 0.00 178.15 180.16 3hvy h GLY 74 N 1.58 0.62 0.99 0.16 0.00 -1.83 -0.31 103.07 104.29 3hvy h GLY 74 Ca -0.01 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 3hvy h GLY 74 CO 0.07 0.36 -0.01 -0.09 0.00 0.00 0.00 176.54 176.87 3hvy h ARG 75 N 0.43 -0.03 -0.15 4.80 2.43 -1.74 -1.35 114.38 118.77 3hvy h ARG 75 Ca 0.11 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.14 3hvy h ARG 75 Cb 0.30 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3hvy h ARG 75 CO 0.00 -0.01 -0.52 -0.44 -1.51 0.00 0.00 179.97 177.49 3hvy h ASP 76 N -0.04 0.48 0.11 -3.80 3.32 -1.23 -2.66 116.42 112.60 3hvy h ASP 76 Ca -0.00 -0.25 -0.13 0.00 0.02 0.00 0.00 57.03 56.67 3hvy h ASP 76 Cb 0.03 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3hvy h ASP 76 CO 0.00 0.92 -0.47 0.28 -1.72 0.00 0.00 179.24 178.25 3hvy h SER 77 N 0.34 0.46 -0.81 6.45 0.02 -0.96 -2.92 113.55 116.12 3hvy h SER 77 Ca 0.01 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.70 3hvy h SER 77 Cb 1.03 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.41 3hvy h SER 77 CO 0.09 0.86 0.35 0.25 -1.14 0.00 0.00 176.83 177.25 3hvy h LEU 78 N 0.34 1.09 -0.63 5.07 5.85 -1.00 0.08 115.31 126.12 3hvy h LEU 78 Ca 0.02 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.63 3hvy h LEU 78 Cb 0.96 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 3hvy h LEU 78 CO 0.08 0.95 0.36 0.44 -0.34 0.00 0.00 178.44 179.93 3hvy h ASP 79 N 1.17 0.57 -0.65 1.25 3.32 -1.42 -0.55 116.42 120.10 3hvy h ASP 79 Ca 0.27 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 3hvy h ASP 79 Cb 0.17 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3hvy h ASP 79 CO -0.03 0.38 0.36 0.03 -1.72 0.00 0.00 179.24 178.26 3hvy h ARG 80 N 0.70 0.90 -0.29 3.56 3.08 -1.18 -1.61 114.38 119.53 3hvy h ARG 80 Ca 0.27 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 3hvy h ARG 80 Cb 0.10 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3hvy h ARG 80 CO -0.14 0.68 0.11 0.28 -1.07 0.00 0.00 179.97 179.83 3hvy h VAL 81 N 0.88 1.18 -0.65 2.04 2.07 -0.50 -0.67 116.25 120.60 3hvy h VAL 81 Ca 0.23 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.20 3hvy h VAL 81 Cb 0.03 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3hvy h VAL 81 CO -0.04 0.19 0.42 1.88 0.02 0.00 0.00 177.57 180.05 3hvy h TYR 82 N 0.32 0.80 -0.66 1.57 -1.99 -0.98 -0.52 116.97 115.52 3hvy h TYR 82 Ca 0.10 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.83 3hvy h TYR 82 Cb 0.19 -0.27 -0.03 0.00 2.00 0.00 0.00 36.73 38.62 3hvy h TYR 82 CO -0.00 0.49 0.33 0.00 -0.00 0.00 0.00 178.16 178.99 3hvy h ALA 83 N 1.25 1.35 -0.02 3.88 0.00 -0.88 0.42 119.26 125.26 3hvy h ALA 83 Ca 0.24 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hvy h ALA 83 Cb -0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 3hvy h ALA 83 CO -0.06 0.52 0.01 -0.97 0.00 0.00 0.00 179.25 178.74 3hvy h ASN 84 N 0.92 0.03 -0.56 0.00 -0.73 -0.68 0.77 115.58 115.33 3hvy h ASN 84 Ca 0.23 -0.23 0.04 0.00 1.87 0.00 0.00 56.30 58.22 3hvy h ASN 84 Cb 0.06 -0.01 -0.05 0.00 0.27 0.00 0.00 38.32 38.60 3hvy h ASN 84 CO -0.03 0.25 0.30 0.40 -0.37 0.00 0.00 177.43 177.98 3hvy h ILE 85 N -0.19 0.98 -0.01 2.57 2.04 -0.43 -2.17 117.51 120.31 3hvy h ILE 85 Ca 0.01 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3hvy h ILE 85 Cb 0.23 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3hvy h ILE 85 CO 0.00 0.11 -0.14 0.49 0.00 0.00 0.00 178.15 178.61 3hvy n PHE 86 N -4.83 0.00 -3.52 1.37 3.72 0.08 -4.94 117.46 109.33 3hvy n PHE 86 Ca 0.06 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.27 3hvy n PHE 86 Cb 0.13 -0.13 0.07 0.00 -0.94 0.00 0.00 39.48 38.61 3hvy n PHE 86 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3hvy n ASN 87 N -0.73 -2.01 -4.52 4.37 3.02 0.08 -4.29 115.26 111.18 3hvy n ASN 87 Ca 0.15 -0.70 -0.25 0.00 -0.03 0.00 0.00 54.58 53.74 3hvy n ASN 87 Cb 0.30 -4.72 -0.10 0.00 -0.61 0.00 0.00 39.78 34.64 3hvy n ASN 87 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3hvy s THR 88 N -3.47 2.25 0.20 3.41 -4.23 -0.16 -4.85 115.64 108.78 3hvy s THR 88 Ca 0.03 -2.24 -0.06 0.00 -1.18 0.00 0.00 61.69 58.24 3hvy s THR 88 Cb -0.01 -2.56 0.03 0.00 1.34 0.00 0.00 72.50 71.31 3hvy s THR 88 CO 0.76 -0.25 1.62 -0.33 -0.54 0.00 0.00 174.62 175.87 3hvy h GLU 89 N 2.09 0.85 -4.14 3.99 5.08 -1.82 -3.42 114.58 117.22 3hvy h GLU 89 Ca -0.41 -0.34 -0.14 0.00 -1.00 0.00 0.00 59.36 57.47 3hvy h GLU 89 Cb 1.25 -0.04 -0.14 0.00 0.50 0.00 0.00 28.75 30.32 3hvy h GLU 89 CO 0.68 0.97 -0.47 -1.12 -1.00 0.00 0.00 179.01 178.07 3hvy s SER 90 N -6.73 0.16 0.09 1.42 0.01 0.01 -4.82 113.70 103.85 3hvy s SER 90 Ca -0.10 -1.03 -0.15 0.00 1.31 0.00 0.00 55.95 55.98 3hvy s SER 90 Cb 0.13 0.37 0.03 0.00 0.21 0.00 0.00 66.02 66.76 3hvy s SER 90 CO 0.85 -0.82 0.35 0.00 0.41 0.00 0.00 173.24 174.02 3hvy s ALA 91 N -4.01 -0.77 -0.24 1.44 0.00 -1.26 -1.23 121.76 115.69 3hvy s ALA 91 Ca 0.21 -0.09 -0.04 0.00 0.00 0.00 0.00 51.96 52.03 3hvy s ALA 91 Cb 0.05 0.55 0.09 0.00 0.00 0.00 0.00 23.12 23.81 3hvy s ALA 91 CO 0.01 -0.56 0.15 0.12 0.00 0.00 0.00 175.76 175.49 3hvy s PHE 92 N -3.44 0.08 -0.17 0.00 5.36 0.14 -4.77 117.98 115.17 3hvy s PHE 92 Ca 0.01 -0.42 0.01 0.00 -0.96 0.00 0.00 56.93 55.57 3hvy s PHE 92 Cb 0.02 -0.68 0.01 0.00 -0.34 0.00 0.00 43.02 42.03 3hvy s PHE 92 CO -0.09 -0.70 -0.18 0.08 -1.46 0.00 0.00 175.22 172.87 3hvy s VAL 93 N 2.18 2.24 -0.03 3.12 1.01 -1.26 -0.79 120.40 126.87 3hvy s VAL 93 Ca 0.06 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 3hvy s VAL 93 Cb -0.16 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3hvy s VAL 93 CO -0.23 0.53 0.17 -0.13 0.00 0.00 0.00 175.10 175.44 3hvy s ARG 94 N 1.19 0.38 0.09 2.72 1.81 -0.74 -4.89 118.95 119.51 3hvy s ARG 94 Ca 0.02 -0.09 0.20 0.00 -1.72 0.00 0.00 55.73 54.14 3hvy s ARG 94 Cb -0.14 0.17 0.82 0.00 -0.45 0.00 0.00 34.95 35.35 3hvy s ARG 94 CO -0.09 -0.08 1.62 -0.35 -0.68 0.00 0.00 175.30 175.72 3hvy n PRO 95 N 2.11 0.08 0.22 3.54 -0.04 -1.26 -1.50 135.00 138.15 3hvy n PRO 95 Ca -0.18 0.27 0.15 0.00 -0.04 0.00 0.00 63.50 63.70 3hvy n PRO 95 Cb 0.57 -1.63 0.58 0.00 -0.04 0.00 0.00 33.50 32.98 3hvy n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hvy h HIS 96 N 0.00 0.00 -3.28 0.54 3.86 -1.94 -3.34 115.15 111.00 3hvy h HIS 96 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 3hvy h HIS 96 Cb 0.35 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.84 3hvy h HIS 96 CO 0.00 0.00 0.64 -0.06 0.86 0.00 0.00 177.93 179.37 3hvy s PHE 97 N -3.51 3.31 -0.36 2.45 0.08 -1.22 -4.91 117.98 113.83 3hvy s PHE 97 Ca 0.03 1.20 0.23 0.00 0.12 0.00 0.00 56.93 58.51 3hvy s PHE 97 Cb 0.09 -3.56 0.21 0.00 -0.57 0.00 0.00 43.02 39.19 3hvy s PHE 97 CO 0.51 -1.78 1.39 -0.39 -0.10 0.00 0.00 175.22 174.85 3hvy h VAL 98 N 3.99 0.01 -2.43 -0.44 -1.51 -1.88 -3.04 116.25 110.95 3hvy h VAL 98 Ca -0.44 -1.01 0.15 0.00 -1.23 0.00 0.00 66.70 64.17 3hvy h VAL 98 Cb 1.21 1.81 -0.03 0.00 -2.13 0.00 0.00 31.29 32.16 3hvy h VAL 98 CO 0.80 0.00 0.53 -0.46 -1.23 0.00 0.00 177.57 177.21 3hvy n ASN 99 N -2.94 -1.51 -0.17 4.19 0.23 -1.26 -4.80 115.26 109.00 3hvy n ASN 99 Ca 0.02 -1.78 -0.03 0.00 -0.53 0.00 0.00 54.58 52.26 3hvy n ASN 99 Cb 0.54 2.46 0.16 0.00 -2.08 0.00 0.00 39.78 40.86 3hvy n ASN 99 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3hvy h GLY 100 N 1.74 0.99 1.42 4.83 0.00 -1.84 -2.79 103.07 107.42 3hvy h GLY 100 Ca -0.24 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.54 3hvy h GLY 100 CO 0.32 0.52 0.38 -0.84 0.00 0.00 0.00 176.54 176.92 3hvy h THR 101 N 0.89 1.15 -0.15 4.70 2.02 -1.96 -1.14 112.91 118.42 3hvy h THR 101 Ca 0.20 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3hvy h THR 101 Cb 0.26 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3hvy h THR 101 CO -0.01 0.15 0.09 -0.74 0.37 0.00 0.00 175.52 175.38 3hvy h HIS 102 N 0.79 0.17 -0.40 3.16 6.17 -1.89 0.30 115.15 123.45 3hvy h HIS 102 Ca 0.21 0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.28 3hvy h HIS 102 Cb -0.08 -0.06 -0.02 0.00 2.52 0.00 0.00 27.41 29.77 3hvy h HIS 102 CO 0.00 0.10 0.18 0.00 0.71 0.00 0.00 177.93 178.92 3hvy h ALA 103 N 1.06 0.52 0.17 5.26 0.00 -1.20 -0.41 119.26 124.66 3hvy h ALA 103 Ca 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hvy h ALA 103 Cb -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3hvy h ALA 103 CO -0.02 0.10 -0.08 0.82 0.00 0.00 0.00 179.25 180.07 3hvy h ILE 104 N 0.51 0.85 -0.70 0.00 2.04 -1.11 -2.01 117.51 117.08 3hvy h ILE 104 Ca 0.14 -0.05 0.12 0.00 1.00 0.00 0.00 64.86 66.06 3hvy h ILE 104 Cb 0.15 0.88 -0.08 0.00 -0.74 0.00 0.00 36.82 37.03 3hvy h ILE 104 CO -0.01 0.01 0.28 1.23 0.00 0.00 0.00 178.15 179.66 3hvy h GLY 105 N -0.25 1.03 1.02 5.37 0.00 -0.20 -1.60 103.07 108.44 3hvy h GLY 105 Ca -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3hvy h GLY 105 CO 0.04 -0.04 0.45 0.00 0.00 0.00 0.00 176.54 176.98 3hvy h ALA 106 N 1.48 1.05 -0.79 3.60 0.00 -0.85 0.63 119.26 124.38 3hvy h ALA 106 Ca 0.37 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3hvy h ALA 106 Cb 0.49 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3hvy h ALA 106 CO -0.35 0.56 0.34 0.00 0.00 0.00 0.00 179.25 179.81 3hvy h ALA 107 N 1.24 1.12 0.24 0.00 0.00 -0.79 0.57 119.26 121.64 3hvy h ALA 107 Ca 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hvy h ALA 107 Cb 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3hvy h ALA 107 CO -0.05 0.64 -0.11 -0.07 0.00 0.00 0.00 179.25 179.66 3hvy h LEU 108 N 1.13 -0.27 -0.32 0.00 3.38 -0.88 -3.13 115.31 115.22 3hvy h LEU 108 Ca 0.27 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3hvy h LEU 108 Cb 0.17 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3hvy h LEU 108 CO -0.03 0.23 0.01 -0.26 0.09 0.00 0.00 178.44 178.49 3hvy h PHE 109 N -0.92 0.01 -0.39 1.13 0.04 -0.90 -2.29 116.94 113.60 3hvy h PHE 109 Ca -0.03 0.02 0.11 0.00 2.80 0.00 0.00 57.97 60.87 3hvy h PHE 109 Cb 0.49 0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 3hvy h PHE 109 CO 0.06 -0.04 0.29 0.78 -0.60 0.00 0.00 178.31 178.80 3hvy h GLY 110 N 0.11 0.00 -1.87 -1.45 0.00 -0.97 -2.41 103.07 96.48 3hvy h GLY 110 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3hvy h GLY 110 CO -0.25 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.99 3hvy n ASN 111 N -4.36 4.03 -4.18 0.19 3.02 -0.90 -4.49 115.26 108.58 3hvy n ASN 111 Ca 0.06 -2.83 -0.17 0.00 -0.03 0.00 0.00 54.58 51.62 3hvy n ASN 111 Cb 0.48 -0.52 -0.11 0.00 -0.61 0.00 0.00 39.78 39.02 3hvy n ASN 111 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hvy s LEU 112 N -2.50 2.34 0.12 3.41 1.43 -0.91 -4.90 118.68 117.67 3hvy s LEU 112 Ca 0.41 -0.70 -0.00 0.00 -1.03 0.00 0.00 54.13 52.81 3hvy s LEU 112 Cb 0.32 -0.44 -0.04 0.00 0.03 0.00 0.00 46.19 46.05 3hvy s LEU 112 CO 0.12 -0.15 0.03 -0.13 0.23 0.00 0.00 176.35 176.44 3hvy s ARG 113 N -2.20 0.91 0.36 1.70 1.81 -1.26 -4.91 118.95 115.36 3hvy s ARG 113 Ca 0.02 -1.42 -0.27 0.00 -1.72 0.00 0.00 55.73 52.34 3hvy s ARG 113 Cb -0.07 0.12 -0.12 0.00 -0.45 0.00 0.00 34.95 34.43 3hvy s ARG 113 CO 0.02 -0.20 1.15 -2.30 -0.68 0.00 0.00 175.30 173.29 3hvy n PRO 114 N -0.09 1.73 -0.50 3.54 -0.02 -1.25 -1.58 135.00 136.83 3hvy n PRO 114 Ca -0.07 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3hvy n PRO 114 Cb 0.63 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3hvy n PRO 114 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3hvy