#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 3.58 -0.03 0.00 0.52 -1.26 -4.95 118.95 116.82 1ney s ARG 3 Ca 0.00 -0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 54.35 1ney s ARG 3 Cb 0.00 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 32.52 1ney s ARG 3 CO 0.00 0.15 1.31 0.99 0.02 0.00 0.00 175.30 177.78 1ney s THR 4 N 0.58 3.95 0.24 0.02 2.01 -1.26 -4.96 115.64 116.23 1ney s THR 4 Ca -0.03 1.31 -0.31 0.00 0.31 0.00 0.00 61.69 62.96 1ney s THR 4 Cb -0.15 -3.84 -0.13 0.00 0.01 0.00 0.00 72.50 68.39 1ney s THR 4 CO 0.03 -0.00 1.52 0.33 -0.69 0.00 0.00 174.62 175.81 1ney n PHE 5 N 5.31 2.44 -4.62 4.92 7.35 -1.25 -4.79 117.46 126.81 1ney n PHE 5 Ca 0.12 0.31 -0.26 0.00 -0.76 0.00 0.00 57.45 56.87 1ney n PHE 5 Cb 0.45 -2.54 -0.17 0.00 0.35 0.00 0.00 39.48 37.58 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 0.24 1.64 -0.18 -5.13 2.19 -0.68 -0.91 117.98 115.15 1ney s PHE 6 Ca 0.69 -0.64 0.00 0.00 0.33 0.00 0.00 56.93 57.32 1ney s PHE 6 Cb -0.59 -1.18 0.04 0.00 -1.31 0.00 0.00 43.02 39.97 1ney s PHE 6 CO 0.46 -0.32 -0.08 0.08 1.83 0.00 0.00 175.22 177.19 1ney s VAL 7 N 0.69 1.38 -0.09 3.12 1.01 -0.16 -1.60 120.40 124.75 1ney s VAL 7 Ca -0.14 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 60.91 1ney s VAL 7 Cb -0.16 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1ney s VAL 7 CO 0.03 0.14 0.22 -0.83 0.00 0.00 0.00 175.10 174.66 1ney s GLY 8 N 1.51 2.25 -0.31 4.51 0.00 -0.07 -1.22 107.32 113.99 1ney s GLY 8 Ca -0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 44.72 44.19 1ney s GLY 8 CO -0.08 -0.20 0.02 -0.32 0.00 0.00 0.00 173.10 172.52 1ney s GLY 9 N -0.99 1.79 -0.58 0.20 0.00 0.38 -0.76 107.32 107.37 1ney s GLY 9 Ca 0.17 -1.90 -0.19 0.00 0.00 0.00 0.00 44.72 42.81 1ney s GLY 9 CO 0.07 0.74 0.70 0.21 0.00 0.00 0.00 173.10 174.82 1ney s ASN 10 N 1.30 6.19 0.38 1.64 2.47 0.58 -0.39 114.94 127.12 1ney s ASN 10 Ca -0.03 -1.30 0.28 0.00 0.42 0.00 0.00 52.86 52.23 1ney s ASN 10 Cb -0.20 -2.30 1.21 0.00 -1.45 0.00 0.00 41.25 38.51 1ney s ASN 10 CO -0.02 -1.08 1.84 -0.26 -3.72 0.00 0.00 177.10 173.86 1ney h PHE 11 N 9.16 0.00 0.00 0.43 0.04 -1.68 -3.39 116.94 121.50 1ney h PHE 11 Ca -0.29 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.48 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 0.82 0.00 0.00 1.63 -0.60 0.00 0.00 178.31 180.16 1ney n LYS 12 N -2.57 0.00 -2.43 1.51 5.02 -1.26 -3.41 118.16 115.02 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 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.24 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 6.35 -3.74 -0.35 7.94 -1.26 -4.28 117.00 121.65 1ney n LEU 13 Ca 0.00 -4.57 -0.13 0.00 -1.11 0.00 0.00 56.01 50.20 1ney n LEU 13 Cb 0.00 -1.52 -0.09 0.00 0.53 0.00 0.00 43.42 42.33 1ney n LEU 13 CO 0.00 1.21 0.05 0.20 -1.11 0.00 0.00 177.39 177.75 1ney s ASN 14 N 1.44 -0.32 0.00 1.96 