#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ney s ARG 3 N 0.00 4.11 0.05 0.00 0.52 -1.26 -5.00 118.95 117.36 1ney s ARG 3 Ca 0.00 1.13 -0.31 0.00 -0.52 0.00 0.00 55.73 56.04 1ney s ARG 3 Cb 0.00 -3.72 -0.07 0.00 0.52 0.00 0.00 34.95 31.68 1ney s ARG 3 CO 0.00 -0.85 1.49 0.99 0.02 0.00 0.00 175.30 176.96 1ney s THR 4 N 3.56 3.36 0.18 0.02 2.01 -1.26 -4.95 115.64 118.57 1ney s THR 4 Ca 0.45 0.83 -0.33 0.00 0.31 0.00 0.00 61.69 62.95 1ney s THR 4 Cb -0.13 -3.53 -0.14 0.00 0.01 0.00 0.00 72.50 68.71 1ney s THR 4 CO 0.13 0.01 1.55 0.33 -0.69 0.00 0.00 174.62 175.95 1ney n PHE 5 N 5.15 2.29 -4.96 4.92 7.35 -1.26 -4.78 117.46 126.17 1ney n PHE 5 Ca 0.14 0.29 -0.30 0.00 -0.76 0.00 0.00 57.45 56.83 1ney n PHE 5 Cb 0.42 -2.53 -0.17 0.00 0.35 0.00 0.00 39.48 37.55 1ney n PHE 5 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 1ney s PHE 6 N 0.68 2.20 -0.19 -5.13 2.19 -0.73 -1.09 117.98 115.91 1ney s PHE 6 Ca 0.76 -0.90 0.00 0.00 0.33 0.00 0.00 56.93 57.12 1ney s PHE 6 Cb -0.66 -1.50 0.05 0.00 -1.31 0.00 0.00 43.02 39.59 1ney s PHE 6 CO 0.40 -0.39 -0.07 0.08 1.83 0.00 0.00 175.22 177.08 1ney s VAL 7 N 0.49 1.38 -0.04 3.12 1.01 -0.06 -1.45 120.40 124.84 1ney s VAL 7 Ca -0.17 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 60.80 1ney s VAL 7 Cb -0.17 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 1ney s VAL 7 CO 0.06 0.09 0.31 -0.83 0.00 0.00 0.00 175.10 174.73 1ney s GLY 8 N 1.50 2.37 -0.34 4.51 0.00 0.05 -1.32 107.32 114.09 1ney s GLY 8 Ca -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 44.72 44.33 1ney s GLY 8 CO -0.08 -0.04 0.07 -0.32 0.00 0.00 0.00 173.10 172.73 1ney s GLY 9 N -1.06 1.85 -0.57 0.20 0.00 0.45 -0.67 107.32 107.52 1ney s GLY 9 Ca 0.21 -2.14 -0.20 0.00 0.00 0.00 0.00 44.72 42.59 1ney s GLY 9 CO 0.10 0.84 0.74 0.21 0.00 0.00 0.00 173.10 174.98 1ney s ASN 10 N 1.38 6.21 0.46 1.64 2.47 0.53 -0.19 114.94 127.44 1ney s ASN 10 Ca 0.01 -1.07 0.31 0.00 0.42 0.00 0.00 52.86 52.53 1ney s ASN 10 Cb -0.21 -2.33 1.33 0.00 -1.45 0.00 0.00 41.25 38.59 1ney s ASN 10 CO -0.03 -1.09 1.92 -0.26 -3.72 0.00 0.00 177.10 173.91 1ney h PHE 11 N 9.19 0.00 0.00 0.43 0.04 -1.68 -3.39 116.94 121.53 1ney h PHE 11 Ca -0.28 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.49 1ney h PHE 11 Cb 1.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.24 1ney h PHE 11 CO 0.83 0.00 0.00 1.63 -0.60 0.00 0.00 178.31 180.17 1ney n LYS 12 N -2.78 0.00 -2.46 1.51 5.02 -1.26 -3.48 118.16 114.71 1ney n LYS 12 Ca 0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.87 1ney n LYS 12 Cb 0.25 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.26 1ney n LYS 12 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ney n LEU 13 N 0.00 6.37 -3.74 -0.35 7.94 -1.26 -4.32 117.00 121.64 1ney n LEU 13 Ca 0.00 -4.62 -0.14 0.00 -1.11 0.00 0.00 56.01 50.15 1ney n LEU 13 Cb 0.00 -1.50 -0.09 0.00 0.53 0.00 0.00 43.42 42.36 1ney n LEU 13 CO 0.00 1.25 0.06 0.20 -1.11 0.00 0.00 177.39 177.79 1ney s ASN 14 N 1.22 -0.27 0.00 1.96 0.01 -1.23 -5.14 114.94 111.50 1ney s ASN 14 Ca 0.40 0.28 0.00 0.00 -0.71 0.00 0.00 52.86 52.83 1ney s ASN 14 Cb 0.07 0.43 0.00 0.00 0.41 0.00 0.00 41.25 42.16 1ney s ASN 14 CO 0.01 -0.39 0.00 0.61 -1.51 0.00 0.00 177.10 175.82 1ney n GLY 15 N 1.61 3.18 3.21 0.66 0.00 -1.26 -4.61 105.19 107.98 1ney n GLY 15 Ca -0.20 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 43.75 1ney n GLY 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ney s SER 16 N 0.00 0.21 0.23 1.61 1.04 -1.26 -4.99 113.70 110.55 1ney s SER 16 Ca 0.00 -0.96 -0.06 0.00 0.48 0.00 0.00 55.95 55.42 1ney s SER 16 Cb 0.00 0.33 0.37 0.00 0.10 0.00 0.00 66.02 66.82 1ney s SER 16 CO 0.00 -0.76 1.78 0.11 0.98 0.00 0.00 173.24 175.35 1ney h LYS 17 N 2.78 0.63 -0.24 4.02 1.57 -2.00 0.57 116.57 123.90 1ney h LYS 17 Ca -0.34 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.37 1ney h LYS 17 Cb 1.20 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1ney h LYS 17 CO 0.56 0.41 -0.00 0.37 -0.57 0.00 0.00 179.45 180.22 1ney h GLN 18 N 0.65 0.43 0.00 3.15 4.15 -1.99 -1.16 115.11 120.33 1ney h GLN 18 Ca 0.37 -0.14 -0.17 0.00 0.77 0.00 0.00 58.65 59.48 1ney h GLN 18 Cb 0.39 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 1ney h GLN 18 CO -0.27 0.61 -0.83 0.66 -1.93 0.00 0.00 178.83 177.07 1ney h SER 19 N 0.20 0.00 -0.15 -0.69 4.64 -1.87 -2.03 113.55 113.65 1ney h SER 19 Ca 0.07 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.18 1ney h SER 19 Cb 0.42 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1ney h SER 19 CO 0.01 0.83 -0.71 0.40 -0.87 0.00 0.00 176.83 176.50 1ney h ILE 20 N 0.00 1.28 -0.70 0.95 2.04 -0.89 -2.21 117.51 117.98 1ney h ILE 20 Ca -0.01 -1.91 0.09 0.00 1.00 0.00 0.00 64.86 64.03 1ney h ILE 20 Cb 1.50 1.89 -0.07 0.00 -0.74 0.00 0.00 36.82 39.39 1ney h ILE 20 CO 0.11 0.61 0.34 0.50 0.00 0.00 0.00 178.15 179.71 1ney h LYS 21 N 0.55 0.57 -0.63 2.37 3.64 -1.02 -0.89 116.57 121.16 1ney h LYS 21 Ca -0.03 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1ney h LYS 21 Cb 1.33 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1ney h LYS 21 CO 0.15 0.38 0.22 0.93 -2.27 0.00 0.00 179.45 178.85 1ney h GLU 22 N 0.58 0.94 -0.26 1.90 5.08 -1.19 0.20 114.58 121.84 1ney h GLU 22 Ca 0.35 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1ney h GLU 22 Cb 0.37 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1ney h GLU 22 CO -0.27 0.79 0.07 0.82 -1.00 0.00 0.00 179.01 179.42 1ney h ILE 23 N 0.92 1.21 -0.30 3.13 2.04 -0.74 -1.96 117.51 121.81 1ney h ILE 23 Ca 0.21 -0.67 -0.11 0.00 1.00 0.00 0.00 64.86 65.29 1ney h ILE 23 Cb 0.23 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1ney h ILE 23 CO -0.01 0.22 -0.24 0.58 0.00 0.00 0.00 178.15 178.70 1ney h VAL 24 N 0.25 1.30 -0.49 1.67 2.07 -0.98 -2.23 116.25 117.83 1ney h VAL 24 Ca 0.08 -1.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 1ney h VAL 24 Cb 0.26 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1ney h VAL 24 CO -0.00 0.45 0.17 -0.33 0.02 0.00 0.00 177.57 177.88 1ney h GLU 25 N 0.45 0.72 -0.70 1.57 5.08 -0.99 0.25 114.58 120.96 1ney h GLU 25 Ca 0.06 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1ney h GLU 25 Cb 0.80 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 1ney h GLU 25 CO 0.06 0.61 0.19 -0.09 -1.00 0.00 0.00 179.01 178.78 1ney h ARG 26 N 0.71 1.11 -0.67 2.33 2.43 -1.14 -2.30 114.38 116.84 1ney h ARG 26 Ca 0.17 -0.26 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 1ney h ARG 26 Cb 0.18 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1ney h ARG 26 CO -0.01 0.97 0.22 -0.07 -1.51 0.00 0.00 179.97 179.57 1ney h LEU 27 N 1.05 0.96 -1.32 3.80 3.38 -0.77 -1.70 115.31 120.71 1ney h LEU 27 Ca 0.22 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1ney h LEU 27 Cb 0.35 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1ney h LEU 27 CO -0.00 0.91 0.49 0.78 0.09 0.00 0.00 178.44 180.70 1ney h ASN 28 N 0.97 0.75 -0.33 -0.43 2.35 -0.62 -2.59 115.58 115.67 1ney h ASN 28 Ca 0.22 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1ney h ASN 28 Cb 0.28 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1ney h ASN 28 CO -0.01 0.50 0.00 0.35 -1.65 0.00 0.00 177.43 176.62 1ney n THR 29 N -4.46 0.52 -2.33 2.81 -2.24 -0.90 -4.87 114.28 102.81 1ney n THR 29 Ca 0.10 -0.76 -0.34 0.00 -2.27 0.00 0.00 64.05 60.78 1ney n THR 29 Cb 0.16 0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 69.31 1ney n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ney s ALA 30 N -1.30 2.77 -0.61 6.98 0.00 -0.66 -4.99 121.76 123.95 1ney s ALA 30 Ca 0.32 0.65 -0.22 0.00 0.00 0.00 0.00 51.96 52.71 1ney s ALA 30 Cb 0.19 -3.29 0.07 0.00 0.00 0.00 0.00 23.12 20.09 1ney s ALA 30 CO 0.26 -0.59 0.87 -1.12 0.00 0.00 0.00 175.76 175.18 1ney s SER 31 N -2.06 6.21 0.10 0.00 0.01 -1.26 -5.02 113.70 111.68 1ney s SER 31 Ca 0.69 -0.93 0.05 0.00 1.31 0.00 0.00 55.95 57.07 1ney s SER 31 Cb -0.19 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 1ney s SER 31 CO 0.26 -1.27 -0.13 0.27 0.41 0.00 0.00 173.24 172.77 1ney s ILE 32 N 3.63 1.19 0.73 1.44 -4.36 -1.26 -4.96 121.20 117.61 1ney s ILE 32 Ca 0.21 -1.56 -0.13 0.00 -0.26 0.00 0.00 60.65 58.91 1ney s ILE 32 Cb -0.18 -1.34 0.04 0.00 1.25 0.00 0.00 42.46 42.23 1ney s ILE 32 CO 0.12 -0.37 1.12 -2.84 0.24 0.00 0.00 174.94 173.20 1ney s PRO 33 N -2.37 2.34 0.22 0.37 0.02 -1.26 -4.96 135.00 129.36 1ney s PRO 33 Ca 0.04 1.38 -0.03 0.00 0.02 0.00 0.00 