n ASN 115 N 0.71 0.00 -4.83 2.55 3.02 0.83 -4.93 115.26 112.61 3hvy n ASN 115 Ca 0.07 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.30 3hvy n ASN 115 Cb 0.37 -0.22 -0.00 0.00 -0.61 0.00 0.00 39.78 39.31 3hvy n ASN 115 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3hvy s ASP 116 N -3.31 6.14 0.31 6.41 1.01 -0.61 -4.82 116.67 121.80 3hvy s ASP 116 Ca 0.00 1.64 0.00 0.00 0.71 0.00 0.00 52.55 54.90 3hvy s ASP 116 Cb 0.00 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.42 3hvy s ASP 116 CO 0.00 -0.93 0.03 0.41 0.21 0.00 0.00 175.17 174.90 3hvy n THR 117 N -2.08 0.00 -3.85 -1.27 -1.04 -0.28 -0.38 114.28 105.38 3hvy n THR 117 Ca 0.07 -1.44 -0.16 0.00 -2.04 0.00 0.00 64.05 60.48 3hvy n THR 117 Cb 0.54 0.22 -0.16 0.00 -1.82 0.00 0.00 70.33 69.11 3hvy n THR 117 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3hvy s SER 120 N -2.74 0.27 0.00 8.00 0.01 -0.31 -1.59 113.70 117.34 3hvy s SER 120 Ca 0.03 0.01 0.13 0.00 1.31 0.00 0.00 55.95 57.42 3hvy s SER 120 Cb -0.00 -0.15 0.11 0.00 0.21 0.00 0.00 66.02 66.19 3hvy s SER 120 CO 0.02 -0.12 0.92 2.30 0.41 0.00 0.00 173.24 176.77 3hvy n ILE 121 N 4.17 0.02 -1.54 1.44 -5.35 -0.64 -0.50 119.36 116.96 3hvy n ILE 121 Ca -0.27 -0.51 -0.20 0.00 -0.27 0.00 0.00 62.75 61.50 3hvy n ILE 121 Cb 0.50 1.25 0.12 0.00 -1.74 0.00 0.00 39.64 39.77 3hvy n ILE 121 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hvy n GLY 123 N -0.97 0.94 3.39 0.00 0.00 -0.41 -4.79 105.19 103.34 3hvy n GLY 123 Ca 0.47 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 46.29 3hvy n GLY 123 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hvy s PRO 125 N 0.00 1.45 0.25 1.61 0.02 -1.26 -4.81 135.00 132.27 3hvy s PRO 125 Ca 0.00 -1.72 -0.29 0.00 0.02 0.00 0.00 61.00 59.02 3hvy s PRO 125 Cb 0.00 -1.03 -0.15 0.00 0.02 0.00 0.00 34.50 33.34 3hvy s PRO 125 CO 0.00 0.04 0.90 2.48 -0.33 0.00 0.00 177.00 180.10 3hvy n TYR 126 N -0.50 0.82 -0.20 6.54 4.11 -1.26 -4.84 117.16 121.83 3hvy n TYR 126 Ca -0.06 0.77 0.16 0.00 -0.00 0.00 0.00 57.90 58.77 3hvy n TYR 126 Cb 0.63 -2.18 0.49 0.00 -0.00 0.00 0.00 39.34 38.28 3hvy n TYR 126 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.86 176.42 3hvy h ASP 127 N 1.90 0.44 0.48 9.48 3.32 -2.03 -1.12 116.42 128.89 3hvy h ASP 127 Ca -0.37 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3hvy h ASP 127 Cb 1.37 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3hvy h ASP 127 CO 0.61 0.21 0.00 0.71 -1.72 0.00 0.00 179.24 179.05 3hvy h THR 128 N 0.46 0.00 0.00 0.35 1.35 -2.05 -1.95 112.91 111.07 3hvy h THR 128 Ca 0.41 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 3hvy h THR 128 Cb 0.90 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3hvy h THR 128 CO -0.15 0.00 -0.15 0.18 -0.25 0.00 0.00 175.52 175.15 3hvy n LEU 129 N -3.07 0.16 -0.34 3.87 4.77 -0.42 -4.35 117.00 117.61 3hvy n LEU 129 Ca -0.01 0.35 -0.03 0.00 -0.03 0.00 0.00 56.01 56.29 3hvy n LEU 129 Cb 0.18 -0.42 0.09 0.00 -2.33 0.00 0.00 43.42 40.94 3hvy n LEU 129 CO 0.23 0.03 1.25 0.45 -1.33 0.00 0.00 177.39 178.03 3hvy h HIS 130 N 0.00 1.18 -0.27 -1.77 3.86 -1.48 -1.36 115.15 115.31 3hvy h HIS 130 Ca 0.00 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.09 3hvy h HIS 130 Cb 0.50 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 3hvy h HIS 130 CO 0.00 0.76 -0.40 -0.44 0.86 0.00 0.00 177.93 178.71 3hvy h ASP 131 N 1.26 0.69 -0.58 2.45 3.32 -1.79 0.41 116.42 122.18 3hvy h ASP 131 Ca 0.34 -0.31 0.02 0.00 0.02 0.00 0.00 57.03 57.10 3hvy h ASP 131 Cb -0.12 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.21 3hvy h ASP 131 CO -0.07 1.01 0.36 0.40 -1.72 0.00 0.00 179.24 179.21 3hvy h ILE 132 N 0.53 1.08 -0.14 0.35 2.04 -1.64 -2.75 117.51 116.98 3hvy h ILE 132 Ca 0.04 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 3hvy h ILE 132 Cb 0.92 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3hvy h ILE 132 CO 0.08 0.13 -0.16 0.40 0.00 0.00 0.00 178.15 178.60 3hvy h ILE 133 N 0.71 1.36 -0.03 -0.67 2.04 -1.16 0.36 117.51 120.12 3hvy h ILE 133 Ca 0.23 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.74 3hvy h ILE 133 Cb 0.00 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3hvy h ILE 133 CO -0.09 0.39 0.00 0.61 0.00 0.00 0.00 178.15 179.06 3hvy n GLY 134 N 0.25 1.21 0.00 5.37 0.00 0.14 -1.34 105.19 110.83 3hvy n GLY 134 Ca -0.06 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3hvy n GLY 134 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hvy n ASP 136 N -0.00 0.00 0.00 1.61 -0.08 -1.26 -4.78 116.55 112.04 3hvy n ASP 136 Ca 0.00 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.38 3hvy n ASP 136 Cb 0.00 0.00 0.57 0.00 2.34 0.00 0.00 41.12 44.03 3hvy n ASP 136 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3hvy n ASP 137 N 0.00 0.00 -0.47 1.67 5.75 -1.26 -2.19 116.55 120.05 3hvy n ASP 137 Ca 0.00 -0.64 0.13 0.00 -0.01 0.00 0.00 54.79 54.27 3hvy n ASP 137 Cb 0.00 0.00 0.28 0.00 -1.03 0.00 0.00 41.12 40.37 3hvy n ASP 137 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3hvy n SER 138 N -0.98 1.69 -4.59 -1.12 3.41 -1.26 -4.90 113.62 105.86 3hvy n SER 138 Ca 0.14 -1.36 -0.34 0.00 -0.26 0.00 0.00 58.87 57.06 3hvy n SER 138 Cb 0.07 0.17 -0.11 0.00 -0.26 0.00 0.00 64.21 64.07 3hvy n SER 138 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hvy s LYS 139 N -2.30 2.77 -0.46 4.33 1.02 -0.93 -5.08 119.74 119.08 3hvy s LYS 139 Ca 0.27 -0.54 -0.09 0.00 0.02 0.00 0.00 55.97 55.63 3hvy s LYS 139 Cb 0.19 -2.61 0.11 0.00 -0.52 0.00 0.00 37.83 35.01 3hvy s LYS 139 CO 0.46 0.67 0.33 0.21 -0.92 0.00 0.00 175.35 176.10 3hvy s LYS 140 N -0.84 2.51 0.00 1.68 2.20 -1.26 -4.89 119.74 119.14 3hvy s LYS 140 Ca 0.13 -1.71 0.00 0.00 -0.36 0.00 0.00 55.97 54.03 3hvy s LYS 140 Cb -0.11 -3.91 0.00 0.00 -1.51 0.00 0.00 37.83 32.30 3hvy s LYS 140 CO 0.02 -1.16 0.63 1.33 -0.36 0.00 0.00 175.35 175.81 3hvy n VAL 141 N 4.92 0.37 -2.48 4.02 0.24 -1.26 -5.01 118.33 119.13 3hvy n VAL 141 Ca -0.08 -0.42 -0.10 0.00 -2.04 0.00 0.00 64.34 61.70 3hvy n VAL 141 Cb 0.41 0.92 0.01 0.00 -1.47 0.00 0.00 33.84 33.71 3hvy n VAL 141 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hvy n GLY 142 N -0.19 0.08 3.73 7.63 0.00 -1.26 -5.01 105.19 110.17 3hvy n GLY 142 Ca 0.00 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 3hvy n GLY 142 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hvy s SER 143 N -2.77 3.30 0.26 1.61 1.04 -1.26 -4.86 113.70 111.01 3hvy s SER 143 Ca 0.10 1.24 -0.03 0.00 0.48 0.00 0.00 55.95 57.74 3hvy s SER 143 Cb -0.04 -1.91 0.42 0.00 0.10 0.00 0.00 66.02 64.59 3hvy s SER 143 CO 0.12 -2.72 1.84 -0.07 0.98 0.00 0.00 173.24 173.40 3hvy h LEU 144 N -1.61 0.86 -0.80 2.42 3.38 -0.28 -0.75 115.31 118.54 3hvy h LEU 144 Ca -0.51 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 3hvy h LEU 144 Cb 1.31 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 3hvy h LEU 144 CO 0.58 0.51 0.48 -0.09 0.09 0.00 0.00 178.44 180.01 3hvy h ARG 145 N 0.97 1.08 0.00 1.13 2.43 -1.30 -0.69 114.38 118.00 3hvy h ARG 145 Ca 0.43 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.49 3hvy h ARG 145 Cb 0.31 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3hvy h ARG 145 CO -0.22 0.76 -0.07 0.93 -1.51 0.00 0.00 179.97 179.85 3hvy h GLU 146 N 1.09 0.00 -0.66 0.20 5.08 -1.44 -0.24 114.58 118.61 3hvy h GLU 146 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3hvy h GLU 146 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3hvy h GLU 146 CO -0.05 0.07 0.00 0.66 -1.00 0.00 0.00 179.01 178.69 3hvy n TYR 147 N -3.55 1.62 -1.06 4.33 4.01 -0.69 -4.92 117.16 116.89 3hvy n TYR 147 Ca -0.02 -0.57 -0.02 0.00 -0.16 0.00 0.00 57.90 57.13 3hvy n TYR 147 Cb 0.20 -0.41 -0.01 0.00 -0.31 0.00 0.00 39.34 38.81 3hvy n TYR 147 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hvy n GLY 148 N 0.56 0.55 3.65 2.72 0.00 -0.10 -3.81 105.19 108.76 3hvy n GLY 148 Ca 0.22 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 3hvy n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hvy s VAL 149 N -1.97 4.99 0.58 1.61 1.01 -0.35 -0.12 120.40 126.14 3hvy s VAL 149 Ca 0.00 1.24 -0.13 0.00 0.00 0.00 0.00 61.98 63.09 3hvy s VAL 149 Cb 0.00 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 3hvy s VAL 149 CO 0.00 0.08 1.01 -0.54 0.00 0.00 0.00 175.10 175.65 3hvy s LYS 150 N 2.10 3.74 -0.02 2.72 1.02 0.48 -3.75 119.74 126.03 3hvy s LYS 150 Ca 0.30 0.83 0.02 0.00 0.02 0.00 0.00 55.97 57.14 3hvy s LYS 150 Cb -0.16 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 3hvy s LYS 150 CO 0.10 -0.45 -0.06 -0.47 -0.92 0.00 0.00 175.35 173.55 3hvy s TYR 151 N -2.96 0.65 0.02 3.18 5.04 -1.26 -4.22 117.35 117.80 3hvy s TYR 151 Ca 0.57 -0.14 0.00 0.00 -2.44 0.00 0.00 57.07 55.06 3hvy s TYR 151 Cb -0.11 -0.48 -0.00 0.00 0.35 0.00 0.00 41.96 41.72 3hvy s TYR 151 CO 0.45 -0.07 0.01 1.63 -1.34 0.00 0.00 175.55 176.22 3hvy n LYS 152 N 3.32 1.00 -3.54 4.97 5.02 -1.26 -5.08 118.16 122.60 3hvy n LYS 152 Ca -0.18 -0.16 -0.05 0.00 -2.02 0.00 0.00 58.31 55.90 3hvy n LYS 152 Cb 0.55 0.08 -0.07 0.00 -0.02 0.00 0.00 35.03 35.58 3hvy n LYS 152 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hvy s VAL 154 N -1.56 -0.78 0.70 -0.18 1.01 0.34 -1.16 120.40 118.77 3hvy s VAL 154 Ca 0.01 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 3hvy s VAL 154 Cb 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.58 3hvy s VAL 154 CO 0.01 0.01 1.22 -1.81 0.00 0.00 0.00 175.10 174.53 3hvy s ASP 155 N 2.71 4.41 0.61 3.32 1.01 -1.26 -1.29 116.67 126.17 3hvy s ASP 155 Ca 0.02 2.39 -0.18 0.00 0.71 0.00 0.00 52.55 55.50 3hvy s ASP 155 Cb -0.13 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.18 3hvy s ASP 155 CO -0.16 -2.12 1.16 -0.76 0.21 0.00 0.00 175.17 173.50 3hvy s LEU 156 N -4.89 3.58 -0.10 1.23 1.43 -1.26 -4.26 118.68 114.41 3hvy s LEU 156 Ca 0.76 2.23 0.02 0.00 -1.03 0.00 0.00 54.13 56.10 3hvy s LEU 156 Cb -0.30 -4.58 0.01 0.00 0.03 0.00 0.00 46.19 41.35 3hvy s LEU 156 CO 0.43 -1.57 -0.15 -0.75 0.23 0.00 0.00 176.35 174.53 3hvy s LYS 157 N -3.57 2.17 -1.49 1.70 2.20 0.48 -4.72 119.74 116.51 3hvy s LYS 157 Ca 0.73 -0.55 -0.08 0.00 -0.36 0.00 0.00 55.97 55.71 3hvy s LYS 157 Cb -0.26 -1.81 0.06 0.00 -1.51 0.00 0.00 37.83 34.31 3hvy s LYS 157 CO 0.35 -0.02 0.67 -0.25 -0.36 0.00 0.00 175.35 175.73 3hvy n ASP 158 N 4.06 -2.10 0.00 1.43 8.00 -1.26 -0.61 116.55 126.08 3hvy n ASP 158 Ca -0.20 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.37 3hvy n ASP 158 Cb 0.51 -3.29 0.00 0.00 -0.02 0.00 0.00 41.12 38.33 3hvy n ASP 158 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hvy n GLY 159 N -1.72 1.73 3.49 0.44 0.00 -1.26 -5.00 105.19 102.88 3hvy n GLY 159 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 3hvy n GLY 159 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hvy s LYS 160 N -0.09 1.71 0.20 1.61 0.00 0.23 -4.99 119.74 118.41 3hvy s LYS 160 Ca 0.00 -1.83 -0.32 0.00 0.00 0.00 0.00 55.97 53.82 3hvy s LYS 160 Cb 0.00 -1.70 -0.12 0.00 0.00 0.00 0.00 37.83 36.01 3hvy s LYS 160 CO 0.00 0.25 1.73 0.28 0.00 0.00 0.00 175.35 177.61 3hvy n VAL 161 N -0.67 0.02 -2.57 1.79 0.31 -1.26 -0.38 118.33 115.56 3hvy n VAL 161 Ca -0.05 -0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.84 3hvy n VAL 161 Cb 0.61 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 3hvy n VAL 161 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3hvy n ASP 162 N 4.04 4.94 0.19 4.52 2.03 -1.26 -4.79 