0.01 -1.22 -5.13 114.94 111.67 1ney s ASN 14 Ca 0.41 0.49 0.00 0.00 -0.71 0.00 0.00 52.86 53.05 1ney s ASN 14 Cb 0.07 0.58 0.00 0.00 0.41 0.00 0.00 41.25 42.31 1ney s ASN 14 CO 0.00 -0.28 0.00 0.61 -1.51 0.00 0.00 177.10 175.92 1ney n GLY 15 N 2.16 3.57 3.30 0.66 0.00 -1.26 -4.60 105.19 109.02 1ney n GLY 15 Ca -0.17 -1.83 -0.16 0.00 0.00 0.00 0.00 46.02 43.86 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 1.11 0.22 1.61 1.04 -1.26 -4.99 113.70 111.43 1ney s SER 16 Ca 0.00 -1.47 -0.07 0.00 0.48 0.00 0.00 55.95 54.88 1ney s SER 16 Cb 0.00 0.32 0.32 0.00 0.10 0.00 0.00 66.02 66.77 1ney s SER 16 CO 0.00 -0.84 1.78 0.11 0.98 0.00 0.00 173.24 175.27 1ney h LYS 17 N 2.36 0.57 -0.32 4.02 1.57 -2.00 -0.46 116.57 122.31 1ney h LYS 17 Ca -0.35 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.36 1ney h LYS 17 Cb 1.25 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1ney h LYS 17 CO 0.54 0.38 0.05 0.37 -0.57 0.00 0.00 179.45 180.22 1ney h GLN 18 N 0.59 0.53 0.01 3.15 5.75 -1.99 -1.78 115.11 121.37 1ney h GLN 18 Ca 0.34 -0.14 -0.22 0.00 -0.15 0.00 0.00 58.65 58.48 1ney h GLN 18 Cb 0.36 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.84 1ney h GLN 18 CO -0.27 0.62 -0.94 0.66 -2.65 0.00 0.00 178.83 176.26 1ney h SER 19 N 0.36 0.43 -0.21 -0.69 4.64 -1.88 -2.36 113.55 113.84 1ney h SER 19 Ca 0.10 -0.35 -0.17 0.00 -0.47 0.00 0.00 61.79 60.89 1ney h SER 19 Cb 0.35 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1ney h SER 19 CO 0.01 1.16 -0.50 0.40 -0.87 0.00 0.00 176.83 177.02 1ney h ILE 20 N 0.18 1.29 -0.59 0.95 2.04 -1.08 -1.99 117.51 118.31 1ney h ILE 20 Ca -0.07 -1.70 0.08 0.00 1.00 0.00 0.00 64.86 64.18 1ney h ILE 20 Cb 1.58 1.60 -0.07 0.00 -0.74 0.00 0.00 36.82 39.19 1ney h ILE 20 CO 0.16 0.55 0.24 0.50 0.00 0.00 0.00 178.15 179.59 1ney h LYS 21 N 0.61 0.42 -0.82 2.37 3.64 -1.17 -0.45 116.57 121.17 1ney h LYS 21 Ca 0.03 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1ney h LYS 21 Cb 1.08 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.77 1ney h LYS 21 CO 0.11 0.28 0.43 1.49 -2.27 0.00 0.00 179.45 179.49 1ney h GLU 22 N 0.43 1.16 -0.26 1.90 4.81 -1.13 0.27 114.58 121.76 1ney h GLU 22 Ca 0.29 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1ney h GLU 22 Cb 0.32 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1ney h GLU 22 CO -0.27 0.87 0.07 0.82 -0.73 0.00 0.00 179.01 179.76 1ney h ILE 23 N 1.15 1.21 -0.34 2.32 2.04 -0.77 -1.93 117.51 121.19 1ney h ILE 23 Ca 0.29 -0.68 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 1ney h ILE 23 Cb 0.06 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1ney h ILE 23 CO -0.04 0.22 -0.23 0.58 0.00 0.00 0.00 178.15 178.68 1ney h VAL 24 N 0.24 1.29 -0.55 1.67 2.07 -0.92 -2.54 116.25 117.52 1ney h VAL 24 Ca 0.08 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 1ney h VAL 24 Cb 0.27 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1ney