61.00 62.42 1ney s PRO 33 Cb -0.06 -1.89 0.21 0.00 0.02 0.00 0.00 34.50 32.78 1ney s PRO 33 CO 0.02 -1.61 1.62 0.93 -0.33 0.00 0.00 177.00 177.64 1ney h GLU 34 N -0.60 0.69 -2.39 5.54 5.08 -2.02 -3.35 114.58 117.52 1ney h GLU 34 Ca -0.45 -0.30 -0.76 0.00 -1.00 0.00 0.00 59.36 56.85 1ney h GLU 34 Cb 1.25 -0.02 -0.20 0.00 0.50 0.00 0.00 28.75 30.28 1ney h GLU 34 CO 0.51 0.89 1.63 -1.71 -1.00 0.00 0.00 179.01 179.33 1ney n ASN 35 N -4.09 7.64 -4.09 1.42 5.15 -1.26 -4.87 115.26 115.16 1ney n ASN 35 Ca -0.01 -3.43 -0.14 0.00 -0.60 0.00 0.00 54.58 50.40 1ney n ASN 35 Cb 0.46 -1.25 -0.12 0.00 -0.53 0.00 0.00 39.78 38.34 1ney n ASN 35 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1ney s VAL 36 N -2.85 0.69 -0.23 3.44 1.01 -1.26 -4.20 120.40 116.99 1ney s VAL 36 Ca 0.47 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1ney s VAL 36 Cb 0.21 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.89 1ney s VAL 36 CO -0.13 -0.34 -0.09 -0.70 0.00 0.00 0.00 175.10 173.83 1ney s GLU 37 N -1.62 2.86 -0.17 2.72 2.12 -0.25 -4.74 118.70 119.61 1ney s GLU 37 Ca -0.08 -0.95 -0.02 0.00 0.36 0.00 0.00 54.97 54.28 1ney s GLU 37 Cb -0.10 -2.89 -0.01 0.00 0.26 0.00 0.00 34.13 31.39 1ney s GLU 37 CO 0.01 -0.36 -0.10 0.08 -0.54 0.00 0.00 175.26 174.35 1ney s VAL 38 N 1.31 3.13 -0.20 3.70 1.01 0.18 -0.89 120.40 128.64 1ney s VAL 38 Ca 0.01 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1ney s VAL 38 Cb -0.16 -2.36 0.04 0.00 0.00 0.00 0.00 36.38 33.90 1ney s VAL 38 CO -0.06 0.48 -0.11 -0.69 0.00 0.00 0.00 175.10 174.72 1ney s VAL 39 N 0.88 1.67 -0.12 2.92 1.01 -0.44 -1.07 120.40 125.25 1ney s VAL 39 Ca -0.03 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 60.84 1ney s VAL 39 Cb -0.15 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 1ney s VAL 39 CO 0.00 0.19 0.24 0.27 0.00 0.00 0.00 175.10 175.80 1ney s ILE 40 N 1.39 5.34 -0.51 2.22 -4.36 -0.45 -0.41 121.20 124.42 1ney s ILE 40 Ca -0.01 0.43 0.03 0.00 -0.26 0.00 0.00 60.65 60.85 1ney s ILE 40 Cb -0.16 -3.54 0.14 0.00 1.25 0.00 0.00 42.46 40.15 1ney s ILE 40 CO -0.08 0.51 0.29 0.00 0.24 0.00 0.00 174.94 175.90 1ney s PRO 42 N -0.17 2.09 0.66 0.00 0.04 -1.23 -2.03 135.00 134.36 1ney s PRO 42 Ca 0.19 -0.03 -0.17 0.00 0.04 0.00 0.00 61.00 61.03 1ney s PRO 42 Cb -0.20 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 1ney s PRO 42 CO -0.04 -1.43 0.88 -2.30 0.04 0.00 0.00 177.00 174.15 1ney n PRO 43 N -3.14 0.64 -0.27 0.56 -0.02 -1.26 -4.43 135.00 127.09 1ney n PRO 43 Ca 0.08 0.27 0.12 0.00 -2.02 0.00 0.00 63.50 61.94 1ney n PRO 43 Cb 0.61 -2.11 0.37 0.00 -0.02 0.00 0.00 33.50 32.35 1ney n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ney h ALA 44 N 0.07 1.82 -0.20 3.55 0.00 -1.96 0.36 119.26 122.91 1ney h ALA 44 Ca -0.48 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.51 1ney h ALA 44 Cb 1.36 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1ney h ALA 44 CO 0.48 -0.06 0.24 1.15 0.00 0.00 0.00 179.25 181.06 1ney h THR 45 N 0.70 0.41 -0.19 0.00 2.02 -2.04 -2.52 112.91 111.29 1ney h THR 45 Ca 0.44 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.62 1ney h THR 45 Cb 0.69 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1ney h THR 45 CO -0.20 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.47 1ney n TYR 46 N -3.71 0.25 0.16 3.16 4.02 0.11 -4.79 117.16 116.37 1ney n TYR 46 Ca 0.02 -0.46 -0.14 0.00 -0.01 0.00 0.00 57.90 57.31 1ney n TYR 46 Cb 0.36 -0.03 -0.08 0.00 -0.02 0.00 0.00 39.34 39.57 1ney n TYR 46 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1ney h LEU 47 N 1.21 -0.32 -0.22 7.72 3.38 -1.36 -1.04 115.31 124.68 1ney h LEU 47 Ca 0.00 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1ney h LEU 47 Cb 0.61 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1ney h LEU 47 CO 0.00 -0.13 0.08 -0.78 0.09 0.00 0.00 178.44 177.70 1ney h ASP 48 N -0.49 0.10 -0.44 -0.43 -0.00 -1.82 -1.38 116.42 111.96 1ney h ASP 48 Ca -0.04 0.02 0.06 0.00 -0.00 0.00 0.00 57.03 57.07 1ney h ASP 48 Cb 0.36 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 39.65 1ney h ASP 48 CO 0.06 0.09 0.16 0.22 -0.00 0.00 0.00 179.24 179.77 1ney h TYR 49 N 0.19 0.28 -0.28 0.28 3.20 -1.88 -0.97 116.97 117.80 1ney h TYR 49 Ca 0.09 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.00 1ney h TYR 49 Cb 0.05 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1ney h TYR 49 CO -0.11 0.10 0.16 0.77 -1.64 0.00 0.00 178.16 177.44 1ney h SER 50 N 0.33 0.26 -0.80 -2.11 0.02 -0.91 -2.10 113.55 108.24 1ney h SER 50 Ca 0.21 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.23 1ney h SER 50 Cb 0.20 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.62 1ney h SER 50 CO -0.21 0.19 0.47 0.58 -1.14 0.00 0.00 176.83 176.72 1ney h VAL 51 N 0.34 0.97 0.00 2.27 2.07 -0.87 -2.28 116.25 118.75 1ney h VAL 51 Ca 0.11 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1ney h VAL 51 Cb -0.00 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1ney h VAL 51 CO -0.05 0.15 -0.20 0.77 0.02 0.00 0.00 177.57 178.26 1ney h SER 52 N 0.83 0.00 1.19 0.57 4.64 -0.58 -2.95 113.55 117.26 1ney h SER 52 Ca 0.36 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.61 1ney h SER 52 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1ney h SER 52 CO -0.20 0.20 -0.84 -0.07 -0.87 0.00 0.00 176.83 175.04 1ney h LEU 53 N 0.00 0.00 -9.66 5.97 3.38 -0.82 -3.47 115.31 110.70 1ney h LEU 53 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1ney h LEU 53 Cb 0.41 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.21 1ney h LEU 53 CO 0.03 0.28 0.85 -0.69 0.09 0.00 0.00 178.44 178.99 1ney s VAL 54 N -3.12 2.58 -0.39 1.22 1.01 -1.06 -4.87 120.40 115.76 1ney s VAL 54 Ca 0.01 0.44 0.10 0.00 0.00 0.00 0.00 61.98 62.53 1ney s VAL 54 Cb 0.08 -3.28 0.32 0.00 0.00 0.00 0.00 36.38 33.50 1ney s VAL 54 CO 0.77 0.05 0.74 0.29 0.00 0.00 0.00 175.10 176.94 1ney n LYS 55 N 3.37 0.92 -3.26 2.72 5.02 -1.26 -5.05 118.16 120.62 1ney n LYS 55 Ca 0.11 -3.14 0.03 0.00 -2.02 0.00 0.00 58.31 53.29 1ney n LYS 55 Cb 0.39 -1.54 -0.02 0.00 -0.02 0.00 0.00 35.03 33.84 1ney n LYS 55 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1ney s LYS 56 N -1.81 0.50 0.50 1.97 2.47 -1.26 -4.80 119.74 117.32 1ney s LYS 56 Ca 0.37 0.99 0.18 0.00 -1.56 0.00 0.00 55.97 55.95 1ney s LYS 56 Cb 0.31 0.56 1.24 0.00 -1.46 0.00 0.00 37.83 38.48 1ney s LYS 56 CO -0.09 -0.46 2.04 -1.35 0.16 0.00 0.00 175.35 175.66 1ney h PRO 57 N 7.97 0.13 0.00 4.03 0.11 -1.99 -1.57 132.00 140.69 1ney h PRO 57 Ca -0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1ney h PRO 57 Cb 1.15 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ney h PRO 57 CO 0.17 0.08 0.00 1.96 -0.21 0.00 0.00 178.00 180.01 1ney h GLN 58 N 0.13 0.00 -5.30 1.05 7.50 -1.90 -3.44 115.11 113.16 1ney h GLN 58 Ca 0.17 0.00 -0.64 0.00 0.50 0.00 0.00 58.65 58.68 1ney h GLN 58 Cb 0.51 0.00 -0.24 0.00 0.05 0.00 0.00 27.48 27.81 1ney h GLN 58 CO -0.02 0.00 -0.71 0.08 -1.50 0.00 0.00 178.83 176.68 1ney s VAL 59 N -3.42 3.55 0.32 -0.54 1.01 -0.59 -0.65 120.40 120.08 1ney s VAL 59 Ca 0.02 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1ney s VAL 59 Cb 0.09 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 1ney s VAL 59 CO 0.36 0.50 0.11 0.42 0.00 0.00 0.00 175.10 176.50 1ney s THR 60 N 0.38 0.68 -0.00 3.92 -4.23 -0.23 -4.81 115.64 111.34 1ney s THR 60 Ca -0.07 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.50 1ney s THR 60 Cb -0.15 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.09 1ney s THR 60 CO 0.04 0.00 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.25 1ney s VAL 61 N -3.46 2.76 0.17 2.29 1.01 -1.26 -1.34 120.40 120.57 1ney s VAL 61 Ca 0.33 -1.00 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1ney s VAL 61 Cb 0.06 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1ney s VAL 61 CO 0.15 0.48 -0.13 -0.83 0.00 0.00 0.00 175.10 174.77 1ney s GLY 62 N -1.03 1.27 0.42 4.51 0.00 0.14 -0.52 107.32 112.11 1ney s GLY 62 Ca 0.13 -1.55 0.01 0.00 0.00 0.00 0.00 44.72 43.30 1ney s GLY 62 CO 0.02 -1.65 0.63 0.00 0.00 0.00 0.00 173.10 172.11 1ney s ALA 63 N -2.93 3.76 -0.60 3.20 0.00 -0.24 -3.56 121.76 121.38 1ney s ALA 63 Ca 0.19 -1.03 0.23 0.00 0.00 0.00 0.00 51.96 51.35 1ney s ALA 63 Cb -0.00 -2.12 0.11 0.00 0.00 0.00 0.00 23.12 21.10 1ney s ALA 63 CO 0.04 -0.27 1.08 1.04 0.00 0.00 0.00 175.76 177.66 1ney n GLN 64 N -1.99 0.30 -3.60 0.00 6.02 -1.26 -0.57 117.38 116.29 1ney n GLN 64 Ca -0.00 0.02 -0.04 0.00 -0.01 0.00 0.00 57.00 56.96 1ney n GLN 64 Cb 0.57 -1.62 -0.02 0.00 1.02 0.00 0.00 30.24 30.19 1ney n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1ney s ASN 65 N -4.04 -0.14 0.23 1.08 2.47 -1.23 -4.48 114.94 108.82 1ney s ASN 65 Ca 0.04 0.02 -0.18 0.00 0.42 0.00 0.00 52.86 53.17 1ney s ASN 65 Cb 0.14 0.14 0.02 0.00 -1.45 0.00 0.00 41.25 40.10 1ney s ASN 65 CO 0.78 -0.22 0.57 0.00 -3.72 0.00 0.00 177.10 174.51 1ney s ALA 66 N -2.23 -0.90 0.81 1.71 0.00 -1.26 -4.68 121.76 115.21 1ney s ALA 66 Ca 0.09 -0.34 -0.09 0.00 0.00 0.00 0.00 51.96 51.61 1ney s ALA 66 Cb -0.01 0.90 0.13 0.00 0.00 0.00 0.00 23.12 24.14 1ney s ALA 66 CO -0.05 -0.87 1.14 -0.47 0.00 0.00 0.00 175.76 175.51 1ney s TYR 67 N -3.91 2.04 -2.14 0.00 5.04 -0.01 -4.93 117.35 113.45 1ney s TYR 67 Ca 0.12 0.21 0.19 0.00 -2.44 0.00 0.00 57.07 55.14 1ney s TYR 67 Cb -0.02 -3.51 0.51 0.00 0.35 0.00 0.00 41.96 39.29 1ney s TYR 67 CO 0.02 -1.99 1.42 1.47 -1.34 0.00 0.00 175.55 175.13 1ney n LEU 68 N -3.24 2.77 -4.26 6.97 -0.00 -1.26 -4.74 117.00 113.23 1ney n LEU 68 Ca 0.13 -1.31 -0.19 0.00 -0.00 0.00 0.00 56.01 54.64 1ney n LEU 68 Cb 0.60 -0.29 -0.11 0.00 -0.00 0.00 0.00 43.42 43.62 1ney n LEU 68 CO 0.47 0.66 -0.46 -0.54 -0.00 0.00 0.00 177.39 177.52 1ney s LYS 69 N -1.41 1.08 0.18 1.47 -0.14 -1.26 -4.88 119.74 114.78 1ney s LYS 69 Ca 0.36 -1.28 0.18 0.00 -1.36 0.00 0.00 55.97 53.87 1ney s LYS 69 Cb 0.19 -0.99 -0.01 0.00 -1.68 0.00 0.00 37.83 35.34 1ney s LYS 69 CO 0.26 0.19 1.10 0.00 -0.76 0.00 0.00 175.35 176.14 1ney h ALA 70 N 3.45 0.65 -2.77 5.17 0.00 -1.96 -3.43 119.26 120.36 1ney h ALA 70 Ca -0.40 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.00 1ney h ALA 70 Cb 1.20 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.97 1ney h ALA 70 CO 0.51 0.52 -0.10 -1.54 0.00 0.00 0.00 179.25 178.65 1ney s SER 71 N -5.87 -0.16 0.00 0.00 1.04 -1.26 -4.75 113.70 102.71 1ney s SER 71 Ca 0.00 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1ney s SER 71 Cb 0.08 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1ney s SER 71 CO 0.78 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1ney n GLY 72 N -0.28 0.77 2.89 7.32 0.00 -1.26 -4.97 105.19 109.67 1ney n GLY 72 Ca -0.11 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.44 1ney n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ney n ALA 73 N -1.00 5.32 -3.20 4.61 0.00 -1.26 -4.72 120.51 120.26 1ney n ALA 73 Ca 0.00 -4.34 -0.24 0.00 0.00 0.00 0.00 53.44 48.86 1ney n ALA 73 Cb 0.00 -2.94 -0.06 0.00 0.00 0.00 0.00 19.45 16.45 1ney n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ney n PHE 74 N 3.75 1.53 -1.61 0.00 3.72 -1.26 -5.10 117.46 118.50 1ney n PHE 74 Ca 0.39 -3.85 -0.53 0.00 -0.05 0.00 0.00 57.45 53.41 1ney n PHE 74 Cb 0.36 -0.44 -0.06 0.00 -0.94 0.00 0.00 39.48 38.40 1ney n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1ney n THR 75 N 0.70 0.05 -0.18 4.37 -1.04 -1.26 -2.04 114.28 114.87 1ney n THR 75 Ca 0.26 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1ney n THR 75 Cb 0.51 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 68.14 1ney n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ney n GLY 76 N 2.77 1.22 3.91 3.41 0.00 -1.26 -5.06 105.19 110.18 1ney n GLY 76 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1ney n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ney s GLU 77 N -0.50 3.07 0.13 1.61 0.41 -0.87 -5.10 118.70 117.45 1ney s GLU 77 Ca 0.00 0.17 0.01 0.00 -0.41 0.00 0.00 54.97 54.74 1ney s GLU 77 Cb 0.00 -2.23 -0.04 0.00 -1.78 0.00 0.00 34.13 30.08 1ney s GLU 77 CO 0.00 -0.66 0.27 -0.80 -0.49 0.00 0.00 175.26 173.58 1ney s ASN 78 N -4.27 6.35 -0.09 -0.19 0.01 -1.26 -4.99 114.94 110.50 1ney s ASN 78 Ca 0.54 0.23 0.04 0.00 -0.71 0.00 0.00 52.86 52.95 1ney s ASN 78 Cb -0.11 -1.94 -0.01 0.00 0.41 0.00 0.00 41.25 39.61 1ney s ASN 78 CO 0.47 0.08 -0.22 -0.55 -1.51 0.00 0.00 177.10 175.37 1ney s SER 79 N -3.00 3.28 0.42 -1.22 0.15 -1.26 -0.83 113.70 111.23 1ney s SER 79 Ca 0.35 -0.49 0.08 0.00 0.70 0.00 0.00 55.95 56.59 1ney s SER 79 Cb -0.12 -1.24 0.88 0.00 -1.71 0.00 0.00 66.02 63.83 1ney s SER 79 CO 0.28 0.19 2.04 -0.37 1.20 0.00 0.00 173.24 176.59 1ney h VAL 80 N 5.40 1.11 -0.59 4.45 -1.51 -1.85 -0.75 116.25 122.51 1ney h VAL 80 Ca -0.25 -0.29 -0.06 0.00 -1.23 0.00 0.00 66.70 64.88 1ney h VAL 80 Cb 1.21 0.69 -0.03 0.00 -2.13 0.00 0.00 31.29 31.04 1ney h VAL 80 CO 0.49 0.12 0.14 0.44 -1.23 0.00 0.00 177.57 177.53 1ney h ASP 81 N 0.44 0.85 -0.11 4.19 3.45 -1.93 -1.16 116.42 122.16 1ney h ASP 81 Ca 0.11 -0.16 -0.20 0.00 0.43 0.00 0.00 57.03 57.21 1ney h ASP 81 Cb 0.03 -0.22 0.01 0.00 -0.56 0.00 0.00 39.33 38.59 1ney h ASP 81 CO -0.02 0.83 -0.72 1.56 -1.57 0.00 0.00 179.24 179.32 1ney h GLN 82 N 0.87 0.67 -0.56 3.56 4.20 -1.66 -0.69 115.11 121.51 1ney h GLN 82 Ca 0.19 -0.58 0.08 0.00 0.06 0.00 0.00 58.65 58.40 1ney h GLN 82 Cb 0.31 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.16 1ney h GLN 82 CO -0.00 1.19 0.21 0.82 -0.67 0.00 0.00 178.83 180.38 1ney h ILE 83 N 0.34 0.81 -0.60 2.54 2.04 -1.13 -2.31 117.51 119.20 1ney h ILE 83 Ca -0.06 -0.14 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 1ney h ILE 83 Cb 1.36 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1ney h ILE 83 CO 0.15 0.07 -0.02 0.50 0.00 0.00 0.00 178.15 178.85 1ney h LYS 84 N 0.40 1.07 -0.92 2.37 3.64 -1.16 -2.38 116.57 119.60 1ney h LYS 84 Ca 0.27 -0.35 0.10 0.00 -1.27 0.00 0.00 60.65 59.40 1ney h LYS 84 Cb 0.30 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 1ney h LYS 84 CO -0.27 1.05 0.59 0.22 -2.27 0.00 0.00 179.45 178.78 1ney h ASP 85 N 0.97 0.84 -0.27 4.20 3.58 -0.62 -1.46 116.42 123.67 1ney h ASP 85 Ca 0.17 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1ney h ASP 85 Cb 0.58 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.48 1ney h ASP 85 CO 0.03 0.48 0.00 1.33 -2.88 0.00 0.00 179.24 178.21 1ney n VAL 86 N -4.54 0.35 -0.09 2.25 0.24 -0.92 -4.94 118.33 110.68 1ney n VAL 86 Ca 0.16 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 1ney n VAL 86 Cb 0.31 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 1ney n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ney n GLY 87 N 1.11 0.70 3.84 7.63 0.00 -0.55 -4.65 105.19 113.27 1ney n GLY 87 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1ney n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ney s ALA 88 N -2.11 2.94 0.00 4.61 0.00 -0.91 -4.77 121.76 121.52 1ney s ALA 88 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1ney s ALA 88 Cb 0.00 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1ney s ALA 88 CO 0.00 -0.65 0.00 1.63 0.00 0.00 0.00 175.76 176.74 1ney n LYS 89 N -2.25 5.25 -4.14 0.00 4.76 0.33 -4.30 118.16 117.81 1ney n LYS 89 Ca 0.07 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.42 1ney n LYS 89 Cb 0.54 -0.53 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 1ney n LYS 89 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1ney s TYR 90 N -1.05 0.76 -0.02 2.13 1.51 -1.20 -1.03 117.35 118.45 1ney s TYR 90 Ca 0.00 -1.11 0.01 0.00 -1.01 0.00 0.00 57.07 54.95 1ney s TYR 90 Cb 0.00 -0.47 0.01 0.00 -0.11 0.00 0.00 41.96 41.39 1ney s TYR 90 CO 0.00 -0.39 -0.02 0.54 -1.11 0.00 0.00 175.55 174.56 1ney s VAL 91 N -3.91 0.27 -0.07 0.71 0.11 -0.17 -1.08 120.40 116.25 1ney s VAL 91 Ca 0.16 -0.06 -0.30 0.00 -2.93 0.00 0.00 61.98 58.85 1ney s VAL 91 Cb 0.07 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.61 1ney s VAL 91 CO -0.04 0.12 1.15 -0.63 -3.33 0.00 0.00 175.10 172.38 1ney s ILE 92 N 0.44 4.39 -0.02 7.04 1.01 0.27 -1.32 121.20 133.02 1ney s ILE 92 Ca -0.04 1.70 0.05 0.00 0.00 0.00 0.00 60.65 62.35 1ney s ILE 92 Cb -0.08 -4.09 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 1ney s ILE 92 CO -0.01 -0.01 -0.16 -0.76 0.00 0.00 0.00 174.94 174.01 1ney s LEU 93 N 2.21 2.01 0.00 2.97 1.43 -0.31 -3.47 118.68 123.52 1ney s LEU 93 Ca 0.54 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1ney s LEU 93 Cb -0.23 -0.82 0.00 0.00 0.03 0.00 0.00 46.19 45.17 1ney s LEU 93 CO 0.20 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.58 1ney n GLY 94 N 2.77 0.52 3.58 -3.19 0.00 -1.26 -1.39 105.19 106.23 1ney n GLY 94 Ca -0.15 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 1ney n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ney n HIS 95 N -2.88 1.01 -0.29 1.61 -0.00 -1.26 -4.46 115.22 108.95 1ney n HIS 95 Ca 0.00 0.62 0.13 0.00 0.46 0.00 0.00 57.72 58.94 1ney