116.55 126.22 3hvy n ASP 162 Ca 0.16 -2.97 0.04 0.00 0.52 0.00 0.00 54.79 52.54 3hvy n ASP 162 Cb 0.35 -1.62 0.43 0.00 -0.72 0.00 0.00 41.12 39.56 3hvy n ASP 162 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3hvy h ILE 163 N 4.69 1.18 -0.38 5.18 6.09 -1.95 -1.42 117.51 130.90 3hvy h ILE 163 Ca 0.41 -0.85 -0.11 0.00 -1.37 0.00 0.00 64.86 62.93 3hvy h ILE 163 Cb 0.80 1.41 -0.01 0.00 0.47 0.00 0.00 36.82 39.49 3hvy h ILE 163 CO 1.46 0.25 -0.22 0.78 -3.07 0.00 0.00 178.15 177.35 3hvy h ASN 164 N 0.05 0.75 -0.47 2.19 2.35 -2.00 -1.33 115.58 117.12 3hvy h ASN 164 Ca 0.01 -0.27 -0.12 0.00 -0.55 0.00 0.00 56.30 55.37 3hvy h ASN 164 Cb 0.43 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 3hvy h ASN 164 CO 0.03 0.95 -0.17 0.74 -1.65 0.00 0.00 177.43 177.33 3hvy h THR 165 N 0.65 1.27 -0.22 2.81 2.02 -1.70 -1.84 112.91 115.90 3hvy h THR 165 Ca 0.09 -1.32 0.05 0.00 0.77 0.00 0.00 66.41 66.00 3hvy h THR 165 Cb 0.72 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 68.21 3hvy h THR 165 CO 0.06 0.45 -0.11 0.58 0.37 0.00 0.00 175.52 176.87 3hvy h VAL 166 N 0.80 0.66 -0.74 3.16 2.07 -1.02 0.28 116.25 121.45 3hvy h VAL 166 Ca 0.11 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.58 3hvy h VAL 166 Cb 0.74 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3hvy h VAL 166 CO 0.06 0.00 0.27 0.11 0.02 0.00 0.00 177.57 178.03 3hvy h LYS 167 N -0.08 1.12 -0.63 1.57 1.57 -1.17 -1.46 116.57 117.49 3hvy h LYS 167 Ca 0.12 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3hvy h LYS 167 Cb 0.26 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3hvy h LYS 167 CO -0.27 0.93 0.36 0.93 -0.57 0.00 0.00 179.45 180.84 3hvy h GLU 168 N 1.09 0.87 -0.52 3.15 5.08 -0.54 -1.09 114.58 122.62 3hvy h GLU 168 Ca 0.25 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3hvy h GLU 168 Cb 0.25 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3hvy h GLU 168 CO -0.02 0.64 0.30 0.93 -1.00 0.00 0.00 179.01 179.87 3hvy h GLU 169 N 0.86 0.71 -0.48 2.33 4.39 -0.52 -2.28 114.58 119.60 3hvy h GLU 169 Ca 0.23 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 3hvy h GLU 169 Cb 0.01 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 3hvy h GLU 169 CO -0.04 0.53 0.13 -0.07 -1.16 0.00 0.00 179.01 178.40 3hvy h LEU 170 N 0.69 0.66 -0.78 1.33 3.38 -0.88 0.24 115.31 119.96 3hvy h LEU 170 Ca 0.19 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 3hvy h LEU 170 Cb 0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3hvy h LEU 170 CO -0.03 0.65 -0.15 0.11 0.09 0.00 0.00 178.44 179.10 3hvy h LYS 171 N 0.70 0.76 0.13 1.13 1.57 -0.92 -3.34 116.57 116.61 3hvy h LYS 171 Ca 0.16 -0.27 -0.32 0.00 -1.87 0.00 0.00 60.65 58.34 3hvy h LYS 171 Cb 0.24 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3hvy h LYS 171 CO -0.01 0.87 -1.66 -0.22 -0.57 0.00 0.00 179.45 177.87 3hvy h LYS 172 N 0.68 0.27 -4.50 3.15 3.64 -1.05 -3.45 116.57 115.32 3hvy h LYS 172 Ca 0.11 -0.46 -0.66 0.00 -1.27 0.00 0.00 60.65 58.37 3hvy h LYS 172 Cb 0.64 0.17 -0.40 0.00 -0.41 0.00 0.00 32.23 32.23 3hvy h LYS 172 CO 0.04 1.13 -0.70 0.34 -2.27 0.00 0.00 179.45 177.99 3hvy s ASP 173 N -7.00 4.71 0.00 4.20 -1.08 0.04 -4.95 116.67 112.59 3hvy s ASP 173 Ca -0.12 -2.28 0.27 0.00 -0.52 0.00 0.00 52.55 49.89 3hvy s ASP 173 Cb 0.06 -1.63 1.50 0.00 -1.46 0.00 0.00 42.92 41.39 3hvy s ASP 173 CO 0.84 -0.36 1.94 -0.90 0.52 0.00 0.00 175.17 177.21 3hvy n ASP 174 N 4.09 0.00 0.02 -0.34 3.85 -1.26 -2.71 116.55 120.20 3hvy n ASP 174 Ca 0.04 -0.55 0.14 0.00 -0.71 0.00 0.00 54.79 53.71 3hvy n ASP 174 Cb 0.41 -0.11 0.56 0.00 -1.35 0.00 0.00 41.12 40.63 3hvy n ASP 174 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3hvy n SER 175 N -1.11 0.18 -4.59 -1.12 3.41 -1.26 -4.76 113.62 104.37 3hvy n SER 175 Ca 0.17 0.48 -0.42 0.00 -0.26 0.00 0.00 58.87 58.84 3hvy n SER 175 Cb 0.14 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 63.55 3hvy n SER 175 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hvy s ILE 176 N -3.02 3.60 -0.07 -1.33 1.01 -1.10 -1.12 121.20 119.18 3hvy s ILE 176 Ca 0.13 0.56 0.18 0.00 0.00 0.00 0.00 60.65 61.53 3hvy s ILE 176 Cb 0.18 -3.95 -0.27 0.00 0.01 0.00 0.00 42.46 38.42 3hvy s ILE 176 CO 0.55 -0.70 0.32 0.29 0.00 0.00 0.00 174.94 175.40 3hvy n LYS 177 N 8.52 0.72 -3.77 2.79 4.76 -0.62 -4.84 118.16 125.72 3hvy n LYS 177 Ca 0.19 -0.13 -0.14 0.00 -2.87 0.00 0.00 58.31 55.37 3hvy n LYS 177 Cb 0.48 -1.45 -0.15 0.00 -1.84 0.00 0.00 35.03 32.08 3hvy n LYS 177 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3hvy s LEU 178 N -4.58 1.03 -0.16 -0.35 0.20 -1.22 -1.49 118.68 112.10 3hvy s LEU 178 Ca -0.07 0.19 -0.06 0.00 0.69 0.00 0.00 54.13 54.88 3hvy s LEU 178 Cb 0.10 0.20 -0.04 0.00 -0.43 0.00 0.00 46.19 46.03 3hvy s LEU 178 CO 0.77 -0.12 0.02 -0.63 -0.29 0.00 0.00 176.35 176.11 3hvy s ILE 179 N 0.91 4.46 -0.24 6.68 1.01 0.15 -4.79 121.20 129.38 3hvy s ILE 179 Ca -0.07 -0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.35 3hvy s ILE 179 Cb -0.10 -2.97 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 3hvy s ILE 179 CO -0.04 0.49 0.06 -2.28 0.00 0.00 0.00 174.94 173.17 3hvy s HIS 180 N 0.17 3.07 -0.11 3.97 5.65 -1.26 -0.72 115.29 126.07 3hvy s HIS 180 Ca 0.02 -0.46 0.00 0.00 0.25 0.00 0.00 55.06 54.87 3hvy s HIS 180 Cb -0.13 -2.22 -0.02 0.00 -1.18 0.00 0.00 32.58 29.03 3hvy s HIS 180 CO 0.01 -0.36 -0.12 0.42 -0.65 0.00 0.00 174.74 174.04 3hvy s ILE 181 N 1.56 3.16 -0.29 0.89 1.01 0.75 -1.62 121.20 126.67 3hvy s ILE 181 Ca 0.06 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 3hvy s ILE 181 Cb -0.15 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 3hvy s ILE 181 CO 0.03 0.54 0.10 -1.58 0.00 0.00 0.00 174.94 174.03 3hvy s GLN 182 N 0.08 3.31 -0.01 2.79 0.74 -1.26 -0.77 119.66 124.54 3hvy s GLN 182 Ca -0.05 -0.72 -0.25 0.00 0.05 0.00 0.00 55.36 54.40 3hvy s GLN 182 Cb -0.14 -3.43 -0.18 0.00 1.10 0.00 0.00 33.01 30.36 3hvy s GLN 182 CO 0.04 -0.37 1.20 -0.09 -0.55 0.00 0.00 175.29 175.52 3hvy h ARG 183 N 8.28 -0.19 -5.89 1.67 2.43 -1.72 -3.43 114.38 115.52 3hvy h ARG 183 Ca -0.33 0.01 -0.57 0.00 -0.81 0.00 0.00 59.98 58.28 3hvy h ARG 183 Cb 1.14 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.67 3hvy h ARG 183 CO 0.60 0.20 -0.02 0.45 -1.51 0.00 0.00 179.97 179.69 3hvy s SER 184 N -5.39 6.84 0.50 -3.80 0.15 -1.26 -1.15 113.70 109.59 3hvy s SER 184 Ca -0.14 1.01 -0.23 0.00 0.70 0.00 0.00 55.95 57.29 3hvy s SER 184 Cb 0.02 -2.35 -0.06 0.00 -1.71 0.00 0.00 66.02 61.91 3hvy s SER 184 CO 0.59 -0.06 1.28 -0.89 1.20 0.00 0.00 173.24 175.35 3hvy s THR 185 N 0.73 2.55 0.00 6.45 2.01 -1.26 -4.98 115.64 121.13 3hvy s THR 185 Ca 0.32 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.74 3hvy s THR 185 Cb -0.16 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.13 3hvy s THR 185 CO 0.14 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 3hvy n GLY 186 N 0.60 0.77 3.58 4.40 0.00 -1.26 -4.84 105.19 108.44 3hvy n GLY 186 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3hvy n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hvy s TYR 187 N 1.23 2.48 0.00 1.61 2.02 -1.26 -4.85 117.35 118.58 3hvy s TYR 187 Ca 0.00 -0.88 0.00 0.00 -0.37 0.00 0.00 57.07 55.82 3hvy s TYR 187 Cb 0.00 -4.49 0.00 0.00 -0.40 0.00 0.00 41.96 37.07 3hvy s TYR 187 CO 0.00 -1.59 0.00 0.41 -1.57 0.00 0.00 175.55 172.80 3hvy n GLY 188 N 5.54 5.21 2.26 0.71 0.00 -1.26 -5.08 105.19 112.57 3hvy n GLY 188 Ca 0.47 -1.37 -0.25 0.00 0.00 0.00 0.00 46.02 44.87 3hvy n GLY 188 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3hvy n TRP 189 N 0.00 0.28 -3.64 1.61 -0.00 -1.26 -5.06 117.44 109.37 3hvy n TRP 189 Ca 0.00 -3.65 -0.10 0.00 -0.00 0.00 0.00 57.50 53.75 3hvy n TRP 189 Cb 0.00 -0.33 -0.07 0.00 -0.00 0.00 0.00 31.31 30.90 3hvy n TRP 189 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 177.69 178.19 3hvy s ARG 190 N -1.28 0.75 0.33 5.87 3.52 -1.26 -5.15 118.95 121.73 3hvy s ARG 190 Ca 0.35 1.12 -0.28 0.00 -0.13 0.00 0.00 55.73 56.79 3hvy s ARG 190 Cb 0.15 0.25 -0.10 0.00 -1.56 0.00 0.00 34.95 33.69 3hvy s ARG 190 CO -0.10 -0.13 1.24 0.15 -0.81 0.00 0.00 175.30 175.65 3hvy s LYS 191 N 1.10 4.37 0.67 5.12 1.02 -1.26 -4.75 119.74 126.01 3hvy s LYS 191 Ca -0.06 2.07 -0.16 0.00 0.02 0.00 0.00 55.97 57.84 3hvy s LYS 191 Cb -0.05 -3.04 0.01 0.00 -0.52 0.00 0.00 37.83 34.23 3hvy s LYS 191 CO -0.11 -0.12 1.19 -1.12 -0.92 0.00 0.00 175.35 174.26 3hvy s SER 192 N -0.67 4.73 -0.22 2.83 0.01 -1.26 -4.82 113.70 114.30 3hvy s SER 192 Ca 0.49 2.29 -0.29 0.00 1.31 0.00 0.00 55.95 59.75 3hvy s SER 192 Cb -0.37 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.28 3hvy s SER 192 CO 0.48 -1.90 1.17 -0.76 0.41 0.00 0.00 173.24 172.65 3hvy s LEU 193 N -4.72 4.09 0.69 2.44 1.43 -0.30 -4.91 118.68 117.41 3hvy s LEU 193 Ca 0.74 1.46 -0.12 0.00 -1.03 0.00 0.00 54.13 55.18 3hvy s LEU 193 Cb -0.28 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.42 3hvy s LEU 193 CO 0.40 -0.78 1.07 -0.13 0.23 0.00 0.00 176.35 177.14 3hvy s ARG 194 N 3.49 2.85 0.26 1.70 1.81 -1.26 -4.83 118.95 122.98 3hvy s ARG 194 Ca 0.50 1.05 -0.03 0.00 -1.72 0.00 0.00 55.73 55.53 3hvy s ARG 194 Cb -0.18 -1.98 0.40 0.00 -0.45 0.00 0.00 34.95 32.74 3hvy s ARG 194 CO 0.13 -1.17 1.88 0.82 -0.68 0.00 0.00 175.30 176.28 3hvy h ILE 195 N -0.61 1.09 -0.12 1.52 1.08 -1.95 -1.07 117.51 117.46 3hvy h ILE 195 Ca -0.44 -0.40 -0.08 0.00 -0.39 0.00 0.00 64.86 63.54 3hvy h ILE 195 Cb 1.22 -0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.77 3hvy h ILE 195 CO 0.56 0.21 -0.29 0.00 -0.69 0.00 0.00 178.15 177.94 3hvy h ALA 196 N 1.45 1.29 -0.31 1.87 0.00 -1.99 0.10 119.26 121.67 3hvy h ALA 196 Ca 0.43 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3hvy h ALA 196 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3hvy h ALA 196 CO -0.17 0.49 -0.28 0.93 0.00 0.00 0.00 179.25 180.21 3hvy h GLU 197 N 0.20 0.75 -0.52 0.00 5.08 -1.70 -2.30 114.58 116.09 3hvy h GLU 197 Ca 0.03 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3hvy h GLU 197 Cb 0.63 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 3hvy h GLU 197 CO 0.05 1.00 0.33 0.82 -1.00 0.00 0.00 179.01 180.21 3hvy h ILE 198 N 0.51 1.15 -0.77 3.13 2.04 -0.82 -1.60 117.51 121.15 3hvy h ILE 198 Ca 0.05 -0.31 0.12 0.00 1.00 0.00 0.00 64.86 65.73 3hvy h ILE 198 Cb 0.85 0.41 -0.09 0.00 -0.74 0.00 0.00 36.82 37.26 3hvy h ILE 198 CO 0.07 0.15 0.37 0.00 0.00 0.00 0.00 178.15 178.74 3hvy h ALA 199 N 1.17 1.11 -0.20 1.87 0.00 -0.65 -0.54 119.26 122.02 3hvy h ALA 199 Ca 0.19 0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.98 3hvy h ALA 199 Cb -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hvy h ALA 199 CO -0.04 -0.10 -0.65 0.93 0.00 0.00 0.00 179.25 179.39 3hvy h GLU 200 N 0.57 0.75 -0.28 0.00 4.39 -1.01 -0.59 114.58 118.41 3hvy h GLU 200 Ca 0.41 -0.54 0.01 0.00 0.34 0.00 0.00 59.36 59.58 3hvy h GLU 200 Cb 0.53 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 3hvy h GLU 200 CO -0.34 1.16 0.17 0.82 -1.16 0.00 0.00 179.01 179.66 3hvy h ILE 201 N 0.54 1.05 -0.57 3.13 2.04 -0.90 -1.48 117.51 121.32 3hvy h ILE 201 Ca -0.02 -0.12 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 3hvy h ILE 201 Cb 1.26 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 3hvy h ILE 201 CO 0.13 0.06 -0.05 0.40 0.00 0.00 0.00 178.15 178.70 3hvy h ILE 202 N 0.36 1.27 -0.70 -0.67 2.04 -0.96 -0.99 117.51 117.85 3hvy h ILE 202 Ca 0.11 -1.20 0.05 0.00 1.00 