h VAL 24 CO 0.00 0.45 0.25 -0.33 0.02 0.00 0.00 177.57 177.96 1ney h GLU 25 N 0.54 0.77 -0.54 1.57 5.08 -0.95 -0.01 114.58 121.04 1ney h GLU 25 Ca 0.07 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1ney h GLU 25 Cb 0.79 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1ney h GLU 25 CO 0.06 0.61 0.33 -0.09 -1.00 0.00 0.00 179.01 178.92 1ney h ARG 26 N 0.77 0.63 -0.62 2.33 2.43 -1.16 -1.80 114.38 116.97 1ney h ARG 26 Ca 0.19 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1ney h ARG 26 Cb 0.10 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1ney h ARG 26 CO -0.02 0.42 0.20 -0.07 -1.51 0.00 0.00 179.97 178.99 1ney h LEU 27 N 0.65 0.89 -1.81 3.80 3.38 -0.95 -1.74 115.31 119.52 1ney h LEU 27 Ca 0.22 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1ney h LEU 27 Cb 0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1ney h LEU 27 CO -0.09 0.85 0.20 0.78 0.09 0.00 0.00 178.44 180.27 1ney h ASN 28 N 0.88 0.21 -0.02 -0.43 2.35 -0.58 -2.93 115.58 115.06 1ney h ASN 28 Ca 0.20 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1ney h ASN 28 Cb 0.27 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1ney h ASN 28 CO -0.01 0.15 -0.33 0.35 -1.65 0.00 0.00 177.43 175.93 1ney n THR 29 N -4.49 0.00 -2.07 2.81 -2.24 -0.72 -4.85 114.28 102.72 1ney n THR 29 Ca 0.03 -0.33 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 1ney n THR 29 Cb 0.19 1.31 0.01 0.00 -2.10 0.00 0.00 70.33 69.74 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 -2.26 3.17 -0.45 6.98 0.00 -0.68 -5.01 121.76 123.51 1ney s ALA 30 Ca 0.20 -0.22 -0.28 0.00 0.00 0.00 0.00 51.96 51.66 1ney s ALA 30 Cb 0.18 -2.95 0.01 0.00 0.00 0.00 0.00 23.12 20.36 1ney s ALA 30 CO 0.48 -0.63 1.43 0.45 0.00 0.00 0.00 175.76 177.49 1ney s SER 31 N -4.17 6.25 -0.05 0.00 0.15 -1.26 -5.01 113.70 109.60 1ney s SER 31 Ca 0.53 0.69 0.04 0.00 0.70 0.00 0.00 55.95 57.91 1ney s SER 31 Cb -0.11 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1ney s SER 31 CO 0.51 -1.53 -0.16 -0.63 1.20 0.00 0.00 173.24 172.63 1ney s ILE 32 N 5.70 1.38 0.71 6.45 1.01 -1.26 -4.86 121.20 130.34 1ney s ILE 32 Ca 0.60 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 60.43 1ney s ILE 32 Cb -0.13 -1.21 0.03 0.00 0.01 0.00 0.00 42.46 41.16 1ney s ILE 32 CO 0.31 0.40 1.17 -2.84 0.00 0.00 0.00 174.94 173.98 1ney s PRO 33 N 0.21 2.36 0.19 2.79 0.02 -1.26 -4.92 135.00 134.39 1ney s PRO 33 Ca -0.07 1.61 -0.24 0.00 0.02 0.00 0.00 61.00 62.31 1ney s PRO 33 Cb -0.13 -1.87 0.08 0.00 0.02 0.00 0.00 34.50 32.59 1ney s PRO 33 CO 0.03 -1.64 1.55 1.49 -0.33 0.00 0.00 177.00 178.10 1ney h GLU 34 N -0.21 -0.04 -1.35 5.54 4.81 -2.02 -3.25 114.58 118.06 1ney h GLU 34 Ca -0.47 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.05 1ney h GLU 34 Cb 1.28 0.01 -0.28 0.00 0.63 0.00 0.00 28.75 30.38 1ney h GLU 34 CO 0.51 -0.02 0.94 0.27 -0.73 0.00 0.00 