n HIS 95 Cb 0.00 -2.21 0.38 0.00 -0.12 0.00 0.00 29.99 28.04 1ney n HIS 95 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1ney h SER 96 N 1.63 0.65 0.23 0.26 0.87 -1.95 0.27 113.55 115.52 1ney h SER 96 Ca -0.42 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.15 1ney h SER 96 Cb 1.35 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 1ney h SER 96 CO 0.58 0.30 -0.20 -0.33 -0.53 0.00 0.00 176.83 176.64 1ney h GLU 97 N 0.67 0.00 0.15 2.24 5.08 -1.98 0.28 114.58 121.03 1ney h GLU 97 Ca 0.49 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.64 1ney h GLU 97 Cb 0.84 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.11 1ney h GLU 97 CO -0.24 0.20 -0.93 0.00 -1.00 0.00 0.00 179.01 177.03 1ney h ARG 98 N 0.00 0.32 -0.67 2.33 2.47 -1.34 -2.97 114.38 114.51 1ney h ARG 98 Ca -0.00 -0.55 -0.04 0.00 -1.26 0.00 0.00 59.98 58.13 1ney h ARG 98 Cb 0.37 0.20 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 1ney h ARG 98 CO 0.03 1.26 0.27 0.00 0.56 0.00 0.00 179.97 182.08 1ney h ARG 99 N -0.31 0.99 0.00 0.04 3.08 -0.94 -1.28 114.38 115.96 1ney h ARG 99 Ca -0.17 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1ney h ARG 99 Cb 1.71 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.59 1ney h ARG 99 CO 0.16 0.81 0.00 0.43 -1.07 0.00 0.00 179.97 180.30 1ney n SER 100 N -4.30 0.00 -0.32 7.04 7.64 0.06 -3.08 113.62 120.67 1ney n SER 100 Ca 0.06 0.04 -0.03 0.00 1.01 0.00 0.00 58.87 59.95 1ney n SER 100 Cb 0.18 -0.07 0.09 0.00 -1.01 0.00 0.00 64.21 63.40 1ney n SER 100 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1ney h TYR 101 N 0.00 1.07 -0.59 1.43 3.20 -1.69 -2.25 116.97 118.14 1ney h TYR 101 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1ney h TYR 101 Cb 0.00 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 37.91 1ney h TYR 101 CO 0.00 0.65 0.00 1.19 -1.64 0.00 0.00 178.16 178.36 1ney n PHE 102 N -4.51 1.12 -4.21 -3.82 3.72 -1.12 -4.96 117.46 103.69 1ney n PHE 102 Ca 0.10 -0.48 -0.34 0.00 -0.05 0.00 0.00 57.45 56.68 1ney n PHE 102 Cb 0.04 -0.14 -0.04 0.00 -0.94 0.00 0.00 39.48 38.40 1ney n PHE 102 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 1ney n HIS 103 N 1.10 -1.61 -2.70 1.38 1.44 -0.85 -4.89 115.22 109.09 1ney n HIS 103 Ca 0.22 0.76 -0.43 0.00 -2.01 0.00 0.00 57.72 56.26 1ney n HIS 103 Cb 0.69 -2.99 -0.03 0.00 0.12 0.00 0.00 29.99 27.78 1ney n HIS 103 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1ney s GLU 104 N -6.93 3.62 0.86 -1.40 2.02 -0.53 -4.98 118.70 111.37 1ney s GLU 104 Ca 0.51 0.35 -0.12 0.00 0.02 0.00 0.00 54.97 55.74 1ney s GLU 104 Cb -0.28 -3.92 0.11 0.00 0.10 0.00 0.00 34.13 30.13 1ney s GLU 104 CO 0.94 -1.33 1.10 0.16 0.02 0.00 0.00 175.26 176.15 1ney s ASP 105 N 2.41 3.87 0.31 -0.19 1.47 -1.26 -4.32 116.67 118.96 1ney s ASP 105 Ca 0.43 1.29 0.01 0.00 1.18 0.00 0.00 52.55 55.46 1ney s ASP 105 Cb -0.08 -1.98 0.52 0.00 -0.34 0.00 0.00 42.92 41.04 1ney s ASP 105 CO 0.29 -2.36 1.88 0.44 0.68 0.00 0.00 175.17 176.09 1ney h ASP 106 N -1.36 0.66 -0.36 2.11 3.45 -1.97 -2.01 116.42 116.95 1ney h ASP 106 Ca -0.49 -0.10 -0.09 0.00 0.43 0.00 0.00 57.03 56.78 1ney h ASP 106 Cb 1.29 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.88 1ney h ASP 106 CO 0.58 0.64 -0.11 0.50 -1.57 0.00 0.00 179.24 179.28 1ney h LYS 107 N 0.70 0.70 -0.53 3.56 1.63 -1.93 -1.51 116.57 119.19 1ney h LYS 107 Ca 0.16 -0.28 0.07 0.00 -0.85 0.00 0.00 60.65 59.74 1ney h LYS 107 Cb 0.24 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.78 1ney h LYS 107 CO -0.01 0.88 0.23 0.35 -3.45 0.00 0.00 179.45 177.44 1ney h PHE 108 N 0.49 0.40 -0.47 1.91 3.57 -1.80 -0.32 116.94 120.73 1ney h PHE 108 Ca 0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1ney h PHE 108 Cb 0.63 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1ney h PHE 108 CO 0.05 0.15 0.25 0.82 -2.23 0.00 0.00 178.31 177.35 1ney h ILE 109 N 0.43 1.17 -0.47 1.41 1.08 -1.29 -1.10 117.51 118.74 1ney h ILE 109 Ca 0.25 -0.46 0.03 0.00 -0.39 0.00 0.00 64.86 64.30 1ney h ILE 109 Cb 0.24 0.62 -0.04 0.00 -3.07 0.00 0.00 36.82 34.58 1ney h ILE 109 CO -0.23 0.18 0.25 0.00 -0.69 0.00 0.00 178.15 177.67 1ney h ALA 110 N 1.09 0.59 -0.50 1.87 0.00 -0.81 -0.53 119.26 120.97 1ney h ALA 110 Ca 0.16 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1ney h ALA 110 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ney h ALA 110 CO -0.02 -0.08 -0.01 -0.44 0.00 0.00 0.00 179.25 178.69 1ney h ASP 111 N 0.50 0.88 -0.82 0.00 3.45 -0.93 -1.56 116.42 117.93 1ney h ASP 111 Ca 0.20 -0.31 -0.03 0.00 0.43 0.00 0.00 57.03 57.31 1ney h ASP 111 Cb 0.07 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 38.57 1ney h ASP 111 CO -0.12 0.98 0.39 0.11 -1.57 0.00 0.00 179.24 179.02 1ney h LYS 112 N 0.76 1.20 -0.12 3.56 1.57 -0.95 -1.76 116.57 120.83 1ney h LYS 112 Ca 0.14 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1ney h LYS 112 Cb 0.53 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1ney h LYS 112 CO 0.03 0.93 -0.05 1.15 -0.57 0.00 0.00 179.45 180.93 1ney h THR 113 N 1.18 1.32 -0.42 -0.16 2.02 -0.73 -0.29 112.91 115.84 1ney h THR 113 Ca 0.28 -1.07 0.06 0.00 0.77 0.00 0.00 66.41 66.45 1ney h THR 113 Cb 0.13 1.79 -0.05 0.00 -1.74 0.00 0.00 68.15 68.28 1ney h THR 113 CO -0.03 0.31 0.10 0.50 0.37 0.00 0.00 175.52 176.77 1ney h LYS 114 N -0.11 0.24 -0.15 6.66 3.64 -1.26 -1.95 116.57 123.64 1ney h LYS 114 Ca 0.03 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1ney h LYS 114 Cb 0.51 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1ney h LYS 114 CO 0.02 0.16 0.09 0.35 -2.27 0.00 0.00 179.45 177.79 1ney h PHE 115 N 0.24 0.20 -0.17 1.91 3.57 -1.15 -1.73 116.94 119.81 1ney h PHE 115 Ca 0.20 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.72 1ney h PHE 115 Cb 0.23 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1ney h PHE 115 CO -0.19 0.18 0.03 0.00 -2.23 0.00 0.00 178.31 176.10 1ney h ALA 116 N 1.00 0.17 -0.89 2.41 0.00 -0.83 -2.01 119.26 119.11 1ney h ALA 116 Ca 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ney h ALA 116 Cb 0.04 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1ney h ALA 116 CO -0.01 -0.41 0.53 -0.07 0.00 0.00 0.00 179.25 179.29 1ney h LEU 117 N 0.10 1.07 -1.51 0.00 3.38 -1.28 -1.70 115.31 115.37 1ney h LEU 117 Ca 0.08 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ney h LEU 117 Cb 0.07 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1ney h LEU 117 CO -0.11 0.83 0.00 1.23 0.09 0.00 0.00 178.44 180.48 1ney h GLY 118 N 1.24 0.00 -1.25 0.83 0.00 -0.87 -1.76 103.07 101.24 1ney h GLY 118 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1ney h GLY 118 CO -0.06 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.42 1ney n GLN 119 N -3.00 1.90 -1.64 4.80 1.13 -0.70 -4.95 117.38 114.93 1ney n GLN 119 Ca 0.00 -1.37 -0.01 0.00 -1.94 0.00 0.00 57.00 53.69 1ney n GLN 119 Cb 0.28 -1.37 -0.00 0.00 0.11 0.00 0.00 30.24 29.25 1ney n GLN 119 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ney n GLY 120 N 1.18 0.38 3.42 1.08 0.00 -0.66 -4.96 105.19 105.62 1ney n GLY 120 Ca 0.15 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1ney n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ney s VAL 121 N -2.03 3.45 0.81 1.61 1.01 -0.85 -5.02 120.40 119.38 1ney s VAL 121 Ca 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 1ney s VAL 121 Cb 0.00 -2.49 0.08 0.00 0.00 0.00 0.00 36.38 33.97 1ney s VAL 121 CO 0.00 0.50 1.11 -0.83 0.00 0.00 0.00 175.10 175.88 1ney s GLY 122 N 0.49 1.70 -0.08 4.51 0.00 -0.19 -3.43 107.32 110.32 1ney s GLY 122 Ca -0.06 0.38 0.02 0.00 0.00 0.00 0.00 44.72 45.06 1ney s GLY 122 CO 0.03 0.75 -0.15 0.14 0.00 0.00 0.00 173.10 173.88 1ney s VAL 123 N -2.80 1.34 -0.58 1.40 1.01 -0.69 -1.00 120.40 119.08 1ney s VAL 123 Ca 0.63 -0.59 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 1ney s VAL 123 Cb -0.19 -1.21 0.11 0.00 0.00 0.00 0.00 36.38 35.09 1ney s VAL 123 CO 0.56 0.40 0.63 -0.63 0.00 0.00 0.00 175.10 176.06 1ney s ILE 124 N 0.66 4.97 -0.35 2.22 1.01 -0.43 -1.04 121.20 128.24 1ney s ILE 124 Ca -0.14 -1.20 -0.18 0.00 0.00 0.00 0.00 60.65 59.12 1ney s ILE 124 Cb -0.16 -4.44 -0.00 0.00 0.01 0.00 0.00 42.46 37.87 1ney s ILE 124 CO 0.04 -1.03 0.53 -0.22 0.00 0.00 0.00 174.94 174.26 1ney s LEU 125 N 2.25 4.34 -0.08 2.97 2.96 0.23 -1.16 118.68 130.20 1ney s LEU 125 Ca 0.08 -0.01 -0.12 0.00 -0.22 0.00 0.00 54.13 53.87 1ney s LEU 125 Cb -0.26 -2.