0.00 0.00 64.86 64.82 3hvy h ILE 202 Cb -0.02 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 3hvy h ILE 202 CO -0.04 0.43 0.41 0.11 0.00 0.00 0.00 178.15 179.06 3hvy h LYS 203 N 0.93 0.75 -0.53 2.37 1.57 -0.92 0.18 116.57 120.92 3hvy h LYS 203 Ca 0.16 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3hvy h LYS 203 Cb 0.61 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3hvy h LYS 203 CO 0.04 0.50 0.25 0.77 -0.57 0.00 0.00 179.45 180.43 3hvy h SER 204 N 0.77 0.70 -0.41 0.86 0.02 -0.85 -2.41 113.55 112.23 3hvy h SER 204 Ca 0.31 -0.13 0.04 0.00 -0.84 0.00 0.00 61.79 61.16 3hvy h SER 204 Cb 0.14 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 3hvy h SER 204 CO -0.16 0.64 0.17 0.40 -1.14 0.00 0.00 176.83 176.73 3hvy h ILE 205 N 0.71 0.91 0.00 3.27 2.04 -0.54 -2.26 117.51 121.65 3hvy h ILE 205 Ca 0.18 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3hvy h ILE 205 Cb 0.13 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3hvy h ILE 205 CO -0.02 0.06 0.00 0.03 0.00 0.00 0.00 178.15 178.22 3hvy h ARG 206 N 0.35 0.00 0.00 2.37 2.47 -0.75 0.33 114.38 119.14 3hvy h ARG 206 Ca 0.19 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.84 3hvy h ARG 206 Cb 0.14 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 3hvy h ARG 206 CO -0.17 0.00 -0.31 0.93 0.56 0.00 0.00 179.97 180.98 3hvy h GLU 207 N 0.00 0.00 0.00 0.04 5.08 -0.90 -3.32 114.58 115.48 3hvy h GLU 207 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 3hvy h GLU 207 Cb 0.22 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 3hvy h GLU 207 CO 0.00 0.31 -1.98 0.28 -1.00 0.00 0.00 179.01 176.63 3hvy n VAL 208 N -3.78 0.98 -3.52 3.13 0.31 -0.03 -5.01 118.33 110.42 3hvy n VAL 208 Ca -0.01 -0.56 -0.06 0.00 -0.01 0.00 0.00 64.34 63.70 3hvy n VAL 208 Cb 0.40 -0.73 -0.07 0.00 -0.91 0.00 0.00 33.84 32.53 3hvy n VAL 208 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3hvy s ASN 209 N -4.93 -0.35 0.00 4.52 3.84 -0.41 -5.00 114.94 112.61 3hvy s ASN 209 Ca -0.10 0.84 0.26 0.00 0.21 0.00 0.00 52.86 54.07 3hvy s ASN 209 Cb 0.05 1.49 0.63 0.00 -0.55 0.00 0.00 41.25 42.87 3hvy s ASN 209 CO 0.55 -0.25 1.51 -0.62 -2.79 0.00 0.00 177.10 175.49 3hvy n GLU 210 N 5.40 1.99 -0.08 0.43 1.02 -1.26 -4.00 120.64 124.13 3hvy n GLU 210 Ca -0.07 -1.44 -0.08 0.00 -0.02 0.00 0.00 57.16 55.55 3hvy n GLU 210 Cb 0.50 -1.47 -0.13 0.00 -0.02 0.00 0.00 31.44 30.32 3hvy n GLU 210 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hvy n ASN 211 N 0.75 1.08 -4.68 1.62 3.02 -1.26 -4.97 115.26 110.81 3hvy n ASN 211 Ca 0.17 -0.01 -0.44 0.00 -0.03 0.00 0.00 54.58 54.27 3hvy n ASN 211 Cb 0.47 0.82 -0.02 0.00 -0.61 0.00 0.00 39.78 40.44 3hvy n ASN 211 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 3hvy n VAL 212 N -2.64 1.30 -2.45 2.41 3.14 -1.26 -4.91 118.33 113.93 3hvy n VAL 212 Ca -0.27 -0.33 -0.42 0.00 -2.96 0.00 0.00 64.34 60.36 3hvy n VAL 212 Cb 1.02 -1.50 -0.03 0.00 -1.06 0.00 0.00 33.84 32.28 3hvy n VAL 212 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 3hvy s ILE 213 N -0.40 4.25 -0.38 1.55 1.01 -0.56 -4.91 121.20 121.76 3hvy s ILE 213 Ca 0.64 1.56 -0.11 0.00 0.00 0.00 0.00 60.65 62.74 3hvy s ILE 213 Cb -0.62 -4.01 0.03 0.00 0.01 0.00 0.00 42.46 37.87 3hvy s ILE 213 CO 0.54 -0.03 0.22 -0.69 0.00 0.00 0.00 174.94 174.98 3hvy s VAL 214 N 2.48 4.61 -0.16 2.92 1.01 -1.26 0.31 120.40 130.31 3hvy s VAL 214 Ca 0.56 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 3hvy s VAL 214 Cb -0.24 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3hvy s VAL 214 CO 0.20 -0.27 0.05 0.12 0.00 0.00 0.00 175.10 175.20 3hvy s PHE 215 N 1.55 3.24 -0.17 5.22 5.36 0.11 -0.56 117.98 132.74 3hvy s PHE 215 Ca 0.02 0.09 0.01 0.00 -0.96 0.00 0.00 56.93 56.09 3hvy s PHE 215 Cb -0.20 -2.01 0.02 0.00 -0.34 0.00 0.00 43.02 40.49 3hvy s PHE 215 CO 0.07 0.23 -0.18 0.08 -1.46 0.00 0.00 175.22 173.96 3hvy s VAL 216 N 0.07 1.88 -0.33 3.12 1.01 -0.50 -0.18 120.40 125.47 3hvy s VAL 216 Ca 0.05 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 3hvy s VAL 216 Cb -0.12 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 3hvy s VAL 216 CO 0.01 0.51 1.74 -0.62 0.00 0.00 0.00 175.10 176.74 3hvy s ASP 217 N 1.36 5.99 0.00 3.32 -1.08 0.05 -2.60 116.67 123.71 3hvy s ASP 217 Ca 0.05 1.28 0.24 0.00 -0.52 0.00 0.00 52.55 53.60 3hvy s ASP 217 Cb -0.13 -2.53 0.38 0.00 -1.46 0.00 0.00 42.92 39.18 3hvy s ASP 217 CO -0.12 -1.64 1.37 -3.20 0.52 0.00 0.00 175.17 172.10 3hvy n ASN 218 N 9.95 2.92 -4.53 -0.34 5.15 -0.79 -1.94 115.26 125.68 3hvy n ASN 218 Ca 0.22 -1.93 -0.49 0.00 -0.60 0.00 0.00 54.58 51.77 3hvy n ASN 218 Cb 0.47 -0.08 -0.04 0.00 -0.53 0.00 0.00 39.78 39.59 3hvy n ASN 218 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hvy n TYR 220 N 0.94 0.00 0.11 0.00 4.01 -1.26 -4.42 117.16 116.54 3hvy n TYR 220 Ca 0.15 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.00 3hvy n TYR 220 Cb 0.24 -0.32 -0.12 0.00 -0.31 0.00 0.00 39.34 38.83 3hvy n TYR 220 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hvy n GLY 221 N -2.00 -1.10 3.72 2.72 0.00 -0.61 -2.57 105.19 105.35 3hvy n GLY 221 Ca 0.00 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 3hvy n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hvy s GLU 222 N -3.44 4.19 -0.33 1.61 8.01 -1.25 -2.32 118.70 125.17 3hvy s GLU 222 Ca -0.05 2.44 0.00 0.00 0.01 0.00 0.00 54.97 57.37 3hvy s GLU 222 Cb 0.13 -3.12 0.00 0.00 -4.31 0.00 0.00 34.13 26.83 3hvy s GLU 222 CO 0.88 -0.63 0.00 1.19 0.01 0.00 0.00 175.26 176.70 3hvy n PHE 223 N 3.73 0.00 0.08 1.61 3.72 -1.26 -4.80 117.46 120.55 3hvy n PHE 223 Ca 0.13 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.37 3hvy n PHE 223 Cb 0.38 -1.90 -0.09 0.00 -0.94 0.00 0.00 39.48 36.93 3hvy n PHE 223 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3hvy h VAL 224 N 0.00 1.39 -1.06 -4.37 2.07 -1.74 -3.45 116.25 109.09 3hvy h VAL 224 Ca -0.06 -2.62 -0.53 0.00 0.82 0.00 0.00 66.70 64.31 3hvy h VAL 224 Cb 0.88 2.64 -0.03 0.00 -1.52 0.00 0.00 31.29 33.26 3hvy h VAL 224 CO 0.09 0.78 -0.32 -1.61 0.02 0.00 0.00 177.57 176.53 3hvy s GLU 225 N -3.02 2.38 0.01 1.57 2.02 -1.26 -4.87 118.70 115.52 3hvy s GLU 225 Ca -0.06 -1.76 0.28 0.00 0.02 0.00 0.00 54.97 53.45 3hvy s GLU 225 Cb 0.07 -2.28 0.98 0.00 0.10 0.00 0.00 34.13 33.01 3hvy s GLU 225 CO 0.89 -0.44 1.75 -0.85 0.02 0.00 0.00 175.26 176.64 3hvy n GLU 226 N -1.70 0.02 -4.42 1.61 0.00 -1.26 -4.82 120.64 110.07 3hvy n GLU 226 Ca 0.03 0.01 -0.21 0.00 0.00 0.00 0.00 57.16 56.98 3hvy n GLU 226 Cb 0.63 -1.51 -0.10 0.00 0.00 0.00 0.00 31.44 30.45 3hvy n GLU 226 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3hvy s LYS 227 N -3.01 1.53 0.39 3.44 1.02 -1.26 -4.96 119.74 116.89 3hvy s LYS 227 Ca 0.13 -1.72 0.08 0.00 0.02 0.00 0.00 55.97 54.47 3hvy s LYS 227 Cb 0.18 -1.37 -0.07 0.00 -0.52 0.00 0.00 37.83 36.05 3hvy s LYS 227 CO 0.59 0.19 -0.01 -1.21 -0.92 0.00 0.00 175.35 173.99 3hvy s GLU 228 N -3.62 1.95 0.52 1.68 0.41 -1.26 -4.89 118.70 113.49 3hvy s GLU 228 Ca 0.27 -2.02 0.20 0.00 -0.41 0.00 0.00 54.97 53.01 3hvy s GLU 228 Cb -0.01 -1.70 1.35 0.00 -1.78 0.00 0.00 34.13 31.99 3hvy s GLU 228 CO 0.11 0.01 2.13 -1.35 -0.49 0.00 0.00 175.26 175.67 3hvy h PRO 229 N 1.81 0.00 0.00 0.39 0.11 -1.95 0.65 132.00 133.01 3hvy h PRO 229 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hvy h PRO 229 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hvy h PRO 229 CO 0.77 0.06 0.00 1.79 -0.21 0.00 0.00 178.00 180.41 3hvy h THR 230 N 0.00 0.00 0.00 -1.15 1.35 -1.82 -1.68 112.91 109.61 3hvy h THR 230 Ca -0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3hvy h THR 230 Cb 0.12 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3hvy h THR 230 CO 0.01 0.00 -0.10 0.47 -0.25 0.00 0.00 175.52 175.65 3hvy n ASP 231 N -3.00 0.24 -0.68 5.36 8.00 0.22 -3.92 116.55 122.77 3hvy n ASP 231 Ca -0.01 0.39 0.06 0.00 0.71 0.00 0.00 54.79 55.93 3hvy n ASP 231 Cb 0.17 -0.41 0.14 0.00 -0.02 0.00 0.00 41.12 41.00 3hvy n ASP 231 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3hvy n VAL 232 N -1.65 1.53 0.00 2.53 0.24 -0.81 -4.99 118.33 115.18 3hvy n VAL 232 Ca 0.06 -2.36 0.00 0.00 -2.04 0.00 0.00 64.34 60.00 3hvy n VAL 232 Cb 0.36 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.80 3hvy n VAL 232 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hvy n GLY 233 N -0.77 0.75 3.74 7.63 0.00 -1.17 -4.54 105.19 110.83 3hvy n GLY 233 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3hvy n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hvy s ALA 234 N -2.00 3.62 -0.05 4.61 0.00 -0.70 -4.87 121.76 122.38 3hvy s ALA 234 Ca 0.00 1.29 0.13 0.00 0.00 0.00 0.00 51.96 53.38 3hvy s ALA 234 Cb 0.00 -3.55 -0.13 0.00 0.00 0.00 0.00 23.12 19.44 3hvy s ALA 234 CO 0.00 -0.71 1.06 -0.44 0.00 0.00 0.00 175.76 175.68 3hvy h ASP 235 N 5.32 0.00 -4.07 0.00 3.32 -1.17 -3.42 116.42 116.40 3hvy h ASP 235 Ca -0.45 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.53 3hvy h ASP 235 Cb 1.22 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.55 3hvy h ASP 235 CO 0.79 0.76 0.03 -0.51 -1.72 0.00 0.00 179.24 178.59 3hvy s ILE 236 N -2.81 0.00 0.17 0.35 2.07 -1.05 -1.10 121.20 118.83 3hvy s ILE 236 Ca -0.01 -0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.25 3hvy s ILE 236 Cb 0.09 -0.88 -0.05 0.00 0.13 0.00 0.00 42.46 41.75 3hvy s ILE 236 CO 0.80 -0.01 -0.02 0.27 -1.91 0.00 0.00 174.94 174.08 3hvy s ILE 237 N 0.18 0.76 0.07 2.00 -4.36 0.82 -1.41 121.20 119.25 3hvy s ILE 237 Ca -0.01 -1.99 -0.14 0.00 -0.26 0.00 0.00 60.65 58.25 3hvy s ILE 237 Cb -0.04 -2.06 0.02 0.00 1.25 0.00 0.00 42.46 41.63 3hvy s ILE 237 CO 0.02 -0.54 0.32 0.00 0.24 0.00 0.00 174.94 174.98 3hvy s ALA 238 N -3.60 -0.69 0.19 2.27 0.00 -1.07 -1.52 121.76 117.34 3hvy s ALA 238 Ca 0.22 -0.07 -0.14 0.00 0.00 0.00 0.00 51.96 51.98 3hvy s ALA 238 Cb 0.06 0.42 0.05 0.00 0.00 0.00 0.00 23.12 23.64 3hvy s ALA 238 CO 0.03 -0.48 0.68 0.41 0.00 0.00 0.00 175.76 176.40 3hvy n GLY 239 N 0.32 0.97 3.68 0.00 0.00 -0.67 -1.89 105.19 107.60 3hvy n GLY 239 Ca -0.18 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 3hvy n GLY 239 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hvy s SER 240 N -2.65 5.39 0.05 1.61 0.15 -1.26 -1.57 113.70 115.41 3hvy s SER 240 Ca 0.15 0.14 0.26 0.00 0.70 0.00 0.00 55.95 57.20 3hvy s SER 240 Cb -0.03 -1.66 1.07 0.00 -1.71 0.00 0.00 66.02 63.70 3hvy s SER 240 CO 0.06 0.33 1.84 0.18 1.20 0.00 0.00 173.24 176.84 3hvy n LEU 241 N 2.50 0.19 -1.00 3.45 4.77 -0.66 -3.05 117.00 123.20 3hvy n LEU 241 Ca -0.18 0.52 0.09 0.00 -0.03 0.00 0.00 56.01 56.41 3hvy n LEU 241 Cb 0.53 -0.47 0.25 0.00 -2.33 0.00 0.00 43.42 41.41 3hvy n LEU 241 CO 0.30 -0.09 0.71 2.30 -1.33 0.00 0.00 177.39 179.29 3hvy n ILE 242 N -1.68 0.68 -1.14 -0.08 -5.35 -1.26 -2.52 119.36 108.00 3hvy n ILE 242 Ca 0.06 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 3hvy n ILE 242 Cb 0.33 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.66 3hvy n ILE 242 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3hvy n LYS 243 N 1.10 3.91 -0.29 6.28 5.02 -1.17 -2.11 118.16 130.91 3hvy n LYS 243 Ca 0.18 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.50 3hvy n LYS 243 Cb 0.47 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.58 3hvy n LYS 243 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3hvy h ASN 244 N 0.00 -0.82 1.30 4.39 4.21 -1.88 -2.95 115.58 119.84 3hvy h ASN 244 Ca 