179.01 179.98 1ney n ASN 35 N -5.37 7.65 -4.18 1.04 6.94 -1.26 -4.91 115.26 115.18 1ney n ASN 35 Ca 0.05 -3.80 -0.22 0.00 -0.02 0.00 0.00 54.58 50.59 1ney n ASN 35 Cb 0.33 -1.01 -0.13 0.00 -2.36 0.00 0.00 39.78 36.61 1ney n ASN 35 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1ney s VAL 36 N -4.90 1.28 -0.23 3.53 0.11 -1.23 -3.86 120.40 115.11 1ney s VAL 36 Ca 0.60 -1.08 -0.06 0.00 -2.93 0.00 0.00 61.98 58.52 1ney s VAL 36 Cb 0.48 -1.15 -0.02 0.00 -1.53 0.00 0.00 36.38 34.16 1ney s VAL 36 CO -0.15 0.06 0.01 -0.70 -3.33 0.00 0.00 175.10 170.99 1ney s GLU 37 N -1.18 3.56 -0.12 1.54 2.12 -0.09 -4.78 118.70 119.75 1ney s GLU 37 Ca 0.03 -0.54 0.02 0.00 0.36 0.00 0.00 54.97 54.85 1ney s GLU 37 Cb -0.08 -3.16 -0.01 0.00 0.26 0.00 0.00 34.13 31.15 1ney s GLU 37 CO 0.01 -0.13 -0.18 0.08 -0.54 0.00 0.00 175.26 174.50 1ney s VAL 38 N 1.39 2.57 -0.13 3.70 1.01 0.02 -0.99 120.40 127.97 1ney s VAL 38 Ca 0.05 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 1ney s VAL 38 Cb -0.15 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.22 1ney s VAL 38 CO 0.01 0.54 -0.08 -0.69 0.00 0.00 0.00 175.10 174.88 1ney s VAL 39 N 0.37 1.08 -0.15 2.92 1.01 -0.35 -1.28 120.40 124.00 1ney s VAL 39 Ca -0.14 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 1ney s VAL 39 Cb -0.17 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1ney s VAL 39 CO 0.07 0.33 0.13 0.27 0.00 0.00 0.00 175.10 175.89 1ney s ILE 40 N 1.68 5.39 -0.56 2.22 -4.36 -0.33 -0.47 121.20 124.77 1ney s ILE 40 Ca 0.04 0.17 0.04 0.00 -0.26 0.00 0.00 60.65 60.64 1ney s ILE 40 Cb -0.13 -3.38 0.15 0.00 1.25 0.00 0.00 42.46 40.34 1ney s ILE 40 CO -0.08 0.55 0.34 0.00 0.24 0.00 0.00 174.94 175.99 1ney s PRO 42 N -0.54 2.10 0.65 0.00 0.04 -1.24 -2.04 135.00 133.97 1ney s PRO 42 Ca 0.21 0.04 -0.17 0.00 0.04 0.00 0.00 61.00 61.11 1ney s PRO 42 Cb -0.16 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1ney s PRO 42 CO -0.07 -1.45 0.88 -2.30 0.04 0.00 0.00 177.00 174.09 1ney n PRO 43 N -3.18 0.68 -0.16 0.56 -0.02 -1.26 -4.42 135.00 127.20 1ney n PRO 43 Ca 0.08 0.28 0.13 0.00 -2.02 0.00 0.00 63.50 61.96 1ney n PRO 43 Cb 0.61 -2.11 0.46 0.00 -0.02 0.00 0.00 33.50 32.44 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 0.14 1.98 -0.46 3.55 0.00 -1.95 -0.00 119.26 122.52 1ney h ALA 44 Ca -0.48 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.56 1ney h ALA 44 Cb 1.36 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1ney h ALA 44 CO 0.48 -0.16 0.41 1.15 0.00 0.00 0.00 179.25 181.13 1ney h THR 45 N 0.50 0.52 -0.19 0.00 2.02 -2.04 -2.41 112.91 111.32 1ney h THR 45 Ca 0.34 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.52 1ney h THR 45 Cb 0.65 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1ney h THR 45 CO -0.12 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.55 1ney n TYR 46 N -3.99 0.32 0.17 3.16 4.02 -0.02 -4.78 117.16 