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.76 1ney s LEU 125 CO 0.05 -0.50 0.29 0.00 -1.32 0.00 0.00 176.35 174.87 1ney s ILE 127 N -0.74 0.26 0.00 0.00 -4.36 -0.54 -4.60 121.20 111.22 1ney s ILE 127 Ca 0.19 -1.71 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 1ney s ILE 127 Cb -0.14 -1.38 0.00 0.00 1.25 0.00 0.00 42.46 42.19 1ney s ILE 127 CO 0.08 -0.92 0.00 0.61 0.24 0.00 0.00 174.94 174.95 1ney n GLY 128 N 0.29 3.02 3.88 6.27 0.00 -1.26 -1.22 105.19 116.16 1ney n GLY 128 Ca -0.15 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 1ney n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ney s GLU 129 N -2.00 3.20 0.75 1.61 1.03 -1.26 -4.73 118.70 117.30 1ney s GLU 129 Ca 0.00 -0.69 -0.10 0.00 0.03 0.00 0.00 54.97 54.20 1ney s GLU 129 Cb 0.00 -2.83 0.06 0.00 -0.80 0.00 0.00 34.13 30.55 1ney s GLU 129 CO 0.00 0.52 1.11 0.95 -1.33 0.00 0.00 175.26 176.50 1ney s THR 130 N -1.70 2.46 0.17 1.83 -4.23 -1.26 -0.69 115.64 112.22 1ney s THR 130 Ca 0.33 0.03 -0.14 0.00 -1.18 0.00 0.00 61.69 60.73 1ney s THR 130 Cb -0.11 -3.12 0.07 0.00 1.34 0.00 0.00 72.50 70.67 1ney s THR 130 CO 0.26 -0.15 1.75 0.25 -0.54 0.00 0.00 174.62 176.18 1ney h LEU 131 N -0.81 0.14 -0.61 4.79 5.85 -1.98 -0.20 115.31 122.48 1ney h LEU 131 Ca -0.45 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1ney h LEU 131 Cb 1.31 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.35 1ney h LEU 131 CO 0.64 0.11 0.35 -0.33 -0.34 0.00 0.00 178.44 178.87 1ney h GLU 132 N 0.31 0.84 -0.46 1.25 4.39 -1.99 -0.72 114.58 118.19 1ney h GLU 132 Ca 0.21 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1ney h GLU 132 Cb 0.21 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1ney h GLU 132 CO -0.22 0.62 0.27 0.93 -1.16 0.00 0.00 179.01 179.44 1ney h GLU 133 N 0.82 0.64 -0.16 2.33 5.08 -1.87 -1.20 114.58 120.23 1ney h GLU 133 Ca 0.22 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1ney h GLU 133 Cb 0.01 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1ney h GLU 133 CO -0.04 0.49 0.08 -0.22 -1.00 0.00 0.00 179.01 178.32 1ney h LYS 134 N 0.61 0.22 0.00 2.33 3.64 -0.65 -0.51 116.57 122.22 1ney h LYS 134 Ca 0.16 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1ney h LYS 134 Cb 0.02 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1ney h LYS 134 CO -0.03 0.24 -0.07 0.87 -2.27 0.00 0.00 179.45 178.18 1ney h LYS 135 N 0.14 0.00 -0.00 1.90 1.57 -0.98 -1.71 116.57 117.50 1ney h LYS 135 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1ney h LYS 135 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1ney h LYS 135 CO -0.01 0.07 -0.03 0.00 -0.57 0.00 0.00 179.45 178.91 1ney n ALA 136 N -2.52 2.62 -0.86 3.86 0.00 -0.47 -4.92 120.51 118.22 1ney n ALA 136 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1ney n ALA 136 Cb 0.15 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1ney n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ney n GLY 137 N 1.22 0.47 0.93 0.00 0.00 -0.64 -4.98 105.19 102.18 1ney n GLY 137 Ca 0.17 -0.94 0.08 0.00 0.00 0.00 0.00 46.02 45.33 1ney n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ney n LYS 138 N -2.86 2.90 0.04 1.61 4.76 -0.24 -4.72 118.16 119.65 1ney n LYS 138 Ca 0.00 -2.33 -0.11 0.00 -2.87 0.00 0.00 58.31 53.00 1ney n LYS 138 Cb 0.00 -1.43 -0.04 0.00 -1.84 0.00 0.00 35.03 31.72 1ney n LYS 138 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1ney h THR 139 N 2.81 0.47 -0.30 -0.18 2.02 -1.85 -0.48 112.91 115.41 1ney h THR 139 Ca 0.00 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 1ney h THR 139 Cb 0.89 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1ney h THR 139 CO 0.03 0.00 -0.35 -0.07 0.37 0.00 0.00 175.52 175.49 1ney h LEU 140 N -0.32 0.71 -0.57 2.58 3.38 -1.96 -2.05 115.31 117.07 1ney h LEU 140 Ca 0.07 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.79 1ney h LEU 140 Cb 0.43 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1ney h LEU 140 CO -0.23 1.00 0.30 0.44 0.09 0.00 0.00 178.44 180.03 1ney h ASP 141 N 0.57 0.43 -0.01 -0.43 3.32 -1.80 -0.78 116.42 117.71 1ney h ASP 141 Ca 0.06 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1ney h ASP 141 Cb 0.87 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 1ney h ASP 141 CO 0.08 0.29 0.00 0.58 -1.72 0.00 0.00 179.24 178.47 1ney h VAL 142 N 0.57 1.20 -0.09 -1.35 2.07 -0.89 -1.25 116.25 116.50 1ney h VAL 142 Ca 0.25 -0.60 -0.12 0.00 0.82 0.00 0.00 66.70 67.06 1ney h VAL 142 Cb 0.16 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1ney h VAL 142 CO -0.17 0.16 -0.47 -0.37 0.02 0.00 0.00 177.57 176.74 1ney h VAL 143 N -0.22 1.33 -0.46 2.57 -1.51 -1.27 -1.25 116.25 115.45 1ney h VAL 143 Ca 0.00 -1.65 -0.12 0.00 -1.23 0.00 0.00 66.70 63.71 1ney h VAL 143 Cb 0.25 1.78 -0.02 0.00 -2.13 0.00 0.00 31.29 31.18 1ney h VAL 143 CO 0.00 0.49 -0.18 -0.33 -1.23 0.00 0.00 177.57 176.32 1ney h GLU 144 N 0.19 0.89 -0.35 5.19 5.08 -1.14 -0.96 114.58 123.48 1ney h GLU 144 Ca 0.01 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1ney h GLU 144 Cb 0.90 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1ney h GLU 144 CO 0.07 1.00 0.22 -0.09 -1.00 0.00 0.00 179.01 179.21 1ney h ARG 145 N 0.78 0.48 -0.56 2.33 2.43 -0.78 0.19 114.38 119.25 1ney h ARG 145 Ca 0.11 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1ney h ARG 145 Cb 0.72 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1ney h ARG 145 CO 0.06 0.35 0.18 1.96 -1.51 0.00 0.00 179.97 181.01 1ney h GLN 146 N 0.47 0.86 -0.28 0.20 4.20 -1.08 -2.10 115.11 117.37 1ney h GLN 146 Ca 0.13 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 1ney h GLN 146 Cb -0.01 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1ney h GLN 146 CO -0.03 0.77 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.74 1ney h LEU 147 N 0.77 0.56 -1.12 1.46 3.38 -1.07 -3.14 115.31 116.16 1ney h LEU 147 Ca 0.18 -0.39 0.09 0.00 0.09 0.00 0.00 57.88 57.85 1ney h LEU 147 Cb 0.27 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 1ney h LEU 147 CO -0.01 0.82 0.60 0.78 0.09 0.00 0.00 178.44 180.73 1ney h ASN 148 N 0.30 0.89 -0.61 -0.43 -0.26 -0.39 0.53 115.58 115.62 1ney h ASN 148 Ca 0.07 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 1ney h ASN 148 Cb 0.59 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.65 1ney h ASN 148 CO 0.03 0.54 0.39 0.00 -1.06 0.00 0.00 177.43 177.34 1ney h ALA 149 N 1.52 0.77 -0.46 -0.83 0.00 -1.35 -1.79 119.26 117.13 1ney h ALA 149 Ca 0.43 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1ney h ALA 149 Cb 0.33 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1ney h ALA 149 CO -0.18 0.22 0.17 0.28 0.00 0.00 0.00 179.25 179.73 1ney h VAL 150 N 0.82 1.21 0.00 0.00 2.07 -1.22 -2.99 116.25 116.14 1ney h VAL 150 Ca 0.22 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1ney h VAL 150 Cb -0.08 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1ney h VAL 150 CO -0.05 0.25 -0.06 -0.07 0.02 0.00 0.00 177.57 177.66 1ney h LEU 151 N 0.60 0.00 -1.67 2.57 3.38 -0.58 0.65 115.31 120.25 1ney h LEU 151 Ca 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1ney h LEU 151 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1ney h LEU 151 CO -0.01 0.06 0.00 -0.08 0.09 0.00 0.00 178.44 178.50 1ney h GLU 152 N 0.00 0.20 0.00 1.13 4.81 -1.18 -3.26 114.58 116.28 1ney h GLU 152 Ca -0.00 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.02 1ney h GLU 152 Cb 0.27 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1ney h GLU 152 CO 0.01 0.23 -1.98 0.39 -0.73 0.00 0.00 179.01 176.93 1ney n GLU 153 N -4.41 1.07 -4.09 1.92 -0.58 -0.31 -4.97 120.64 109.27 1ney n GLU 153 Ca -0.01 -0.06 -0.33 0.00 -0.42 0.00 0.00 57.16 56.34 1ney n GLU 153 Cb 0.16 -1.41 -0.16 0.00 -0.57 0.00 0.00 31.44 29.46 1ney n GLU 153 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1ney s VAL 154 N -2.68 2.16 -1.01 2.62 1.01 0.07 -4.88 120.40 117.68 1ney s VAL 154 Ca -0.07 -1.19 0.14 0.00 0.00 0.00 0.00 61.98 60.86 1ney s VAL 154 Cb 0.07 -2.05 -0.07 0.00 0.00 0.00 0.00 36.38 34.34 1ney s VAL 154 CO 0.67 0.32 0.69 0.29 0.00 0.00 0.00 175.10 177.07 1ney n LYS 155 N 4.56 2.14 -3.69 2.72 4.76 -1.26 -4.32 118.16 123.06 1ney n LYS 155 Ca -0.18 -0.42 -0.22 0.00 -2.87 0.00 0.00 58.31 54.61 1ney n LYS 155 Cb 0.47 -1.18 -0.18 0.00 -1.84 0.00 0.00 35.03 32.31 1ney n LYS 155 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1ney s ASP 156 N -1.96 1.59 -0.23 4.39 3.68 -1.26 -4.95 116.67 117.93 1ney s ASP 156 Ca 0.09 -0.15 0.15 0.00 2.13 0.00 0.00 52.55 54.77 1ney s