0.00 0.25 0.00 0.00 1.21 0.00 0.00 56.30 57.76 3hvy h ASN 244 Cb 0.00 0.53 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 3hvy h ASN 244 CO 0.00 -0.27 0.00 -0.29 -1.29 0.00 0.00 177.43 175.58 3hvy h ILE 245 N -0.01 0.00 -0.00 2.81 2.10 -1.83 -1.67 117.51 118.90 3hvy h ILE 245 Ca 0.38 -0.50 0.00 0.00 1.08 0.00 0.00 64.86 65.82 3hvy h ILE 245 Cb 0.60 1.43 0.00 0.00 -1.09 0.00 0.00 36.82 37.76 3hvy h ILE 245 CO -0.84 0.00 -0.08 0.61 -1.08 0.00 0.00 178.15 176.76 3hvy n GLY 246 N 0.75 -0.98 2.52 8.18 0.00 -1.05 -3.79 105.19 110.82 3hvy n GLY 246 Ca 0.04 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 3hvy n GLY 246 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hvy n GLY 247 N 1.26 1.07 2.90 -0.02 0.00 -0.63 -1.57 105.19 108.19 3hvy n GLY 247 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3hvy n GLY 247 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hvy n GLY 248 N -0.85 1.46 0.12 -0.02 0.00 -1.26 -4.78 105.19 99.86 3hvy n GLY 248 Ca -0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 3hvy n GLY 248 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hvy n ILE 249 N -2.00 1.36 -1.70 -0.61 2.08 -0.61 -4.93 119.36 112.95 3hvy n ILE 249 Ca 0.00 -0.54 -0.43 0.00 0.56 0.00 0.00 62.75 62.34 3hvy n ILE 249 Cb 0.00 -1.28 -0.01 0.00 -0.75 0.00 0.00 39.64 37.60 3hvy n ILE 249 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hvy n ALA 250 N -3.16 1.46 0.19 -1.39 0.00 -0.95 -4.92 120.51 111.74 3hvy n ALA 250 Ca -0.41 0.37 0.11 0.00 0.00 0.00 0.00 53.44 53.51 3hvy n ALA 250 Cb 0.96 -2.29 -0.14 0.00 0.00 0.00 0.00 19.45 17.97 3hvy n ALA 250 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hvy n THR 251 N 0.92 0.04 -3.90 0.00 -2.24 -1.26 -4.72 114.28 103.12 3hvy n THR 251 Ca 0.07 -0.41 -0.02 0.00 -2.27 0.00 0.00 64.05 61.42 3hvy n THR 251 Cb 0.35 0.16 0.02 0.00 -2.10 0.00 0.00 70.33 68.75 3hvy n THR 251 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3hvy s THR 252 N -3.41 0.00 0.00 4.28 -1.32 -1.26 -4.83 115.64 109.09 3hvy s THR 252 Ca -0.04 -0.49 0.00 0.00 -1.21 0.00 0.00 61.69 59.94 3hvy s THR 252 Cb 0.14 -2.89 0.00 0.00 -1.51 0.00 0.00 72.50 68.24 3hvy s THR 252 CO 0.89 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.91 3hvy n GLY 253 N -0.74 -0.22 3.82 6.08 0.00 -1.15 -4.67 105.19 108.30 3hvy n GLY 253 Ca -0.02 -2.28 -0.08 0.00 0.00 0.00 0.00 46.02 43.64 3hvy n GLY 253 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hvy s GLY 254 N 0.00 0.26 0.03 -0.02 0.00 -0.56 -1.65 107.32 105.38 3hvy s GLY 254 Ca 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 44.72 44.07 3hvy s GLY 254 CO 0.00 -0.10 0.01 -2.52 0.00 0.00 0.00 173.10 170.48 3hvy s TYR 255 N -2.60 0.28 -0.04 1.90 1.13 -0.61 -1.79 117.35 115.61 3hvy s TYR 255 Ca 0.15 -0.60 0.01 0.00 -1.41 0.00 0.00 57.07 55.23 3hvy s TYR 255 Cb -0.05 -0.21 0.02 0.00 -1.10 0.00 0.00 41.96 40.62 3hvy s TYR 255 CO 0.10 -0.27 -0.06 0.42 -2.51 0.00 0.00 175.55 173.23 3hvy s ILE 256 N -2.15 0.65 0.01 -3.49 1.01 0.03 -1.66 121.20 115.60 3hvy s ILE 256 Ca -0.09 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.36 3hvy s ILE 256 Cb -0.05 -0.64 -0.01 0.00 0.01 0.00 0.00 42.46 41.77 3hvy s ILE 256 CO -0.03 0.24 -0.03 0.00 0.00 0.00 0.00 174.94 175.12 3hvy s ALA 257 N 0.77 0.22 0.00 9.38 0.00 -0.57 0.23 121.76 131.79 3hvy s ALA 257 Ca -0.11 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3hvy s ALA 257 Cb -0.14 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.01 3hvy s ALA 257 CO 0.01 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.15 3hvy n GLY 258 N 2.33 -0.20 3.78 0.00 0.00 -0.37 -0.13 105.19 110.61 3hvy n GLY 258 Ca -0.18 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 3hvy n GLY 258 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hvy n LYS 259 N 0.00 2.67 -0.23 1.61 4.76 -0.26 -0.81 118.16 125.89 3hvy n LYS 259 Ca 0.00 0.94 0.02 0.00 -2.87 0.00 0.00 58.31 56.40 3hvy n LYS 259 Cb 0.00 -2.67 0.15 0.00 -1.84 0.00 0.00 35.03 30.67 3hvy n LYS 259 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3hvy h GLU 260 N 2.93 0.44 -0.38 1.97 4.22 -1.89 -0.75 114.58 121.11 3hvy h GLU 260 Ca -0.51 -0.03 0.05 0.00 0.08 0.00 0.00 59.36 58.95 3hvy h GLU 260 Cb 1.24 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 3hvy h GLU 260 CO 0.64 0.29 0.13 1.49 -2.18 0.00 0.00 179.01 179.38 3hvy h GLU 261 N 0.45 0.27 0.08 1.92 4.81 -1.98 0.81 114.58 120.95 3hvy h GLU 261 Ca 0.36 -0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 59.32 3hvy h GLU 261 Cb 0.48 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3hvy h GLU 261 CO -0.34 0.18 -1.15 1.88 -0.73 0.00 0.00 179.01 178.85 3hvy h TYR 262 N 0.28 0.35 -0.48 0.92 0.05 -1.68 -2.71 116.97 113.69 3hvy h TYR 262 Ca 0.17 -0.25 -0.10 0.00 0.05 0.00 0.00 58.73 58.60 3hvy h TYR 262 Cb 0.16 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 3hvy h TYR 262 CO -0.15 1.19 -0.10 0.28 -1.05 0.00 0.00 178.16 178.32 3hvy h VAL 263 N 0.06 1.27 -0.58 -2.88 2.07 -1.01 -2.37 116.25 112.81 3hvy h VAL 263 Ca -0.09 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.17 3hvy h VAL 263 Cb 1.88 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 3hvy h VAL 263 CO 0.18 0.43 0.25 0.74 0.02 0.00 0.00 177.57 179.19 3hvy h THR 264 N 0.78 1.22 -0.94 2.57 2.02 -0.83 -1.50 112.91 116.22 3hvy h THR 264 Ca 0.12 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.69 3hvy h THR 264 Cb 0.65 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 3hvy h THR 264 CO 0.04 0.26 0.61 1.56 0.37 0.00 0.00 175.52 178.37 3hvy h GLN 265 N 0.80 1.16 -0.48 6.66 1.08 -1.42 -1.85 115.11 121.06 3hvy h GLN 265 Ca 0.20 -0.07 0.04 0.00 -1.45 0.00 0.00 58.65 57.36 3hvy h GLN 265 Cb 0.16 -0.26 -0.04 0.00 -0.05 0.00 0.00 27.48 27.29 3hvy h GLN 265 CO -0.02 0.77 0.25 0.00 -0.95 0.00 0.00 178.83 178.88 3hvy h ALA 266 N 1.38 0.61 -0.35 3.87 0.00 -0.98 -2.62 119.26 121.18 3hvy h ALA 266 Ca 0.37 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.35 3hvy h ALA 266 Cb -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3hvy h ALA 266 CO -0.12 -0.10 0.24 1.79 0.00 0.00 0.00 179.25 181.06 3hvy h THR 267 N 0.49 0.96 0.00 0.00 1.35 -0.44 -0.94 112.91 114.33 3hvy h THR 267 Ca 0.21 -0.09 -0.06 0.00 -0.55 0.00 0.00 66.41 65.92 3hvy h THR 267 Cb 0.10 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 67.20 3hvy h THR 267 CO -0.14 0.05 -0.26 -0.26 -0.25 0.00 0.00 175.52 174.65 3hvy h PHE 268 N 0.26 0.00 0.07 4.73 0.04 -1.22 -1.66 116.94 119.16 3hvy h PHE 268 Ca 0.15 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.67 3hvy h PHE 268 Cb 0.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.43 3hvy h PHE 268 CO -0.00 0.26 -1.09 -0.09 -0.60 0.00 0.00 178.31 176.79 3hvy h ARG 269 N 0.00 0.34 -0.34 1.51 9.65 -1.19 -3.02 114.38 121.33 3hvy h ARG 269 Ca -0.00 -0.46 -0.09 0.00 -1.10 0.00 0.00 59.98 58.33 3hvy h ARG 269 Cb 0.60 0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.33 3hvy h ARG 269 CO 0.03 1.16 -0.15 0.28 2.80 0.00 0.00 179.97 184.10 3hvy h VAL 270 N 0.15 1.29 0.00 0.20 2.07 -1.00 -3.44 116.25 115.52 3hvy h VAL 270 Ca -0.11 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.16 3hvy h VAL 270 Cb 1.77 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 3hvy h VAL 270 CO 0.18 0.41 0.00 0.35 0.02 0.00 0.00 177.57 178.53 3hvy n THR 271 N -4.35 0.00 -3.85 2.57 -2.24 -0.66 -5.11 114.28 100.65 3hvy n THR 271 Ca -0.02 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 3hvy n THR 271 Cb 0.38 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.54 3hvy n THR 271 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3hvy s VAL 272 N 1.95 0.13 0.26 2.28 -7.23 -1.14 -4.92 120.40 111.73 3hvy s VAL 272 Ca 0.00 -1.06 -0.28 0.00 -1.81 0.00 0.00 61.98 58.83 3hvy s VAL 272 Cb 0.00 -1.18 -0.15 0.00 0.56 0.00 0.00 36.38 35.61 3hvy s VAL 272 CO 0.00 -0.59 0.85 -2.65 -0.31 0.00 0.00 175.10 172.41 3hvy n PRO 273 N 0.21 0.92 0.00 4.82 -0.02 -1.20 -1.63 135.00 138.09 3hvy n PRO 273 Ca -0.16 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3hvy n PRO 273 Cb 0.61 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 3hvy n PRO 273 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hvy n GLY 274 N 1.47 2.99 0.39 -1.23 0.00 -1.26 -4.72 105.19 102.83 3hvy n GLY 274 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 3hvy n GLY 274 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hvy n ILE 275 N -2.00 1.17 -0.98 -0.61 5.41 -0.65 -5.03 119.36 116.68 3hvy n ILE 275 Ca 0.00 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.61 3hvy n ILE 275 Cb 0.00 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.06 3hvy n ILE 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hvy n GLY 276 N 1.85 3.16 0.71 7.39 0.00 -0.67 -1.85 105.19 115.78 3hvy n GLY 276 Ca -0.31 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 45.67 3hvy n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hvy n GLY 277 N 0.00 0.68 0.25 -0.02 0.00 -1.26 -4.27 105.19 100.57 3hvy n GLY 277 Ca 0.00 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.66 3hvy n GLY 277 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hvy h GLU 278 N 2.70 0.00 -6.81 1.61 4.39 -1.77 -3.42 114.58 111.28 3hvy h GLU 278 Ca 0.00 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.02 3hvy h GLU 278 Cb 0.60 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.04 3hvy h GLU 278 CO 0.00 0.15 -0.84 0.00 -1.16 0.00 0.00 179.01 177.15 3hvy n GLY 280 N 0.76 1.50 3.75 0.00 0.00 0.12 -4.97 105.19 106.35 3hvy n GLY 280 Ca -0.16 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 3hvy n GLY 280 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hvy s SER 281 N 0.00 3.96 -0.08 1.61 1.04 -1.24 -4.74 113.70 114.24 3hvy s SER 281 Ca 0.00 1.49 0.12 0.00 0.48 0.00 0.00 55.95 58.04 3hvy s SER 281 Cb 0.00 -2.19 0.19 0.00 0.10 0.00 0.00 66.02 64.12 3hvy s SER 281 CO 0.00 -2.33 1.09 0.35 0.98 0.00 0.00 173.24 173.33 3hvy n THR 282 N -3.68 1.24 -1.46 2.02 -2.24 -1.26 -4.99 114.28 103.91 3hvy n THR 282 Ca 0.07 -1.48 -0.16 0.00 -2.27 0.00 0.00 64.05 60.21 3hvy n THR 282 Cb 0.55 0.03 -0.07 0.00 -2.10 0.00 0.00 70.33 68.74 3hvy n THR 282 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3hvy n PHE 283 N -0.94 -0.08 -1.10 4.78 3.72 -1.26 -1.88 117.46 120.70 3hvy n PHE 283 Ca 0.10 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.47 3hvy n PHE 283 Cb 0.65 -3.06 -0.02 0.00 -0.94 0.00 0.00 39.48 36.11 3hvy n PHE 283 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hvy n GLY 284 N -0.18 0.65 2.79 1.37 0.00 -1.26 -5.02 105.19 103.54 3hvy n GLY 284 Ca -0.16 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 3hvy n GLY 284 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hvy n VAL 285 N -2.82 4.33 0.00 1.61 0.24 -0.79 -4.77 118.33 116.13 3hvy n VAL 285 Ca -0.04 -4.17 0.00 0.00 -2.04 0.00 0.00 64.34 58.09 3hvy n VAL 285 Cb 0.16 -2.36 0.00 0.00 -1.47 0.00 0.00 33.84 30.16 3hvy n VAL 285 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3hvy n ARG 287 N 3.89 0.00 -0.30 7.34 0.63 -1.26 -2.01 116.66 124.94 3hvy n ARG 287 Ca 0.45 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 57.37 3hvy n ARG 287 Cb 0.35 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.39 3hvy n ARG 287 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3hvy h SER 288 N 0.00 0.83 -0.28 6.15 4.64 -1.94 -0.69 113.55 122.25 3hvy h SER 288 Ca 0.00 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.19 