116.03 1ney n TYR 46 Ca 0.08 -0.59 -0.14 0.00 -0.01 0.00 0.00 57.90 57.24 1ney n TYR 46 Cb 0.61 -0.08 -0.08 0.00 -0.02 0.00 0.00 39.34 39.77 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 1.11 -0.34 -0.36 7.72 3.38 -1.34 -1.05 115.31 124.42 1ney h LEU 47 Ca 0.00 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1ney h LEU 47 Cb 0.75 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1ney h LEU 47 CO 0.03 -0.13 0.20 -0.78 0.09 0.00 0.00 178.44 177.85 1ney h ASP 48 N -0.54 0.32 -0.51 -0.43 -0.00 -1.83 -1.72 116.42 111.72 1ney h ASP 48 Ca -0.04 0.01 0.02 0.00 -0.00 0.00 0.00 57.03 57.01 1ney h ASP 48 Cb 0.40 -0.06 -0.03 0.00 -0.00 0.00 0.00 39.33 39.64 1ney h ASP 48 CO 0.07 0.24 0.32 0.22 -0.00 0.00 0.00 179.24 180.08 1ney h TYR 49 N 0.42 0.60 -0.29 0.28 3.20 -1.88 -1.22 116.97 118.07 1ney h TYR 49 Ca 0.15 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 1ney h TYR 49 Cb 0.02 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1ney h TYR 49 CO -0.08 0.35 0.18 0.77 -1.64 0.00 0.00 178.16 177.74 1ney h SER 50 N 0.64 0.35 -0.70 -2.11 0.02 -0.90 -2.13 113.55 108.71 1ney h SER 50 Ca 0.20 -0.05 0.09 0.00 -0.84 0.00 0.00 61.79 61.18 1ney h SER 50 Cb -0.02 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.37 1ney h SER 50 CO -0.07 0.30 0.35 0.58 -1.14 0.00 0.00 176.83 176.85 1ney h VAL 51 N 0.37 0.86 0.00 2.27 2.07 -0.96 -2.16 116.25 118.71 1ney h VAL 51 Ca 0.10 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1ney h VAL 51 Cb 0.01 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1ney h VAL 51 CO -0.02 0.11 -0.12 0.77 0.02 0.00 0.00 177.57 178.33 1ney h SER 52 N 0.61 0.00 1.04 0.57 4.64 -0.61 -2.83 113.55 116.96 1ney h SER 52 Ca 0.34 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.56 1ney h SER 52 Cb 0.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 1ney h SER 52 CO -0.26 0.12 -1.02 -0.07 -0.87 0.00 0.00 176.83 174.73 1ney h LEU 53 N 0.00 0.00 -9.61 5.97 3.38 -0.85 -3.47 115.31 110.73 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 0.24 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.02 1ney h LEU 53 CO 0.02 0.39 0.66 -0.69 0.09 0.00 0.00 178.44 178.91 1ney s VAL 54 N -3.05 3.35 0.00 1.22 1.01 -1.00 -4.88 120.40 117.04 1ney s VAL 54 Ca -0.00 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1ney s VAL 54 Cb 0.08 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1ney s VAL 54 CO 0.78 0.12 0.03 0.29 0.00 0.00 0.00 175.10 176.32 1ney n LYS 55 N 3.24 5.83 -3.24 2.72 4.76 -1.26 -5.03 118.16 125.18 1ney n LYS 55 Ca 0.08 -0.03 -0.39 0.00 -2.87 0.00 0.00 58.31 55.10 1ney n LYS 55 Cb 0.43 -0.48 -0.07 0.00 -1.84 0.00 0.00 35.03 33.07 1ney n LYS 55 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1ney s LYS 56 N -0.84 4.15 0.50 1.97 2.47 -1.26 -4.98 119.74 121.75 1ney s LYS 56 Ca 0.00 0.39 0.20 0.00 -1.56 0.00 0.00 55.97 54.99 1ney s LYS 56 Cb 0.00 -3.59 1.27 0.00 -1.46 0.00 0.00 37.83 34.05 1ney s LYS 56 CO 0.00 -0.22 2.08 -1.35 0.16 0.00 0.00 175.35 176.03 1ney h PRO 57 N 7.64 0.00 0.00 4.03 0.11 -1.99 -1.86 132.00 139.93 1ney h PRO 57 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1ney h PRO 57 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ney h PRO 57 CO 0.73 0.10 0.00 1.04 -0.21 0.00 0.00 178.00 179.67 1ney n GLN 58 N -4.17 0.11 -4.29 1.05 3.00 -1.26 -4.75 117.38 107.07 1ney n GLN 58 Ca -0.03 0.14 -0.34 0.00 -0.01 0.00 0.00 57.00 56.77 1ney n GLN 58 Cb 0.19 -1.50 -0.13 0.00 0.00 0.00 0.00 30.24 28.80 1ney n GLN 58 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1ney s VAL 59 N -2.84 3.71 0.38 5.09 1.01 -0.70 -0.80 120.40 126.24 1ney s VAL 59 Ca 0.13 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1ney s VAL 59 Cb 0.13 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1ney s VAL 59 CO 0.33 0.47 0.10 0.42 0.00 0.00 0.00 175.10 176.41 1ney s THR 60 N 0.71 0.84 -0.02 3.92 -4.23 -0.40 -4.82 115.64 111.65 1ney s THR 60 Ca -0.02 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.56 1ney s THR 60 Cb -0.15 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 1ney s THR 60 CO 0.02 0.00 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.18 1ney s VAL 61 N -3.25 2.32 0.19 2.29 1.01 -1.26 -1.19 120.40 120.52 1ney s VAL 61 Ca 0.28 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1ney s VAL 61 Cb 0.05 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 1ney s VAL 61 CO 0.14 0.55 -0.07 -0.83 0.00 0.00 0.00 175.10 174.89 1ney s GLY 62 N -0.73 1.33 0.45 4.51 0.00 0.28 -0.76 107.32 112.40 1ney s GLY 62 Ca 0.11 -1.63 0.01 0.00 0.00 0.00 0.00 44.72 43.21 1ney s GLY 62 CO -0.00 -1.65 0.66 0.00 0.00 0.00 0.00 173.10 172.11 1ney s ALA 63 N -3.29 3.84 -0.51 3.20 0.00 -0.13 -3.61 121.76 121.25 1ney s ALA 63 Ca 0.22 -1.15 0.23 0.00 0.00 0.00 0.00 51.96 51.26 1ney s ALA 63 Cb 0.03 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 21.08 1ney s ALA 63 CO 0.05 -0.39 0.97 1.04 0.00 0.00 0.00 175.76 177.43 1ney n GLN 64 N -2.07 0.36 -3.59 0.00 6.02 -1.26 -0.79 117.38 116.05 1ney n GLN 64 Ca 0.02 -0.01 -0.05 0.00 -0.01 0.00 0.00 57.00 56.95 1ney n GLN 64 Cb 0.58 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 30.20 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 -4.16 -0.18 0.23 1.08 2.47 -1.23 -4.47 114.94 108.67 1ney s ASN 65 Ca 0.02 0.07 -0.15 0.00 0.42 0.00 0.00 52.86 53.22 1ney s ASN 65 Cb 0.14 0.18 0.01 0.00 -1.45 0.00 0.00 41.25 40.12 1ney s ASN 65 CO 0.81 -0.26 0.52 0.00 -3.72 0.00 0.00 177.10 174.45 1ney s ALA 66 N -2.05 -0.60 0.75 1.71 0.00 -1.26 -4.67 121.76 115.65 1ney s ALA 66 Ca 0.07 -0.58 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 1ney s ALA 66 Cb -0.01 0.95 0.12 0.00 0.00 0.00 0.00 23.12 24.18 1ney s ALA 66 CO -0.05 -0.85 1.05 -0.47 0.00 0.00 0.00 175.76 175.44 1ney s TYR 67 N -3.95 