ASP 156 Cb 0.11 -0.26 0.75 0.00 -1.45 0.00 0.00 42.92 42.07 1ney s ASP 156 CO 0.44 -0.26 1.68 0.49 0.13 0.00 0.00 175.17 177.65 1ney n PHE 157 N 5.24 1.83 -0.34 -5.34 3.01 -1.26 -4.67 117.46 115.93 1ney n PHE 157 Ca -0.05 -0.78 0.10 0.00 1.01 0.00 0.00 57.45 57.73 1ney n PHE 157 Cb 0.50 -0.47 0.27 0.00 -0.01 0.00 0.00 39.48 39.77 1ney n PHE 157 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1ney h THR 158 N 3.44 0.78 -0.59 4.37 2.02 -1.96 -1.84 112.91 119.12 1ney h THR 158 Ca 0.01 -0.28 -0.30 0.00 0.77 0.00 0.00 66.41 66.60 1ney h THR 158 Cb 1.87 -0.10 -0.18 0.00 -1.74 0.00 0.00 68.15 68.00 1ney h THR 158 CO 0.44 0.15 0.19 0.59 0.37 0.00 0.00 175.52 177.26 1ney n ASN 159 N -4.74 2.98 -4.54 4.18 3.02 -1.26 -4.95 115.26 109.94 1ney n ASN 159 Ca 0.21 -3.71 -0.32 0.00 -0.03 0.00 0.00 54.58 50.73 1ney n ASN 159 Cb 0.47 -0.71 -0.11 0.00 -0.61 0.00 0.00 39.78 38.81 1ney n ASN 159 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ney s VAL 160 N -3.26 3.34 -0.08 2.41 1.01 -0.69 -1.71 120.40 121.42 1ney s VAL 160 Ca 0.49 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1ney s VAL 160 Cb 0.43 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 34.39 1ney s VAL 160 CO 0.04 0.38 -0.19 -0.69 0.00 0.00 0.00 175.10 174.65 1ney s VAL 161 N -0.96 1.63 -0.14 2.92 1.01 -0.20 -4.60 120.40 120.05 1ney s VAL 161 Ca 0.16 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 1ney s VAL 161 Cb -0.11 -1.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 1ney s VAL 161 CO 0.06 0.46 0.27 -0.69 0.00 0.00 0.00 175.10 175.21 1ney s VAL 162 N 0.42 5.31 -0.28 2.92 1.01 -0.57 -0.60 120.40 128.61 1ney s VAL 162 Ca -0.15 0.51 -0.04 0.00 0.00 0.00 0.00 61.98 62.30 1ney s VAL 162 Cb -0.16 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.64 1ney s VAL 162 CO 0.06 0.44 0.02 0.00 0.00 0.00 0.00 175.10 175.61 1ney s ALA 163 N 0.16 2.88 -0.40 5.51 0.00 0.24 -0.10 121.76 130.04 1ney s ALA 163 Ca 0.16 -1.55 -0.23 0.00 0.00 0.00 0.00 51.96 50.34 1ney s ALA 163 Cb -0.13 -1.95 0.02 0.00 0.00 0.00 0.00 23.12 21.05 1ney s ALA 163 CO 0.04 -1.00 0.78 -0.47 0.00 0.00 0.00 175.76 175.11 1ney s TYR 164 N 1.38 3.06 -0.30 0.00 5.04 0.28 -1.46 117.35 125.35 1ney s TYR 164 Ca -0.00 0.38 0.00 0.00 -2.44 0.00 0.00 57.07 55.02 1ney s TYR 164 Cb -0.18 -3.50 0.09 0.00 0.35 0.00 0.00 41.96 38.72 1ney s TYR 164 CO -0.01 -0.83 0.06 -1.21 -1.34 0.00 0.00 175.55 172.22 1ney s GLU 165 N 3.17 1.00 0.22 4.97 2.02 -0.36 -1.37 118.70 128.35 1ney s GLU 165 Ca 0.30 -1.20 -0.32 0.00 0.02 0.00 0.00 54.97 53.77 1ney s GLU 165 Cb -0.13 -2.35 -0.13 0.00 0.10 0.00 0.00 34.13 31.63 1ney s GLU 165 CO 0.19 -0.90 1.61 -2.30 0.02 0.00 0.00 175.26 173.88 1ney n PRO 166 N 4.70 2.48 -0.05 0.39 -0.02 -1.25 -4.23 135.00 137.03 1ney n PRO 166 Ca -0.02 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1ney n PRO 166 Cb 0.43 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 1ney n PRO 166 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ney n VAL 167 N 3.13 0.21 0.00 -1.45 0.31 0.13 -3.32 118.33 117.34 1ney n VAL 167 Ca 0.14 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1ney n VAL 167 Cb 0.33 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 1ney n VAL 167 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ney n ALA 169 N 1.68 0.00 -2.62 3.52 0.00 -1.26 -4.86 120.51 116.97 1ney n ALA 169 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1ney n ALA 169 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.49 1ney n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ney s ILE 170 N 0.00 4.38 0.00 0.00 1.01 -1.21 -2.02 121.20 123.36 1ney s ILE 170 Ca 0.00 1.53 0.00 0.00 0.00 0.00 0.00 60.65 62.18 1ney s ILE 170 Cb 0.00 -4.48 0.00 0.00 0.01 0.00 0.00 42.46 37.99 1ney s ILE 170 CO 0.00 -0.69 0.00 0.61 0.00 0.00 0.00 174.94 174.86 1ney n GLY 171 N 4.26 0.97 0.07 6.18 0.00 -1.26 -4.87 105.19 110.54 1ney n GLY 171 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1ney n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ney n THR 172 N -2.00 0.37 -0.35 2.61 -2.24 -1.25 -4.98 114.28 106.44 1ney n THR 172 Ca 0.00 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1ney n THR 172 Cb 0.00 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1ney n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ney n GLY 173 N 1.23 1.31 3.26 3.38 0.00 -1.26 -5.00 105.19 108.11 1ney n GLY 173 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1ney n GLY 173 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ney n LEU 174 N 0.00 5.27 -4.85 0.99 4.77 -1.26 -5.02 117.00 116.89 1ney n LEU 174 Ca 0.00 -5.08 -0.32 0.00 -0.03 0.00 0.00 56.01 50.59 1ney n LEU 174 Cb 0.00 -1.37 -0.03 0.00 -2.33 0.00 0.00 43.42 39.68 1ney n LEU 174 CO 0.00 1.43 0.60 0.00 -1.33 0.00 0.00 177.39 178.09 1ney s ALA 175 N -1.42 3.16 0.71 -1.18 0.00 -1.26 -4.00 121.76 117.76 1ney s ALA 175 Ca 0.30 0.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.16 1ney s ALA 175 Cb -0.08 -2.99 0.02 0.00 0.00 0.00 0.00 23.12 20.08 1ney s ALA 175 CO -0.08 -0.16 1.25 0.00 0.00 0.00 0.00 175.76 176.77 1ney s ALA 176 N -2.55 2.17 0.52 0.00 0.00 -1.26 -5.01 121.76 115.64 1ney s ALA 176 Ca 0.56 1.05 -0.18 0.00 0.00 0.00 0.00 51.96 53.40 1ney s ALA 176 Cb -0.10 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.43 1ney s ALA 176 CO 0.31 -1.85 1.02 0.95 0.00 0.00 0.00 175.76 176.19 1ney s THR 177 N -1.71 4.09 0.27 0.00 -4.23 -1.26 -4.87 115.64 107.93 1ney s THR 177 Ca 0.79 1.10 0.00 0.00 -1.18 0.00 0.00 61.69 62.40 1ney s THR 177 Cb -0.34 -3.52 0.26 0.00 1.34 0.00 0.00 72.50 70.24 1ney s THR 177 CO 0.44 -0.47 1.78 -0.65 -0.54 0.00 0.00 174.62 175.18 1ney h PRO 178 N 1.04 0.70 -0.47 3.99 0.11 -1.95 -0.11 132.00 135.31 1ney h PRO 178 Ca -0.48 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.60 1ney h PRO 178 Cb 1.20 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1ney h PRO 178 CO 0.59 0.46 0.29 1.49 -0.21 0.00 0.00 178.00 180.63 1ney h GLU 179 N 0.72 0.57 -0.13 1.05 4.81 -1.94 -0.30 114.58 119.36 1ney h GLU 179 Ca 0.48 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.59 1ney h GLU 179 Cb 0.64 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1ney h GLU 179 CO -0.34 0.38 -0.25 -0.44 -0.73 0.00 0.00 179.01 177.63 1ney h ASP 180 N 0.59 0.45 -0.32 1.04 3.45 -1.84 -2.03 116.42 117.76 1ney h ASP 180 Ca 0.18 -0.55 0.01 0.00 0.43 0.00 0.00 57.03 57.10 1ney h ASP 180 Cb -0.02 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.60 1ney h ASP 180 CO -0.07 0.92 0.21 0.00 -1.57 0.00 0.00 179.24 178.73 1ney h ALA 181 N 0.55 0.41 -0.43 3.45 0.00 -0.93 -2.20 119.26 120.10 1ney h ALA 181 Ca 0.01 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1ney h ALA 181 Cb 0.84 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1ney h ALA 181 CO 0.06 -0.14 0.05 0.37 0.00 0.00 0.00 179.25 179.59 1ney h GLN 182 N 0.42 0.16 -0.73 0.00 5.75 -0.94 0.79 115.11 120.57 1ney h GLN 182 Ca 0.12 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.55 1ney h GLN 182 Cb -0.04 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 1ney h GLN 182 CO -0.03 0.11 0.22 -0.44 -2.65 0.00 0.00 178.83 176.03 1ney h ASP 183 N 0.17 1.06 -0.20 -0.69 3.32 -1.21 -0.64 116.42 118.23 1ney h ASP 183 Ca 0.21 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1ney h ASP 183 Cb 0.29 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1ney h ASP 183 CO -0.31 0.99 -0.02 0.40 -1.72 0.00 0.00 179.24 178.58 1ney h ILE 184 N 1.09 1.27 -0.74 0.35 2.04 -0.91 -2.11 117.51 118.50 1ney h ILE 184 Ca 0.23 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.20 1ney h ILE 184 Cb 0.31 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 1ney h ILE 184 CO -0.01 0.28 0.47 0.45 0.00 0.00 0.00 178.15 179.34 1ney h HIS 185 N 0.10 0.88 -0.90 1.37 3.86 -0.66 -0.06 115.15 119.75 1ney h HIS 185 Ca 0.05 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1ney h HIS 185 Cb 0.43 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.56 1ney h HIS 185 CO 0.04 0.51 0.50 0.00 0.86 0.00 0.00 177.93 179.84 1ney h ALA 186 N 1.30 1.15 -0.57 2.45 0.00 -1.01 -0.14 119.26 122.44 1ney h ALA 186 Ca 0.29 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1ney h ALA 186 Cb -0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1ney h ALA 186 CO -0.10 0.65 0.11 0.66 0.00 0.00 0.00 179.25 180.57 1ney h SER 187 N 1.25 0.89 -0.43 0.00 4.64 -0.77 -1.39 113.55 117.75 1ney h SER 187 Ca 0.32 -0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1ney