3hvy h SER 288 Cb 0.00 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 61.92 3hvy h SER 288 CO 0.00 0.54 -0.38 -0.07 -0.87 0.00 0.00 176.83 176.05 3hvy h LEU 289 N 0.97 0.82 -0.15 5.97 3.38 -1.76 0.27 115.31 124.81 3hvy h LEU 289 Ca 0.35 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 3hvy h LEU 289 Cb 0.12 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3hvy h LEU 289 CO -0.16 1.16 0.03 1.88 0.09 0.00 0.00 178.44 181.44 3hvy h TYR 290 N 0.50 0.25 -0.47 1.13 0.05 -1.81 -1.25 116.97 115.37 3hvy h TYR 290 Ca 0.03 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 3hvy h TYR 290 Cb 0.97 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.62 3hvy h TYR 290 CO 0.08 0.41 0.13 1.49 -1.05 0.00 0.00 178.16 179.21 3hvy h GLU 291 N 0.03 0.74 -0.48 4.88 4.81 -1.06 -1.62 114.58 121.88 3hvy h GLU 291 Ca 0.04 -0.17 0.09 0.00 -0.13 0.00 0.00 59.36 59.20 3hvy h GLU 291 Cb 0.29 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.49 3hvy h GLU 291 CO 0.00 0.72 0.01 0.78 -0.73 0.00 0.00 179.01 179.79 3hvy h GLY 292 N 0.63 0.50 1.01 1.92 0.00 -0.44 -2.33 103.07 104.36 3hvy h GLY 292 Ca 0.15 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.54 3hvy h GLY 292 CO -0.00 -0.13 0.49 -2.00 0.00 0.00 0.00 176.54 174.90 3hvy h LEU 293 N 0.12 0.87 -1.52 3.11 5.85 -0.82 -0.23 115.31 122.68 3hvy h LEU 293 Ca 0.24 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3hvy h LEU 293 Cb 0.36 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3hvy h LEU 293 CO -0.40 0.64 0.00 0.33 -0.34 0.00 0.00 178.44 178.67 3hvy n PHE 294 N -4.55 0.00 0.00 1.25 7.35 -0.65 -4.27 117.46 116.59 3hvy n PHE 294 Ca 0.07 -0.04 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 3hvy n PHE 294 Cb 0.02 -0.07 0.00 0.00 0.35 0.00 0.00 39.48 39.78 3hvy n PHE 294 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3hvy n ALA 296 N 0.68 0.00 -0.34 3.13 0.00 -0.10 -4.71 120.51 119.17 3hvy n ALA 296 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3hvy n ALA 296 Cb 0.06 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.73 3hvy n ALA 296 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3hvy h PRO 297 N 0.00 0.91 0.19 0.00 0.11 -1.88 -0.99 132.00 130.34 3hvy h PRO 297 Ca 0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 3hvy h PRO 297 Cb 0.00 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 30.91 3hvy h PRO 297 CO 0.00 0.60 -0.09 1.25 -0.21 0.00 0.00 178.00 179.55 3hvy h HIS 298 N 0.94 -0.23 -0.78 0.65 -0.00 -1.89 -3.02 115.15 110.81 3hvy h HIS 298 Ca 0.47 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.81 3hvy h HIS 298 Cb 0.45 0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.91 3hvy h HIS 298 CO -0.02 0.15 0.38 0.28 -0.00 0.00 0.00 177.93 178.72 3hvy h VAL 299 N -0.71 1.24 -0.54 5.26 2.07 -1.87 -1.51 116.25 120.19 3hvy h VAL 299 Ca -0.03 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 66.86 3hvy h VAL 299 Cb 0.49 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 3hvy h VAL 299 CO 0.04 0.29 0.28 0.74 0.02 0.00 0.00 177.57 178.94 3hvy h THR 300 N 1.11 0.95 0.00 2.57 2.02 -1.28 -1.81 112.91 116.48 3hvy h THR 300 Ca 0.27 -0.18 -0.11 0.00 0.77 0.00 0.00 66.41 67.15 3hvy h THR 300 Cb 0.11 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 3hvy h THR 300 CO -0.03 0.10 -0.54 0.40 0.37 0.00 0.00 175.52 175.81 3hvy h ILE 301 N 0.53 1.29 -0.58 3.11 1.08 -1.21 0.82 117.51 122.54 3hvy h ILE 301 Ca 0.24 -1.92 0.03 0.00 -0.39 0.00 0.00 64.86 62.82 3hvy h ILE 301 Cb 0.15 2.06 -0.04 0.00 -3.07 0.00 0.00 36.82 35.92 3hvy h ILE 301 CO -0.17 0.53 0.35 -0.33 -0.69 0.00 0.00 178.15 177.85 3hvy h GLU 302 N 0.00 0.67 -0.41 2.37 4.39 -0.68 0.42 114.58 121.34 3hvy h GLU 302 Ca -0.01 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 3hvy h GLU 302 Cb 1.02 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 3hvy h GLU 302 CO 0.07 0.45 -0.21 0.00 -1.16 0.00 0.00 179.01 178.16 3hvy h ALA 303 N 1.26 0.57 -0.61 3.43 0.00 -0.65 -1.00 119.26 122.27 3hvy h ALA 303 Ca 0.24 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3hvy h ALA 303 Cb 0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3hvy h ALA 303 CO -0.11 0.54 0.38 0.28 0.00 0.00 0.00 179.25 180.35 3hvy h VAL 304 N 0.67 1.10 -0.81 0.00 2.07 -0.57 -1.38 116.25 117.34 3hvy h VAL 304 Ca 0.09 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3hvy h VAL 304 Cb 0.77 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3hvy h VAL 304 CO 0.06 0.14 0.50 0.11 0.02 0.00 0.00 177.57 178.41 3hvy h LYS 305 N 0.76 1.08 -0.48 1.57 1.57 -0.69 -0.71 116.57 119.68 3hvy h LYS 305 Ca 0.24 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 3hvy h LYS 305 Cb -0.01 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.03 3hvy h LYS 305 CO -0.09 0.75 0.26 0.78 -0.57 0.00 0.00 179.45 180.58 3hvy h GLY 306 N 1.10 0.67 0.90 3.86 0.00 -0.77 0.13 103.07 108.96 3hvy h GLY 306 Ca 0.29 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.45 3hvy h GLY 306 CO -0.06 0.14 0.14 0.00 0.00 0.00 0.00 176.54 176.76 3hvy h ALA 307 N 1.24 0.31 -0.40 3.60 0.00 -0.66 0.10 119.26 123.46 3hvy h ALA 307 Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3hvy h ALA 307 Cb 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hvy h ALA 307 CO -0.12 -0.26 0.11 0.28 0.00 0.00 0.00 179.25 179.26 3hvy h VAL 308 N 0.28 1.22 -0.22 0.00 2.07 -0.84 0.10 116.25 118.88 3hvy h VAL 308 Ca 0.10 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3hvy h VAL 308 Cb 0.02 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3hvy h VAL 308 CO -0.06 0.26 0.09 0.15 0.02 0.00 0.00 177.57 178.03 3hvy h PHE 309 N 0.51 0.32 -0.56 1.57 3.57 -0.67 -2.20 116.94 119.49 3hvy h PHE 309 Ca 0.13 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.71 3hvy h PHE 309 Cb 0.29 -0.10 -0.09 0.00 2.79 0.00 0.00 35.95 38.85 3hvy h PHE 309 CO 0.01 0.35 0.07 0.00 -2.23 0.00 0.00 178.31 176.51 3hvy h ALA 311 N 1.47 0.93 0.02 0.00 0.00 -0.43 -3.12 119.26 118.13 3hvy h ALA 311 Ca 0.29 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3hvy h ALA 311 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hvy h ALA 311 CO -0.41 0.04 -0.01 -0.09 0.00 0.00 0.00 179.25 178.78 3hvy h ARG 312 N 0.69 -0.02 -1.27 0.00 9.65 -0.86 -1.92 114.38 120.65 3hvy h ARG 312 Ca 0.32 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.20 3hvy h ARG 312 Cb 0.23 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 3hvy h ARG 312 CO -0.20 0.63 0.00 1.51 2.80 0.00 0.00 179.97 184.71 3hvy n ILE 313 N -4.78 0.08 0.00 1.20 3.06 -0.35 -1.00 119.36 117.57 3hvy n ILE 313 Ca -0.09 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.16 3hvy n ILE 313 Cb 0.33 -0.39 0.00 0.00 0.54 0.00 0.00 39.64 40.12 3hvy n ILE 313 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 3hvy n GLU 315 N 0.76 0.00 0.21 9.51 2.13 -0.72 -0.82 120.64 131.71 3hvy n GLU 315 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 3hvy n GLU 315 Cb 0.05 0.00 0.51 0.00 0.27 0.00 0.00 31.44 32.27 3hvy n GLU 315 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3hvy h LEU 316 N 0.00 0.05 0.00 4.31 3.38 -1.34 -0.72 115.31 120.99 3hvy h LEU 316 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hvy h LEU 316 Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hvy h LEU 316 CO 0.00 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.71 3hvy n ALA 317 N -2.51 2.35 0.00 1.53 0.00 -0.00 -4.89 120.51 116.98 3hvy n ALA 317 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3hvy n ALA 317 Cb 0.21 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3hvy n ALA 317 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hvy n GLY 318 N 1.05 1.15 3.84 0.00 0.00 -0.28 -5.09 105.19 105.86 3hvy n GLY 318 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3hvy n GLY 318 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hvy s PHE 319 N -2.00 3.35 0.12 1.61 0.08 -1.25 -5.01 117.98 114.87 3hvy s PHE 319 Ca 0.00 0.17 -0.30 0.00 0.12 0.00 0.00 56.93 56.92 3hvy s PHE 319 Cb 0.00 -1.70 -0.06 0.00 -0.57 0.00 0.00 43.02 40.69 3hvy s PHE 319 CO 0.00 0.56 1.09 -0.51 -0.10 0.00 0.00 175.22 176.26 3hvy s ASP 320 N -2.33 7.27 0.07 1.36 1.01 -1.26 -3.95 116.67 118.84 3hvy s ASP 320 Ca 0.31 1.98 0.03 0.00 0.71 0.00 0.00 52.55 55.57 3hvy s ASP 320 Cb -0.12 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.18 3hvy s ASP 320 CO 0.23 -0.26 -0.09 0.68 0.21 0.00 0.00 175.17 175.94 3hvy s VAL 321 N 0.26 0.70 -0.16 -1.27 -7.23 -1.26 -1.04 120.40 110.39 3hvy s VAL 321 Ca 0.52 -1.37 -0.07 0.00 -1.81 0.00 0.00 61.98 59.24 3hvy s VAL 321 Cb -0.27 -1.00 0.07 0.00 0.56 0.00 0.00 36.38 35.73 3hvy s VAL 321 CO 0.32 -0.50 0.37 -0.22 -0.31 0.00 0.00 175.10 174.76 3hvy s LEU 322 N -2.04 -0.23 1.01 1.32 0.20 -0.47 -4.31 118.68 114.15 3hvy s LEU 322 Ca -0.02 0.83 -0.13 0.00 0.69 0.00 0.00 54.13 55.51 3hvy s LEU 322 Cb -0.06 1.17 0.19 0.00 -0.43 0.00 0.00 46.19 47.07 3hvy s LEU 322 CO -0.01 -0.21 1.10 -2.84 -0.29 0.00 0.00 176.35 174.10 3hvy s PRO 323 N 1.91 0.38 0.72 0.98 0.02 -1.26 -0.93 135.00 136.81 3hvy s PRO 323 Ca -0.05 0.45 -0.11 0.00 0.02 0.00 0.00 61.00 61.31 3hvy s PRO 323 Cb -0.10 -1.74 0.02 0.00 0.02 0.00 0.00 34.50 32.70 3hvy s PRO 323 CO -0.12 -2.75 1.07 0.15 -0.33 0.00 0.00 177.00 175.02 3hvy s LYS 324 N -5.00 2.78 0.53 5.54 -0.14 -1.26 -4.86 119.74 117.32 3hvy s LYS 324 Ca 0.65 0.80 0.24 0.00 -1.36 0.00 0.00 55.97 56.30 3hvy s LYS 324 Cb -0.18 -1.98 1.38 0.00 -1.68 0.00 0.00 37.83 35.36 3hvy s LYS 324 CO 0.57 -1.17 2.01 0.10 -0.76 0.00 0.00 175.35 176.10 3hvy h TYR 325 N -0.77 0.01 -0.59 3.18 -0.00 -1.82 -1.98 116.97 115.00 3hvy h TYR 325 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.28 3hvy h TYR 325 Cb 1.23 -0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.96 3hvy h TYR 325 CO 0.57 0.00 0.00 0.27 -0.00 0.00 0.00 178.16 179.00 3hvy n ASN 326 N -4.40 4.07 -4.65 0.10 6.94 -1.26 -4.80 115.26 111.27 3hvy n ASN 326 Ca 0.08 -2.24 -0.41 0.00 -0.02 0.00 0.00 54.58 51.99 3hvy n ASN 326 Cb 0.54 -0.48 -0.05 0.00 -2.36 0.00 0.00 39.78 37.44 3hvy n ASN 326 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3hvy s ASP 327 N -1.03 6.80 0.27 0.53 1.01 -0.75 -5.01 116.67 118.50 3hvy s ASP 327 Ca 0.44 0.99 -0.30 0.00 0.71 0.00 0.00 52.55 54.40 3hvy s ASP 327 Cb 0.26 -2.42 -0.10 0.00 1.01 0.00 0.00 42.92 41.67 3hvy s ASP 327 CO 0.25 -0.46 1.47 -0.54 0.21 0.00 0.00 175.17 176.10 3hvy s LYS 328 N 2.61 4.23 0.40 8.23 -0.14 -1.26 -4.80 119.74 129.01 3hvy s LYS 328 Ca 0.34 2.37 -0.07 0.00 -1.36 0.00 0.00 55.97 57.24 3hvy s LYS 328 Cb -0.16 -3.08 -0.05 0.00 -1.68 0.00 0.00 37.83 32.86 3hvy s LYS 328 CO 0.08 -0.46 0.72 1.03 -0.76 0.00 0.00 175.35 175.97 3hvy s ARG 329 N -0.58 3.67 0.00 1.68 1.81 -1.26 -5.00 118.95 119.28 3hvy s ARG 329 Ca 0.59 0.27 0.00 0.00 -1.72 0.00 0.00 55.73 54.87 3hvy s ARG 329 Cb -0.43 -2.45 0.00 0.00 -0.45 0.00 0.00 34.95 31.62 3hvy s ARG 329 CO 0.46 -0.02 0.00 -2.37 -0.68 0.00 0.00 175.30 172.68 3hvy n THR 330 N -1.51 0.00 -4.24 0.02 5.66 -1.26 -4.63 114.28 108.31 3hvy n THR 330 Ca 0.01 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.85 3hvy n THR 330 Cb 0.54 0.36 -0.06 0.00 -1.55 0.00 0.00 70.33 69.62 3hvy n THR 330 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3hvy n ASP 331 N -1.19 -0.24 -1.21 1.09 5.68 -1.26 -4.34 116.55 115.08 3hvy n ASP 331 Ca 0.00 -2.67 0.11 0.00 -0.50 0.00 0.00 54.79 51.73 3hvy n ASP 331 Cb 0.01 1.19 0.29 0.00 -1.14 0.00 0.00 41.12 41.47 3hvy n ASP 331 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3hvy n ILE 332 N -0.52 0.84 -3.23 2.12 -5.35 -1.06 -4.92 119.36 107.23 3hvy n ILE 332 Ca 0.04 -0.86 -0.37 0.00 -0.27 0.00 0.00 62.75 61.28 3hvy n ILE 332 Cb 0.46 0.49 -0.06 0.00 -1.74 0.00 0.00 39.64 38.80 3hvy n ILE 332 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3hvy s ILE 333 N -1.16 4.69 -0.08 7.28 -1.09 -1.26 -4.22 121.20 125.37 3hvy s ILE 333 Ca 0.44 1.19 0.02 0.00 -2.23 0.00 0.00 60.65 60.06 3hvy s ILE 333 Cb 0.23 -3.87 0.01 0.00 -1.58 0.00 0.00 42.46 37.25 3hvy s ILE 333 CO 0.30 0.40 -0.13 -1.58 -1.23 0.00 0.00 174.94 172.70 3hvy s GLN 334 N -1.51 1.84 -0.03 2.79 2.00 -0.30 -4.73 119.66 119.72 3hvy s GLN 334 Ca 0.35 -0.45 -0.00 0.00 -2.00 0.00 0.00 55.36 53.25 3hvy s GLN 334 Cb -0.18 -1.53 -0.04 0.00 0.80 0.00 0.00 33.01 32.06 3hvy s GLN 334 CO 0.20 0.01 0.02 0.00 -0.50 0.00 0.00 175.29 175.02 3hvy s ALA 335 N 0.74 3.35 -0.07 1.58 0.00 -0.11 -1.00 121.76 126.25 3hvy s ALA 335 Ca -0.13 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3hvy s ALA 335 Cb -0.16 -1.44 0.02 0.00 0.00 0.00 0.00 23.12 21.54 3hvy s ALA 335 CO 0.03 0.64 -0.06 0.42 0.00 0.00 0.00 175.76 176.78 3hvy s ILE 336 N -1.04 0.79 -0.44 0.00 1.01 0.02 -1.37 121.20 120.17 3hvy s ILE 336 Ca 0.18 -0.21 -0.19 0.00 0.00 0.00 0.00 60.65 60.43 3hvy s ILE 336 Cb -0.12 -0.81 0.03 0.00 0.01 0.00 0.00 42.46 41.57 3hvy s ILE 336 CO 0.08 0.30 0.56 -0.75 0.00 0.00 0.00 174.94 175.14 3hvy s LYS 337 N 1.29 3.18 0.15 2.79 2.20 -0.21 -0.62 119.74 128.52 3hvy s LYS 337 Ca -0.04 -0.60 0.17 0.00 -0.36 0.00 0.00 55.97 55.14 3hvy s LYS 337 Cb -0.14 -3.98 -0.05 0.00 -1.51 0.00 0.00 37.83 32.15 3hvy s LYS 337 CO -0.03 -0.98 1.05 0.74 -0.36 0.00 0.00 175.35 175.78 3hvy h PHE 338 N 8.84 0.00 -1.84 4.03 0.04 -1.02 -3.36 116.94 123.62 3hvy h PHE 338 Ca -0.26 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.17 3hvy h PHE 338 Cb 1.10 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.15 3hvy h PHE 338 CO 0.69 0.47 -0.35 0.09 -0.60 0.00 0.00 178.31 178.61 3hvy n ASN 339 N -2.97 -4.62 -3.62 2.17 3.02 0.34 -4.91 115.26 104.67 3hvy n ASN 339 Ca -0.05 0.32 -0.04 0.00 -0.03 0.00 0.00 54.58 54.79 3hvy n ASN 339 Cb 0.77 -4.08 -0.06 0.00 -0.61 0.00 0.00 39.78 35.80 3hvy n ASN 339 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hvy s ASP 340 N -2.32 -0.88 0.15 6.41 2.15 -1.26 -4.96 116.67 115.96 3hvy s ASP 340 Ca 0.00 1.32 -0.15 0.00 0.43 0.00 0.00 52.55 54.16 3hvy s ASP 340 Cb 0.00 1.63 0.02 0.00 -0.30 0.00 0.00 42.92 44.28 3hvy s ASP 340 CO 0.00 -0.20 1.72 -0.08 -0.17 0.00 0.00 175.17 176.44 3hvy h GLU 341 N 7.15 0.67 -0.45 4.34 4.81 -1.92 -2.28 114.58 126.90 3hvy h GLU 341 Ca -0.25 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 58.76 3hvy h GLU 341 Cb 1.18 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 3hvy h GLU 341 CO 0.14 0.57 -0.19 -0.22 -0.73 0.00 0.00 179.01 178.58 3hvy h LYS 342 N 0.60 0.88 -0.66 1.92 3.64 -1.98 -1.26 116.57 119.71 3hvy h LYS 342 Ca 0.16 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.17 3hvy h LYS 342 Cb 0.13 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 3hvy h LYS 342 CO -0.02 1.00 0.35 0.87 -2.27 0.00 0.00 179.45 179.37 3hvy h LYS 343 N 0.77 0.93 0.05 1.90 1.57 -1.89 -0.09 116.57 119.81 3hvy h LYS 343 Ca 0.11 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3hvy h LYS 343 Cb 0.73 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 3hvy h LYS 343 CO 0.06 0.72 -0.13 1.25 -0.57 0.00 0.00 179.45 180.77 3hvy h LEU 344 N 0.91 -0.37 -0.30 2.94 5.85 -1.17 -0.27 115.31 122.90 3hvy h LEU 344 Ca 0.23 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 3hvy h LEU 344 Cb 0.07 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3hvy h LEU 344 CO -0.03 -0.19 0.09 0.40 -0.34 0.00 0.00 178.44 178.37 3hvy h ILE 345 N -0.25 1.20 -0.67 4.05 2.04 -1.08 -1.29 117.51 121.51 3hvy h ILE 345 Ca 0.03 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3hvy h ILE 345 Cb 0.28 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 3hvy h ILE 345 CO -0.10 0.22 0.42 0.44 0.00 0.00 0.00 178.15 179.13 3hvy h ASP 346 N 0.32 0.78 0.02 1.72 3.32 -0.92 -0.55 116.42 121.11 3hvy h ASP 346 Ca 0.10 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3hvy h ASP 346 Cb 0.24 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3hvy h ASP 346 CO -0.00 0.58 -0.01 0.15 -1.72 0.00 0.00 179.24 178.23 3hvy h PHE 347 N 0.91 -0.03 -0.48 4.55 3.57 -0.49 -0.38 116.94 124.59 3hvy h PHE 347 Ca 0.24 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 3hvy h PHE 347 Cb -0.07 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3hvy h PHE 347 CO 0.00 0.11 0.02 0.82 -2.23 0.00 0.00 178.31 177.03 3hvy h ILE 348 N -0.17 1.24 -0.62 1.41 2.04 -0.91 -1.78 117.51 118.71 3hvy h ILE 348 Ca -0.00 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 64.84 3hvy h ILE 348 Cb 0.15 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3hvy h ILE 348 CO 0.01 0.34 0.17 0.11 0.00 0.00 0.00 178.15 178.78 3hvy h LYS 349 N 0.74 0.96 -0.72 2.37 1.57 -0.95 -2.09 116.57 118.45 3hvy h LYS 349 Ca 0.15 -0.20 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 3hvy h LYS 349 Cb 0.42 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 3hvy h LYS 349 CO 0.02 0.84 0.38 0.78 -0.57 0.00 0.00 179.45 180.89 3hvy h GLY 350 N 1.03 1.08 1.06 3.86 0.00 -0.25 -1.32 103.07 108.52 3hvy h GLY 350 Ca 0.20 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 3hvy h GLY 350 CO -0.00 0.09 0.17 -2.22 0.00 0.00 0.00 176.54 174.57 3hvy h ILE 351 N 0.65 1.26 -0.86 2.60 1.08 -0.71 -1.22 117.51 120.31 3hvy h ILE 351 Ca 0.34 -0.97 0.01 0.00 -0.39 0.00 0.00 64.86 63.85 3hvy h ILE 351 Cb 0.32 0.56 -0.04 0.00 -3.07 0.00 0.00 36.82 34.59 3hvy h ILE 351 CO -0.24 0.37 0.57 -0.61 -0.69 0.00 0.00 178.15 177.55 3hvy h GLN 352 N 1.04 1.13 0.00 2.37 5.75 -1.05 -2.01 115.11 122.34 3hvy h GLN 352 Ca 0.22 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 3hvy h GLN 352 Cb 0.38 -0.26 0.00 0.00 1.07 0.00 0.00 27.48 28.67 3hvy h GLN 352 CO 0.00 0.75 0.00 1.79 -2.65 0.00 0.00 178.83 178.72 3hvy h THR 353 N 1.17 0.00 -0.01 2.39 1.35 -0.45 -1.24 112.91 116.12 3hvy h THR 353 Ca 0.32 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3hvy h THR 353 Cb -0.13 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 3hvy h THR 353 CO -0.07 0.00 -0.00 0.00 -0.25 0.00 0.00 175.52 175.20 3hvy n ALA 354 N -2.00 2.63 -2.34 6.62 0.00 -0.54 -4.93 120.51 119.95 3hvy n ALA 354 Ca 0.01 -0.33 -0.34 0.00 0.00 0.00 0.00 53.44 52.78 3hvy n ALA 354 Cb 0.28 -1.33 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 3hvy n ALA 354 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3hvy s SER 355 N -2.00 6.75 0.27 0.00 0.01 -0.47 -4.84 113.70 113.42 3hvy s SER 355 Ca 0.43 1.06 0.11 0.00 1.31 0.00 0.00 55.95 58.85 3hvy s SER 355 Cb 0.21 -2.28 0.34 0.00 0.21 0.00 0.00 66.02 64.51 3hvy s SER 355 CO 0.35 -0.01 1.60 1.55 0.41 0.00 0.00 173.24 177.14 3hvy h PRO 356 N 2.96 0.00 -5.68 12.44 0.13 -1.89 -3.36 132.00 136.60 3hvy h PRO 356 Ca -0.48 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.99 3hvy h PRO 356 Cb 1.18 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.08 3hvy h PRO 356 CO 0.67 0.63 -0.73 0.08 -0.23 0.00 0.00 178.00 178.42 3hvy s VAL 357 N -3.58 3.38 -1.48 1.56 1.01 -1.22 -4.59 120.40 115.48 3hvy s VAL 357 Ca -0.01 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 3hvy s VAL 357 Cb 0.13 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 34.11 3hvy s VAL 357 CO 0.76 0.55 0.43 0.47 0.00 0.00 0.00 175.10 177.31 3hvy n ASP 358 N 3.01 -5.35 0.29 3.32 8.00 -1.26 -4.15 116.55 120.42 3hvy n ASP 358 Ca -0.18 -0.22 0.15 0.00 0.71 0.00 0.00 54.79 55.25 3hvy n ASP 358 Cb 0.53 -4.37 0.89 0.00 -0.02 0.00 0.00 41.12 38.14 3hvy n ASP 358 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3hvy h SER 359 N -0.96 0.00 0.47 -2.24 4.64 -1.77 -2.05 113.55 111.64 3hvy h SER 359 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3hvy h SER 359 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3hvy h SER 359 CO 0.54 0.01 -0.37 2.22 -0.87 0.00 0.00 176.83 178.37 3hvy n PHE 360 N -3.84 0.00 -2.51 4.77 1.16 -1.26 -4.19 117.46 111.59 3hvy n PHE 360 Ca -0.03 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.14 3hvy n PHE 360 Cb 0.10 -0.24 -0.03 0.00 -1.61 0.00 0.00 39.48 37.70 3hvy n PHE 360 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3hvy s VAL 361 N -2.84 4.12 0.44 1.97 1.01 -0.77 -5.01 120.40 119.32 3hvy s VAL 361 Ca 0.16 1.63 -0.23 0.00 0.00 0.00 0.00 61.98 63.54 3hvy s VAL 361 Cb 0.18 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.44 3hvy s VAL 361 CO 0.62 0.19 1.11 0.00 0.00 0.00 0.00 175.10 177.02 3hvy s GLN 362 N 0.49 3.90 0.10 2.72 0.00 -1.26 -4.95 119.66 120.66 3hvy s GLN 362 Ca 0.54 1.62 -0.07 0.00 -0.00 0.00 0.00 55.36 57.45 3hvy s GLN 362 Cb -0.28 -2.41 -0.01 0.00 0.00 0.00 0.00 33.01 30.31 3hvy s GLN 362 CO 0.31 -0.39 0.15 0.00 0.00 0.00 0.00 175.29 175.36 3hvy n LYS 374 N -0.05 -3.26 -3.91 0.00 4.81 -1.26 -5.08 118.16 109.40 3hvy n LYS 374 Ca -0.13 2.38 -0.29 0.00 -0.87 0.00 0.00 58.31 59.41 3hvy n LYS 374 Cb 0.62 -2.64 -0.16 0.00 0.02 0.00 0.00 35.03 32.87 3hvy n LYS 374 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3hvy s VAL 375 N -2.11 1.20 0.71 3.15 1.01 -1.26 0.89 120.40 123.98 3hvy s VAL 375 Ca 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 3hvy s VAL 375 Cb 0.00 -1.36 0.11 0.00 0.00 0.00 0.00 36.38 35.13 3hvy s VAL 375 CO 0.00 0.13 0.98 -0.51 0.00 0.00 0.00 175.10 175.70 3hvy s ILE 376 N 1.59 2.24 -0.06 2.22 2.07 -0.45 -4.91 121.20 123.90 3hvy s ILE 376 Ca 0.00 -0.53 -0.02 0.00 -1.41 0.00 0.00 60.65 58.69 3hvy s ILE 376 Cb -0.15 -2.71 0.04 0.00 0.13 0.00 0.00 42.46 39.77 3hvy s ILE 376 CO -0.08 0.00 0.12 0.00 -1.91 0.00 0.00 174.94 173.07 3hvy s ALA 378 N -3.14 -0.10 -0.37 1.50 0.00 0.68 -1.39 121.76 118.94 3hvy s ALA 378 Ca 0.65 0.51 0.13 0.00 0.00 0.00 0.00 51.96 53.24 3hvy s ALA 378 Cb -0.07 -0.54 0.41 0.00 0.00 0.00 0.00 23.12 22.92 3hvy s ALA 378 CO 0.44 -0.31 1.11 0.00 0.00 0.00 0.00 175.76 177.00 3hvy n ALA 379 N 4.66 1.96 -3.10 0.00 0.00 -1.26 -2.41 120.51 120.37 3hvy n ALA 379 Ca -0.18 -2.25 -0.44 0.00 0.00 0.00 0.00 53.44 50.57 3hvy n ALA 379 Cb 0.51 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.97 3hvy n ALA 379 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hvy s GLY 380 N -2.09 2.69 0.23 0.00 0.00 -1.26 -4.86 107.32 102.03 3hvy s GLY 380 Ca 0.26 -3.50 0.09 0.00 0.00 0.00 0.00 44.72 41.56 3hvy s GLY 380 CO -0.03 1.77 -0.15 -0.51 0.00 0.00 0.00 173.10 174.17 3hvy s THR 381 N 0.58 1.91 0.16 0.90 -4.23 -1.26 -3.42 115.64 110.29 3hvy s THR 381 Ca 0.37 -2.25 -0.10 0.00 -1.18 0.00 0.00 61.69 58.53 3hvy s THR 381 Cb -0.06 -2.14 -0.01 0.00 1.34 0.00 0.00 72.50 71.64 3hvy s THR 381 CO -0.04 -0.53 1.53 -0.26 -0.54 0.00 0.00 174.62 174.79 3hvy h PHE 382 N 2.47 1.11 -3.36 3.99 0.04 -1.95 -3.43 116.94 115.81 3hvy h PHE 382 Ca -0.39 -0.29 -0.64 0.00 2.80 0.00 0.00 57.97 59.45 3hvy h PHE 382 Cb 1.23 -0.25 -0.22 0.00 2.20 0.00 0.00 35.95 38.91 3hvy h PHE 382 CO 0.74 1.11 -0.66 0.08 -0.60 0.00 0.00 178.31 178.98 3hvy s VAL 383 N -4.56 3.93 -0.15 -0.55 1.01 -1.26 -5.06 120.40 113.76 3hvy s VAL 383 Ca -0.11 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 3hvy s VAL 383 Cb 0.12 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 