1.97 -2.10 0.00 5.04 -0.25 -4.92 117.35 113.14 1ney s TYR 67 Ca 0.16 0.02 0.20 0.00 -2.44 0.00 0.00 57.07 55.01 1ney s TYR 67 Cb -0.01 -3.26 0.54 0.00 0.35 0.00 0.00 41.96 39.58 1ney s TYR 67 CO 0.04 -1.78 1.46 1.47 -1.34 0.00 0.00 175.55 175.40 1ney n LEU 68 N -3.01 3.25 -4.28 6.97 -0.00 -1.26 -4.74 117.00 113.94 1ney n LEU 68 Ca 0.13 -1.58 -0.20 0.00 -0.00 0.00 0.00 56.01 54.37 1ney n LEU 68 Cb 0.60 -0.37 -0.11 0.00 -0.00 0.00 0.00 43.42 43.54 1ney n LEU 68 CO 0.45 0.79 -0.46 -0.54 -0.00 0.00 0.00 177.39 177.63 1ney s LYS 69 N -1.26 1.12 0.15 1.47 -0.14 -1.26 -4.88 119.74 114.94 1ney s LYS 69 Ca 0.41 -1.29 0.15 0.00 -1.36 0.00 0.00 55.97 53.87 1ney s LYS 69 Cb 0.22 -1.07 -0.06 0.00 -1.68 0.00 0.00 37.83 35.23 1ney s LYS 69 CO 0.29 0.21 1.13 0.00 -0.76 0.00 0.00 175.35 176.22 1ney h ALA 70 N 3.45 0.63 -2.71 5.17 0.00 -1.96 -3.43 119.26 120.41 1ney h ALA 70 Ca -0.41 -0.72 -0.07 0.00 0.00 0.00 0.00 54.91 53.72 1ney h ALA 70 Cb 1.20 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.96 1ney h ALA 70 CO 0.50 0.86 -0.18 -1.54 0.00 0.00 0.00 179.25 178.89 1ney s SER 71 N -6.18 -0.09 0.00 0.00 1.04 -1.26 -4.72 113.70 102.49 1ney s SER 71 Ca 0.00 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1ney s SER 71 Cb 0.08 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1ney s SER 71 CO 0.79 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1ney n GLY 72 N -0.23 0.86 2.73 7.32 0.00 -1.26 -4.97 105.19 109.65 1ney n GLY 72 Ca -0.11 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 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 5.84 -3.20 4.61 0.00 -1.26 -4.72 120.51 120.78 1ney n ALA 73 Ca 0.00 -4.17 -0.25 0.00 0.00 0.00 0.00 53.44 49.02 1ney n ALA 73 Cb 0.00 -3.03 -0.06 0.00 0.00 0.00 0.00 19.45 16.37 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 3.64 2.26 -1.61 0.00 3.72 -1.26 -5.09 117.46 119.12 1ney n PHE 74 Ca 0.48 -3.92 -0.52 0.00 -0.05 0.00 0.00 57.45 53.44 1ney n PHE 74 Cb 0.33 -0.47 -0.06 0.00 -0.94 0.00 0.00 39.48 38.34 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 0.57 0.04 -0.13 4.37 -1.04 -1.26 -2.03 114.28 114.80 1ney n THR 75 Ca 0.27 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 1ney n THR 75 Cb 0.48 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 68.05 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 2.79 1.41 3.91 3.41 0.00 -1.26 -5.07 105.19 110.38 1ney n GLY 76 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.46 3.10 0.08 1.61 0.41 -0.86 -5.10 118.70 117.48 1ney s GLU 77 Ca 0.00 0.18 0.01 0.00 -0.41 0.00 0.00 54.97 54.74 1ney s GLU 77 Cb 0.00 -2.24 -0.04 0.00 -1.78 0.00 0.00 34.13 30.07 1ney s GLU 77 CO 0.00 -0.63 0.21 -0.80 -0.49 0.00 0.00 175.26 173.54 1ney s ASN 78 N -4.26 6.26 -0.08 -0.19 0.01 -1.26 -5.00 114.94 110.42 1ney s ASN 78 Ca 0.53 0.22 0.03 0.00 -0.71 0.00 0.00 52.86 52.93 1ney s ASN 78 Cb -0.11 -1.90 -0.02 0.00 