h SER 187 Cb 0.01 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.85 1ney h SER 187 CO -0.05 0.91 0.18 0.40 -0.87 0.00 0.00 176.83 177.40 1ney h ILE 188 N 0.83 1.20 -0.61 0.95 2.04 -0.72 -1.47 117.51 119.73 1ney h ILE 188 Ca 0.18 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1ney h ILE 188 Cb 0.39 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1ney h ILE 188 CO 0.01 0.22 0.30 -0.09 0.00 0.00 0.00 178.15 178.59 1ney h ARG 189 N 0.55 0.88 -0.30 2.37 2.43 -0.83 -0.08 114.38 119.40 1ney h ARG 189 Ca 0.14 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1ney h ARG 189 Cb 0.18 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1ney h ARG 189 CO -0.01 0.70 0.19 -0.22 -1.51 0.00 0.00 179.97 179.12 1ney h LYS 190 N 0.84 0.40 -0.17 0.20 3.64 -1.15 0.66 116.57 120.99 1ney h LYS 190 Ca 0.21 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1ney h LYS 190 Cb 0.10 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1ney h LYS 190 CO -0.03 0.30 -0.04 0.35 -2.27 0.00 0.00 179.45 177.76 1ney h PHE 191 N 0.39 -0.09 -0.13 1.91 3.57 -1.03 -2.78 116.94 118.79 1ney h PHE 191 Ca 0.11 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 1ney h PHE 191 Cb -0.01 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1ney h PHE 191 CO -0.05 -0.07 -0.27 -0.07 -2.23 0.00 0.00 178.31 175.62 1ney h LEU 192 N -0.00 0.23 -1.34 0.59 3.38 -0.73 -2.13 115.31 115.31 1ney h LEU 192 Ca 0.08 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1ney h LEU 192 Cb 0.12 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1ney h LEU 192 CO -0.17 0.51 0.50 0.00 0.09 0.00 0.00 178.44 179.36 1ney h ALA 193 N 1.51 1.68 0.00 1.53 0.00 -0.60 0.68 119.26 124.05 1ney h ALA 193 Ca 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ney h ALA 193 Cb 0.60 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ney h ALA 193 CO 0.04 0.20 -0.02 0.66 0.00 0.00 0.00 179.25 180.14 1ney h SER 194 N 0.80 0.00 0.00 0.00 4.64 -1.19 -1.29 113.55 116.51 1ney h SER 194 Ca 0.33 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.32 1ney h SER 194 Cb 0.26 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.29 1ney h SER 194 CO -0.11 0.02 -2.25 0.29 -0.87 0.00 0.00 176.83 173.91 1ney n LYS 195 N -3.12 0.61 -0.00 4.77 4.76 -0.66 -4.73 118.16 119.79 1ney n LYS 195 Ca -0.00 0.11 0.03 0.00 -2.87 0.00 0.00 58.31 55.59 1ney n LYS 195 Cb 0.28 -1.44 -0.04 0.00 -1.84 0.00 0.00 35.03 31.98 1ney n LYS 195 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ney n LEU 196 N -3.10 0.30 0.00 -0.35 4.77 0.14 -5.11 117.00 113.66 1ney n LEU 196 Ca -0.38 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1ney n LEU 196 Cb 0.93 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 1ney n LEU 196 CO 0.23 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1ney n GLY 197 N 1.27 0.66 0.34 -0.72 0.00 -0.49 -4.46 105.19 101.81 1ney n GLY 197 Ca 0.01 -1.77 -0.05 0.00 0.00 0.00 0.00 46.02 44.21 1ney n GLY 197 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ney h ASP 198 N 0.00 1.10 0.20 1.61 3.32 -1.92 -2.02 116.42 118.71 1ney h ASP 198 Ca 0.00 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 1ney h ASP 198 Cb 0.00 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.27 1ney h ASP 198 CO 0.00 0.95 -0.10 0.50 -1.72 0.00 0.00 179.24 178.88 1ney h LYS 199 N 1.17 -0.26 -0.49 3.56 3.64 -1.95 -1.47 116.57 120.76 1ney h LYS 199 Ca 0.27 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.68 1ney h LYS 199 Cb 0.19 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1ney h LYS 199 CO -0.03 -0.13 0.32 0.00 -2.27 0.00 0.00 179.45 177.34 1ney h ALA 200 N 0.46 0.63 -0.63 5.00 0.00 -1.76 -1.98 119.26 120.97 1ney h ALA 200 Ca -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ney h ALA 200 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1ney h ALA 200 CO 0.05 0.05 0.26 0.00 0.00 0.00 0.00 179.25 179.60 1ney h ALA 201 N 1.19 1.27 0.00 0.00 0.00 -1.25 -1.49 119.26 118.98 1ney h ALA 201 Ca 0.19 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ney h ALA 201 Cb -0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1ney h ALA 201 CO -0.06 0.54 -0.14 0.66 0.00 0.00 0.00 179.25 180.25 1ney h SER 202 N 0.91 0.00 0.07 0.00 4.64 -0.67 -3.15 113.55 115.35 1ney h SER 202 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1ney h SER 202 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1ney h SER 202 CO -0.02 0.14 -1.49 -0.62 -0.87 0.00 0.00 176.83 173.98 1ney n GLU 203 N -3.35 0.37 -2.36 4.77 1.02 -0.80 -4.77 120.64 115.52 1ney n GLU 203 Ca -0.00 -0.10 -0.42 0.00 -0.02 0.00 0.00 57.16 56.62 1ney n GLU 203 Cb 0.36 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 30.22 1ney n GLU 203 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ney s LEU 204 N -3.89 4.28 -0.02 -4.62 2.96 -0.62 -4.88 118.68 111.89 1ney s LEU 204 Ca -0.00 1.92 -0.30 0.00 -0.22 0.00 0.00 54.13 55.52 1ney s LEU 204 Cb 0.15 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.25 1ney s LEU 204 CO 0.88 -0.66 1.12 -0.13 -1.32 0.00 0.00 176.35 176.23 1ney s ARG 205 N 2.48 4.43 -0.29 1.98 3.00 -1.26 -5.00 118.95 124.29 1ney s ARG 205 Ca 0.59 1.59 0.01 0.00 0.00 0.00 0.00 55.73 57.92 1ney s ARG 205 Cb -0.27 -3.47 0.06 0.00 0.00 0.00 0.00 34.95 31.27 1ney s ARG 205 CO 0.23 -0.28 -0.03 0.42 0.00 0.00 0.00 175.30 175.64 1ney s ILE 206 N 1.58 2.61 0.24 1.52 1.01 -1.26 -1.51 121.20 125.40 1ney s ILE 206 Ca 0.54 -1.61 -0.08 0.00 0.00 0.00 0.00 60.65 59.50 1ney s ILE 206 Cb -0.24 -2.57 -0.07 0.00 0.01 0.00 0.00 42.46 39.59 1ney s ILE 206 CO 0.25 -0.15 0.54 -0.76 0.00 0.00 0.00 174.94 174.81 1ney s LEU 207 N 1.15 4.15 -0.07 2.97 1.43 0.85 -1.22 118.68 127.95 1ney s LEU 207 Ca -0.05 0.85 -0.13 0.00 -1.03 0.00 0.00 54.13 53.78 1ney s LEU 207 Cb -0.20 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.34 1ney s LEU 207 CO -0.03 -0.09 0.33 -0.47 0.23 0.00 0.00 176.35 176.32 1ney s TYR 208 N -1.86 3.63 0.07 0.29 5.04 -0.50 -0.56 117.35 123.46 1ney s TYR 208 Ca 0.46 0.80 -0.01 0.00 -2.44 0.00 0.00 57.07 55.89 1ney s TYR 208 Cb -0.11 -2.25 -0.04 0.00 0.35 0.00 0.00 41.96 39.91 1ney s TYR 208 CO 0.23 0.54 -0.02 0.20 -1.34 0.00 0.00 175.55 175.17 1ney s GLY 209 N -0.62 0.59 0.00 8.97 0.00 -0.47 -1.47 107.32 114.32 1ney s GLY 209 Ca 0.20 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.66 1ney s GLY 209 CO 0.09 -1.34 0.00 0.61 0.00 0.00 0.00 173.10 172.47 1ney n GLY 210 N 0.06 1.57 3.36 0.20 0.00 -1.26 -3.78 105.19 105.34 1ney n GLY 210 Ca -0.12 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 1ney n GLY 210 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ney n SER 211 N 0.00 -6.31 -4.68 1.61 7.64 -0.86 -4.40 113.62 106.63 1ney n SER 211 Ca 0.00 -0.44 -0.43 0.00 1.01 0.00 0.00 58.87 59.02 1ney n SER 211 Cb 0.00 -5.02 -0.02 0.00 -1.01 0.00 0.00 64.21 58.16 1ney n SER 211 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ney s ALA 212 N -3.26 3.56 0.29 -0.43 0.00 -1.26 -4.73 121.76 115.92 1ney s ALA 212 Ca 0.47 0.56 0.03 0.00 0.00 0.00 0.00 51.96 53.02 1ney s ALA 212 Cb -0.21 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 1ney s ALA 212 CO 0.58 -0.92 0.27 0.54 0.00 0.00 0.00 175.76 176.22 1ney s ASN 213 N 1.67 1.05 0.24 0.00 2.20 -1.26 -4.63 114.94 114.21 1ney s ASN 213 Ca 0.55 -1.58 0.22 0.00 -0.94 0.00 0.00 52.86 51.12 1ney s ASN 213 Cb -0.24 0.52 0.95 0.00 -2.00 0.00 0.00 41.25 40.49 1ney s ASN 213 CO 0.19 -1.03 1.68 0.61 -2.94 0.00 0.00 177.10 175.61 1ney n GLY 214 N -0.50 -1.21 0.13 0.45 0.00 -1.26 -1.90 105.19 100.89 1ney n GLY 214 Ca 0.05 0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1ney n GLY 214 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ney h SER 215 N 0.00 0.26 1.01 1.61 0.87 -1.96 -3.41 113.55 111.91 1ney h SER 215 Ca 0.00 -0.77 0.00 0.00 -1.23 0.00 0.00 61.79 59.79 1ney h SER 215 Cb 0.32 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1ney h SER 215 CO 0.00 1.70 -0.65 -0.55 -0.53 0.00 0.00 176.83 176.80 1ney h ASN 216 N -0.38 0.00 -0.88 6.23 7.08 -1.91 -3.37 115.58 122.34 1ney h ASN 216 Ca -0.39 -0.13 0.05 0.00 -3.08 0.00 0.00 56.30 52.75 1ney h ASN 216 Cb 1.73 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 37.91 1ney h ASN 216 CO -0.03 0.07 0.56 0.00 -2.08 0.00 0.00 177.43 175.95 1ney h ALA 217 N 2.34 1.19 0.00 4.14 0.00 -1.62 -1.02 119.26 124.30 1ney h ALA 217 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ney h ALA 217 Cb 0.83 