3hvy s VAL 383 CO 0.87 0.46 1.57 -1.58 0.00 0.00 0.00 175.10 176.42 3hvy s GLN 384 N 0.66 4.01 0.00 2.72 0.74 -1.26 -1.75 119.66 124.78 3hvy s GLN 384 Ca -0.01 1.85 0.00 0.00 0.05 0.00 0.00 55.36 57.25 3hvy s GLN 384 Cb -0.14 -3.97 0.00 0.00 1.10 0.00 0.00 33.01 30.00 3hvy s GLN 384 CO 0.02 -1.03 0.00 0.41 -0.55 0.00 0.00 175.29 174.14 3hvy n GLY 385 N 4.29 0.77 3.64 2.59 0.00 -1.26 -5.02 105.19 110.21 3hvy n GLY 385 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3hvy n GLY 385 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hvy s ALA 386 N -2.92 3.41 -2.72 4.61 0.00 -0.72 -4.90 121.76 118.52 3hvy s ALA 386 Ca 0.00 0.62 0.25 0.00 0.00 0.00 0.00 51.96 52.83 3hvy s ALA 386 Cb 0.00 -3.80 0.57 0.00 0.00 0.00 0.00 23.12 19.89 3hvy s ALA 386 CO 0.00 -1.72 1.47 -1.13 0.00 0.00 0.00 175.76 174.38 3hvy n SER 387 N 7.92 2.39 0.24 0.00 3.41 -0.90 -3.52 113.62 123.16 3hvy n SER 387 Ca 0.18 -1.79 0.15 0.00 -0.26 0.00 0.00 58.87 57.15 3hvy n SER 387 Cb 0.44 -0.03 0.49 0.00 -0.26 0.00 0.00 64.21 64.85 3hvy n SER 387 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3hvy h ILE 388 N 3.64 0.00 -3.82 -1.33 6.09 -1.82 -3.30 117.51 116.98 3hvy h ILE 388 Ca 0.00 -0.66 -0.49 0.00 -1.37 0.00 0.00 64.86 62.34 3hvy h ILE 388 Cb 0.78 1.65 -0.01 0.00 0.47 0.00 0.00 36.82 39.71 3hvy h ILE 388 CO 0.00 0.00 0.17 -1.61 -3.07 0.00 0.00 178.15 173.64 3hvy s GLU 389 N -3.47 3.91 0.05 2.19 2.02 -1.23 -0.11 118.70 122.06 3hvy s GLU 389 Ca 0.04 0.66 -0.33 0.00 0.02 0.00 0.00 54.97 55.36 3hvy s GLU 389 Cb 0.08 -2.35 -0.11 0.00 0.10 0.00 0.00 34.13 31.85 3hvy s GLU 389 CO 0.58 -0.01 1.82 -0.11 0.02 0.00 0.00 175.26 177.55 3hvy n LEU 390 N -0.99 3.67 -3.82 1.80 7.94 -1.26 -4.16 117.00 120.18 3hvy n LEU 390 Ca 0.04 0.99 -0.08 0.00 -1.11 0.00 0.00 56.01 55.85 3hvy n LEU 390 Cb 0.54 -1.46 -0.02 0.00 0.53 0.00 0.00 43.42 43.00 3hvy n LEU 390 CO 0.45 0.01 0.42 -0.94 -1.11 0.00 0.00 177.39 176.22 3hvy s SER 391 N 3.01 -0.27 -0.02 1.96 1.04 -0.43 -4.53 113.70 114.45 3hvy s SER 391 Ca 0.86 -0.57 -0.30 0.00 0.48 0.00 0.00 55.95 56.41 3hvy s SER 391 Cb -0.59 0.69 0.07 0.00 0.10 0.00 0.00 66.02 66.30 3hvy s SER 391 CO 0.43 -1.27 0.67 0.00 0.98 0.00 0.00 173.24 174.04 3hvy s ALA 392 N -3.91 -1.75 0.19 5.32 0.00 -1.01 -1.54 121.76 119.07 3hvy s ALA 392 Ca 0.11 1.21 -0.16 0.00 0.00 0.00 0.00 51.96 53.12 3hvy s ALA 392 Cb -0.05 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.21 3hvy s ALA 392 CO 0.05 -0.42 0.49 0.16 0.00 0.00 0.00 175.76 176.03 3hvy s ASP 393 N -1.39 -0.21 -0.29 0.00 -4.77 -0.21 -0.23 116.67 109.58 3hvy s ASP 393 Ca -0.09 -0.56 -0.18 0.00 -3.30 0.00 0.00 52.55 48.41 3hvy s ASP 393 Cb -0.00 0.56 0.14 0.00 -1.09 0.00 0.00 42.92 42.53 3hvy s ASP 393 CO 0.07 -1.04 1.01 0.00 0.70 0.00 0.00 175.17 175.91 3hvy s ALA 394 N -3.89 -2.20 0.34 2.11 0.00 -0.48 -1.45 121.76 116.18 3hvy s ALA 394 Ca 0.11 2.11 -0.27 0.00 0.00 0.00 0.00 51.96 53.91 3hvy s ALA 394 Cb -0.00 -1.65 -0.09 0.00 0.00 0.00 0.00 23.12 21.37 3hvy s ALA 394 CO -0.02 -0.31 1.10 -1.25 0.00 0.00 0.00 175.76 175.29 3hvy s PRO 395 N 1.03 4.36 -0.96 0.00 0.04 -1.26 -1.35 135.00 136.85 3hvy s PRO 395 Ca -0.06 1.73 -0.20 0.00 0.04 0.00 0.00 61.00 62.51 3hvy s PRO 395 Cb -0.04 -2.87 0.10 0.00 0.04 0.00 0.00 34.50 31.73 3hvy s PRO 395 CO -0.13 -0.02 1.24 0.42 0.04 0.00 0.00 177.00 178.55 3hvy s ILE 396 N -1.37 4.45 0.02 0.56 -1.09 0.26 -4.74 121.20 119.28 3hvy s ILE 396 Ca 0.51 -1.30 -0.28 0.00 -2.23 0.00 0.00 60.65 57.36 3hvy s ILE 396 Cb -0.29 -4.88 0.07 0.00 -1.58 0.00 0.00 42.46 35.78 3hvy s ILE 396 CO 0.37 -1.66 0.64 0.00 -1.23 0.00 0.00 174.94 173.06 3hvy s ARG 397 N 3.47 1.12 0.48 2.79 1.70 -1.26 -4.61 118.95 122.64 3hvy s ARG 397 Ca 0.37 0.00 -0.24 0.00 -0.47 0.00 0.00 55.73 55.40 3hvy s ARG 397 Cb -0.03 0.52 -0.08 0.00 -0.57 0.00 0.00 34.95 34.79 3hvy s ARG 397 CO -0.10 -0.40 1.27 0.39 -1.08 0.00 0.00 175.30 175.38 3hvy n GLU 398 N 0.50 1.75 -0.84 3.89 -0.58 -1.26 -0.68 120.64 123.42 3hvy n GLU 398 Ca -0.18 0.63 -0.17 0.00 -0.42 0.00 0.00 57.16 57.02 3hvy n GLU 398 Cb 0.60 -2.42 0.11 0.00 -0.57 0.00 0.00 31.44 29.15 3hvy n GLU 398 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3hvy n PRO 399 N -0.40 1.86 -3.27 3.49 -0.04 -1.26 -4.90 135.00 130.48 3hvy n PRO 399 Ca 0.08 -1.99 -0.13 0.00 -0.04 0.00 0.00 63.50 61.43 3hvy n PRO 399 Cb 0.42 -1.78 0.04 0.00 -0.04 0.00 0.00 33.50 32.14 3hvy n PRO 399 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hvy n TYR 400 N -0.48 -2.54 -3.18 0.54 4.01 0.14 -0.51 117.16 115.14 3hvy n TYR 400 Ca 0.39 0.89 -0.39 0.00 -0.16 0.00 0.00 57.90 58.64 3hvy n TYR 400 Cb 1.15 -3.98 -0.06 0.00 -0.31 0.00 0.00 39.34 36.15 3hvy n TYR 400 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3hvy s ILE 401 N -3.26 4.73 0.14 -0.72 1.01 -1.26 -0.73 121.20 121.11 3hvy s ILE 401 Ca 0.30 1.34 0.10 0.00 0.00 0.00 0.00 60.65 62.38 3hvy s ILE 401 Cb -0.05 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 3hvy s ILE 401 CO 0.77 0.49 -0.20 -0.83 0.00 0.00 0.00 174.94 175.16 3hvy s GLY 402 N -0.73 1.67 -0.15 6.18 0.00 0.21 -4.58 107.32 109.91 3hvy s GLY 402 Ca 0.31 -1.43 0.02 0.00 0.00 0.00 0.00 44.72 43.62 3hvy s GLY 402 CO 0.20 -1.42 -0.21 -0.19 0.00 0.00 0.00 173.10 171.48 3hvy s TYR 403 N -1.23 2.64 -0.01 1.90 2.02 -0.53 -0.80 117.35 121.34 3hvy s TYR 403 Ca 0.18 -1.42 0.04 0.00 -0.37 0.00 0.00 57.07 55.50 3hvy s TYR 403 Cb -0.10 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.61 3hvy s TYR 403 CO 0.09 -0.67 -0.10 -1.17 -1.57 0.00 0.00 175.55 172.13 3hvy s LEU 404 N 1.02 3.00 -0.07 -1.29 2.96 -0.17 -1.04 118.68 123.09 3hvy s LEU 404 Ca -0.02 -0.18 -0.26 0.00 -0.22 0.00 0.00 54.13 53.44 3hvy s LEU 404 Cb -0.14 -1.70 0.06 0.00 0.50 0.00 0.00 46.19 44.90 3hvy s LEU 404 CO -0.06 0.30 0.60 0.00 -1.32 0.00 0.00 176.35 175.87 3hvy s GLN 405 N -1.21 0.93 0.00 1.98 0.00 -0.59 -1.15 119.66 119.62 3hvy s GLN 405 Ca 0.15 0.26 0.00 0.00 -0.00 0.00 0.00 55.36 55.77 3hvy s GLN 405 Cb -0.11 0.44 0.00 0.00 0.00 0.00 0.00 33.01 33.34 3hvy s GLN 405 CO 0.05 -0.26 0.00 0.41 0.00 0.00 0.00 175.29 175.49 3hvy n GLY 406 N 1.26 0.16 0.00 2.60 0.00 -1.24 -1.32 105.19 106.66 3hvy n GLY 406 Ca -0.19 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.89 3hvy n GLY 406 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hvy n GLY 407 N 0.10 1.73 0.28 -0.02 0.00 0.84 -4.31 105.19 103.81 3hvy n GLY 407 Ca 0.00 0.21 0.06 0.00 0.00 0.00 0.00 46.02 46.29 3hvy n GLY 407 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hvy h LEU 408 N 0.00 0.20 -8.32 0.99 3.38 -1.90 -3.31 115.31 106.34 3hvy h LEU 408 Ca 0.00 -0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.67 3hvy h LEU 408 Cb 0.00 -0.05 -0.19 0.00 0.09 0.00 0.00 40.66 40.51 3hvy h LEU 408 CO 0.00 0.16 -0.73 0.42 0.09 0.00 0.00 178.44 178.38 3hvy s THR 409 N -5.23 0.74 0.28 0.22 -4.23 -1.26 -4.84 115.64 101.32 3hvy s THR 409 Ca -0.06 -1.43 -0.01 0.00 -1.18 0.00 0.00 61.69 59.01 3hvy s THR 409 Cb 0.17 -1.08 0.15 0.00 1.34 0.00 0.00 72.50 73.08 3hvy s THR 409 CO 0.70 -0.51 1.82 0.15 -0.54 0.00 0.00 174.62 176.24 3hvy h PHE 410 N 3.91 0.83 -0.87 3.99 3.57 -1.82 -2.66 116.94 123.90 3hvy h PHE 410 Ca -0.37 -0.08 0.10 0.00 3.53 0.00 0.00 57.97 61.16 3hvy h PHE 410 Cb 1.19 -0.24 -0.08 0.00 2.79 0.00 0.00 35.95 39.61 3hvy h PHE 410 CO 0.63 0.71 0.51 -0.44 -2.23 0.00 0.00 178.31 177.49 3hvy h ASP 411 N 0.77 0.73 -0.06 0.41 3.32 -1.96 0.19 116.42 119.82 3hvy h ASP 411 Ca 0.17 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 3hvy h ASP 411 Cb 0.31 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3hvy h ASP 411 CO 0.00 0.40 -0.02 -0.74 -1.72 0.00 0.00 179.24 177.17 3hvy h HIS 412 N 0.83 0.13 -0.24 4.55 2.76 -1.90 -0.36 115.15 120.92 3hvy h HIS 412 Ca 0.42 -0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.59 3hvy h HIS 412 Cb 0.40 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.30 3hvy h HIS 412 CO -0.05 0.45 0.08 0.00 -1.30 0.00 0.00 177.93 177.12 3hvy h ALA 413 N 0.66 0.27 -0.15 5.26 0.00 -1.14 -0.56 119.26 123.61 3hvy h ALA 413 Ca 0.02 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3hvy h ALA 413 Cb 0.41 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3hvy h ALA 413 CO 0.01 -0.33 -0.08 -0.22 0.00 0.00 0.00 179.25 178.63 3hvy h LYS 414 N 0.20 -0.06 -0.85 0.00 3.64 -0.62 -1.35 116.57 117.53 3hvy h LYS 414 Ca 0.11 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3hvy h LYS 414 Cb 0.07 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 3hvy h LYS 414 CO -0.11 -0.04 0.44 -0.07 -2.27 0.00 0.00 179.45 177.40 3hvy h LEU 415 N -0.07 1.08 -0.63 5.20 3.38 -0.68 -1.49 115.31 122.11 3hvy h LEU 415 Ca 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3hvy h LEU 415 Cb 0.19 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3hvy h LEU 415 CO -0.20 0.89 0.34 1.23 0.09 0.00 0.00 178.44 180.79 3hvy h GLY 416 N 1.19 0.95 1.04 0.83 0.00 -0.81 -1.76 103.07 104.52 3hvy h GLY 416 Ca 0.30 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 3hvy h GLY 416 CO -0.04 0.42 0.38 -2.08 0.00 0.00 0.00 176.54 175.22 3hvy h VAL 417 N 0.86 1.26 -0.56 4.60 2.07 -0.50 -0.68 116.25 123.30 3hvy h VAL 417 Ca 0.22 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 3hvy h VAL 417 Cb 0.06 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 3hvy h VAL 417 CO -0.03 0.32 0.19 -0.07 0.02 0.00 0.00 177.57 178.01 3hvy h LEU 418 N 1.21 0.79 -0.09 2.57 3.38 -1.01 0.30 115.31 122.46 3hvy h LEU 418 Ca 0.29 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hvy h LEU 418 Cb 0.15 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3hvy h LEU 418 CO -0.03 0.77 0.04 0.40 0.09 0.00 0.00 178.44 179.71 3hvy h ILE 419 N 0.77 1.14 -0.37 1.22 2.04 -1.12 -0.94 117.51 120.25 3hvy h ILE 419 Ca 0.18 -0.41 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 3hvy h ILE 419 Cb 0.25 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3hvy h ILE 419 CO -0.01 0.12 -0.14 0.00 0.00 0.00 0.00 178.15 178.12 3hvy h ALA 420 N 0.88 0.51 -0.37 1.87 0.00 -0.96 -3.00 119.26 118.19 3hvy h ALA 420 Ca 0.03 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 3hvy h ALA 420 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hvy h ALA 420 CO -0.00 0.41 -0.01 1.25 0.00 0.00 0.00 179.25 180.90 3hvy h LEU 421 N 0.54 0.55 -2.57 0.00 5.85 -0.35 -2.16 115.31 117.17 3hvy h LEU 421 Ca 0.09 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3hvy h LEU 421 Cb 0.68 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 3hvy h LEU 421 CO 0.05 0.63 -0.00 0.28 -0.34 0.00 0.00 178.44 179.06 3hvy h SER 422 N 0.56 0.00 1.03 1.25 0.02 -1.02 0.16 113.55 115.55 3hvy h SER 422 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3hvy h SER 422 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3hvy h SER 422 CO 0.01 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 176.00 3hvy n LYS 423 N -3.11 0.08 -0.05 3.45 5.02 -0.81 -4.20 118.16 118.55 3hvy n LYS 423 Ca -0.02 0.13 -0.05 0.00 -2.02 0.00 0.00 58.31 56.34 3hvy n LYS 423 Cb 0.14 -1.61 -0.06 0.00 -0.02 0.00 0.00 35.03 33.47 3hvy n LYS 423 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hvy n LEU 424 N -1.76 0.89 0.00 -0.35 4.77 -0.04 -5.02 117.00 115.50 3hvy n LEU 424 Ca 0.06 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3hvy n LEU 424 Cb 0.33 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3hvy n LEU 424 CO 0.25 0.36 0.10 2.30 -1.33 0.00 0.00 177.39 179.07