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ney h ALA 217 CO 0.00 0.36 -0.06 -0.24 0.00 0.00 0.00 179.25 179.30 1ney h VAL 218 N 1.05 0.41 0.00 0.00 3.04 -1.81 -1.99 116.25 116.96 1ney h VAL 218 Ca 0.37 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.74 1ney h VAL 218 Cb 0.10 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 1ney h VAL 218 CO -0.15 0.06 0.00 0.35 -1.01 0.00 0.00 177.57 176.82 1ney n THR 219 N -3.55 0.86 0.83 3.17 -2.24 -0.39 -1.97 114.28 110.99 1ney n THR 219 Ca -0.02 0.22 0.11 0.00 -2.27 0.00 0.00 64.05 62.08 1ney n THR 219 Cb 0.18 -1.10 0.29 0.00 -2.10 0.00 0.00 70.33 67.61 1ney n THR 219 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1ney n PHE 220 N -2.05 0.36 0.06 4.78 3.72 -0.75 -4.66 117.46 118.92 1ney n PHE 220 Ca 0.03 -0.18 0.12 0.00 -0.05 0.00 0.00 57.45 57.37 1ney n PHE 220 Cb 0.22 0.00 0.59 0.00 -0.94 0.00 0.00 39.48 39.35 1ney n PHE 220 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1ney h LYS 221 N 3.05 0.17 -0.46 -1.08 2.10 -1.54 -2.40 116.57 116.43 1ney h LYS 221 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1ney h LYS 221 Cb 0.67 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1ney h LYS 221 CO 0.00 0.11 0.00 -0.25 -2.00 0.00 0.00 179.45 177.31 1ney n ASP 222 N -4.47 4.51 -4.46 7.07 8.00 -1.26 -4.89 116.55 121.05 1ney n ASP 222 Ca 0.05 -2.73 -0.44 0.00 0.71 0.00 0.00 54.79 52.39 1ney n ASP 222 Cb 0.32 -0.56 -0.05 0.00 -0.02 0.00 0.00 41.12 40.81 1ney n ASP 222 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ney s LYS 223 N -2.35 3.17 0.59 -1.24 -0.14 -0.90 -4.94 119.74 113.92 1ney s LYS 223 Ca 0.46 -0.77 0.29 0.00 -1.36 0.00 0.00 55.97 54.59 1ney s LYS 223 Cb 0.33 -4.12 1.80 0.00 -1.68 0.00 0.00 37.83 34.16 1ney s LYS 223 CO 0.16 -1.39 2.24 0.00 -0.76 0.00 0.00 175.35 175.60 1ney h ALA 224 N 9.16 1.51 -0.11 5.17 0.00 -1.90 -2.25 119.26 130.84 1ney h ALA 224 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ney h ALA 224 Cb 1.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ney h ALA 224 CO 1.04 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 180.05 1ney n ASP 225 N -3.84 2.95 -4.49 0.00 9.92 -1.26 -4.82 116.55 115.01 1ney n ASP 225 Ca -0.03 -1.92 -0.43 0.00 -0.53 0.00 0.00 54.79 51.89 1ney n ASP 225 Cb 0.09 -0.06 -0.09 0.00 -0.64 0.00 0.00 41.12 40.42 1ney n ASP 225 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ney s VAL 226 N -1.71 5.17 -1.74 2.53 1.01 -0.85 -4.66 120.40 120.16 1ney s VAL 226 Ca 0.28 -0.39 0.20 0.00 0.00 0.00 0.00 61.98 62.07 1ney s VAL 226 Cb 0.19 -3.95 0.58 0.00 0.00 0.00 0.00 36.38 33.19 1ney s VAL 226 CO 0.28 -0.32 1.48 0.47 0.00 0.00 0.00 175.10 177.01 1ney n ASP 227 N 5.40 3.76 0.00 3.32 10.43 -0.36 -4.87 116.55 134.22 1ney n ASP 227 Ca -0.09 -2.00 0.00 0.00 2.57 0.00 0.00 54.79 55.27 1ney n ASP 227 Cb 0.48 -0.44 0.00 0.00 1.84 0.00 0.00 41.12 43.00 1ney n ASP 227 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ney n GLY 228 N 1.41 0.36 2.97 0.44 0.00 -1.26 -1.77 105.19 107.34 1ney n GLY 228 Ca 0.22 -1.66 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 1ney n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ney s PHE 229 N -2.64 0.19 -0.31 1.61 0.08 -0.53 -1.41 117.98 114.97 1ney s PHE 229 Ca 0.00 -0.40 -0.07 0.00 0.12 0.00 0.00 56.93 56.58 1ney s PHE 229 Cb 0.00 -0.14 0.02 0.00 -0.57 0.00 0.00 43.02 42.32 1ney s PHE 229 CO 0.00 -0.17 0.09 -1.17 -0.10 0.00 0.00 175.22 173.88 1ney s LEU 230 N -1.19 4.01 -0.20 -0.37 2.96 -0.54 -0.77 118.68 122.58 1ney s LEU 230 Ca -0.13 -0.83 -0.04 0.00 -0.22 0.00 0.00 54.13 52.92 1ney s LEU 230 Cb -0.08 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 1ney s LEU 230 CO -0.01 -0.23 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.06 1ney s VAL 231 N 1.48 3.61 0.00 1.68 1.01 0.15 -4.15 120.40 124.19 1ney s VAL 231 Ca 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1ney s VAL 231 Cb -0.18 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.58 1ney s VAL 231 CO 0.03 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1ney n GLY 232 N 4.30 0.32 0.32 4.51 0.00 -1.26 -0.34 105.19 113.04 1ney n GLY 232 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.93 1ney n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ney h GLY 233 N 0.00 1.48 2.00 -0.02 0.00 -1.91 -0.72 103.07 103.90 1ney h GLY 233 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1ney h GLY 233 CO 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.51 1ney n ALA 234 N -2.40 1.85 0.45 3.60 0.00 -1.26 -2.55 120.51 120.20 1ney n ALA 234 Ca 0.18 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.73 1ney n ALA 234 Cb 0.46 -1.35 0.47 0.00 0.00 0.00 0.00 19.45 19.03 1ney n ALA 234 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ney n SER 235 N -1.83 0.68 -0.12 0.00 3.41 -0.28 -2.32 113.62 113.18 1ney n SER 235 Ca 0.04 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.43 1ney n SER 235 Cb 0.25 -0.80 0.49 0.00 -0.26 0.00 0.00 64.21 63.89 1ney n SER 235 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ney n LEU 236 N -2.23 0.57 -4.42 1.04 4.77 -1.06 -4.91 117.00 110.77 1ney n LEU 236 Ca 0.03 -0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.78 1ney n LEU 236 Cb 0.27 -0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 1ney n LEU 236 CO 0.22 0.11 -0.46 -0.54 -1.33 0.00 0.00 177.39 175.39 1ney s LYS 237 N -2.63 1.54 0.49 3.23 1.02 -0.98 -5.00 119.74 117.41 1ney s LYS 237 Ca 0.23 -1.70 0.20 0.00 0.02 0.00 0.00 55.97 54.72 1ney s LYS 237 Cb 0.19 -1.49 1.24 0.00 -0.52 0.00 0.00 37.83 37.25 1ney s LYS 237 CO 0.53 0.26 1.98 -1.35 -0.92 0.00 0.00 175.35 175.85 1ney h PRO 238 N 2.38 0.18 0.00 -1.68 0.11 -1.93 -2.26 132.00 128.80 1ney h PRO 238 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1ney h PRO 238 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ney h PRO 238 CO 0.61 0.12 0.00 -0.85 -0.21 0.00 0.00 178.00 177.67 1ney n GLU 239 N -4.43 0.02 -0.36 1.05 0.28 -1.26 -1.96 120.64 113.98 1ney n GLU 239 Ca 0.11 0.42 0.06 0.00 -0.16 0.00 0.00 57.16 57.59 1ney n GLU 239 Cb 0.53 -1.55 0.23 0.00 1.43 0.00 0.00 31.44 32.08 1ney n GLU 239 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1ney h PHE 240 N 0.00 1.14 -0.75 -1.84 3.57 -1.44 -0.86 116.94 116.77 1ney h PHE 240 Ca 0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 1ney h PHE 240 Cb 0.10 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 1ney h PHE 240 CO 0.00 0.47 0.31 0.28 -2.23 0.00 0.00 178.31 177.14 1ney h VAL 241 N 1.01 1.25 -0.64 1.41 2.07 -1.63 -2.29 116.25 117.43 1ney h VAL 241 Ca 0.49 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1ney h VAL 241 Cb 0.44 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1ney h VAL 241 CO -0.25 0.31 0.36 0.44 0.02 0.00 0.00 177.57 178.45 1ney h ASP 242 N 1.08 0.77 -0.54 0.57 3.45 -1.34 -1.23 116.42 119.19 1ney h ASP 242 Ca 0.25 -0.05 -0.02 0.00 0.43 0.00 0.00 57.03 57.64 1ney h ASP 242 Cb 0.19 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.74 1ney h ASP 242 CO -0.02 0.62 0.26 0.40 -1.57 0.00 0.00 179.24 178.93 1ney h ILE 243 N 0.88 1.20 -0.43 0.35 2.04 -0.95 -1.54 117.51 119.05 1ney h ILE 243 Ca 0.23 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1ney h ILE 243 Cb 0.00 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1ney h ILE 243 CO -0.04 0.22 0.21 0.40 0.00 0.00 0.00 178.15 178.94 1ney h ILE 244 N 0.72 1.15 -0.23 -0.67 2.04 -0.90 -2.01 117.51 117.61 1ney h ILE 244 Ca 0.18 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1ney h ILE 244 Cb 0.11 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1ney h ILE 244 CO -0.02 0.17 0.00 0.59 0.00 0.00 0.00 178.15 178.89 1ney n ASN 245 N -4.40 1.60 0.07 1.72 5.03 -0.51 -4.52 115.26 114.25 1ney n ASN 245 Ca 0.03 -1.83 0.10 0.00 0.87 0.00 0.00 54.58 53.75 1ney n ASN 245 Cb 0.12 -0.15 0.41 0.00 -1.02 0.00 0.00 39.78 39.14 1ney n ASN 245 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1ney n SER 246 N 0.32 0.35 -1.12 6.41 3.41 -0.62 -1.63 113.62 120.74 1ney n SER 246 Ca 0.13 0.58 0.09 0.00 -0.26 0.00 0.00 58.87 59.42 1ney n SER 246 Cb 0.29 -0.66 0.27 0.00 -0.26 0.00 0.00 64.21 63.85 1ney n SER 246 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ney n ARG 247 N -1.88 2.93 0.00 4.33 5.12 -1.26 -4.57 116.66 121.34 1ney n ARG 247 Ca 0.03 -2.49 0.05 0.00 -1.93 0.00 0.00 57.85 53.50 1ney n ARG 247 Cb 0.21 -1.52 0.28 0.00 -1.16 0.00 0.00 32.46 30.27 1ney n ARG 247 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79