0.41 0.00 0.00 41.25 39.64 1ney s ASN 78 CO 0.47 0.15 -0.17 -0.55 -1.51 0.00 0.00 177.10 175.50 1ney s SER 79 N -2.60 3.78 0.43 -1.22 0.15 -1.26 -1.09 113.70 111.88 1ney s SER 79 Ca 0.34 -0.32 0.09 0.00 0.70 0.00 0.00 55.95 56.76 1ney s SER 79 Cb -0.13 -1.12 0.92 0.00 -1.71 0.00 0.00 66.02 63.98 1ney s SER 79 CO 0.27 0.26 2.04 -0.37 1.20 0.00 0.00 173.24 176.64 1ney h VAL 80 N 4.91 1.10 -0.29 4.45 -1.51 -1.85 -0.91 116.25 122.15 1ney h VAL 80 Ca -0.35 -0.30 -0.07 0.00 -1.23 0.00 0.00 66.70 64.75 1ney h VAL 80 Cb 1.18 0.77 -0.02 0.00 -2.13 0.00 0.00 31.29 31.10 1ney h VAL 80 CO 0.51 0.12 -0.14 0.44 -1.23 0.00 0.00 177.57 177.27 1ney h ASP 81 N 0.37 0.48 0.01 4.19 3.45 -1.93 -1.23 116.42 121.76 1ney h ASP 81 Ca 0.09 -0.13 -0.24 0.00 0.43 0.00 0.00 57.03 57.18 1ney h ASP 81 Cb 0.06 -0.13 0.01 0.00 -0.56 0.00 0.00 39.33 38.72 1ney h ASP 81 CO -0.01 0.65 -0.93 1.56 -1.57 0.00 0.00 179.24 178.93 1ney h GLN 82 N 0.45 0.68 -0.41 3.56 4.20 -1.62 -0.67 115.11 121.30 1ney h GLN 82 Ca 0.08 -0.67 0.04 0.00 0.06 0.00 0.00 58.65 58.17 1ney h GLN 82 Cb 0.51 0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.42 1ney h GLN 82 CO 0.03 1.26 0.17 0.82 -0.67 0.00 0.00 178.83 180.45 1ney h ILE 83 N 0.42 0.92 -0.60 2.54 2.04 -1.13 -2.50 117.51 119.19 1ney h ILE 83 Ca -0.10 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 1ney h ILE 83 Cb 1.57 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1ney h ILE 83 CO 0.18 0.06 0.15 0.50 0.00 0.00 0.00 178.15 179.05 1ney h LYS 84 N 0.36 0.96 -0.75 2.37 3.64 -1.18 -2.11 116.57 119.85 1ney h LYS 84 Ca 0.18 -0.23 0.13 0.00 -1.27 0.00 0.00 60.65 59.46 1ney h LYS 84 Cb 0.14 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 1ney h LYS 84 CO -0.16 0.88 0.50 0.22 -2.27 0.00 0.00 179.45 178.61 1ney h ASP 85 N 0.87 0.47 -0.38 4.20 3.58 -0.69 -1.34 116.42 123.13 1ney h ASP 85 Ca 0.19 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1ney h ASP 85 Cb 0.35 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1ney h ASP 85 CO 0.00 0.26 0.00 1.33 -2.88 0.00 0.00 179.24 177.95 1ney n VAL 86 N -4.49 0.50 -0.13 2.25 0.24 -1.02 -4.94 118.33 110.73 1ney n VAL 86 Ca 0.14 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1ney n VAL 86 Cb 0.45 0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 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 1.38 0.85 3.86 7.63 0.00 -0.50 -4.67 105.19 113.73 1ney n GLY 87 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.06 3.08 0.00 4.61 0.00 -0.81 -4.76 121.76 121.82 1ney s ALA 88 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1ney s ALA 88 Cb 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1ney s ALA 88 CO 0.00 -0.46 0.00 1.63 0.00 0.00 0.00 175.76 176.93 1ney n LYS 89 N -2.15 4.65 -4.16 0.00 4.76 0.06 -4.15 118.16 117.17 1ney n LYS 89 Ca 0.06 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.40 1ney n LYS 89 Cb 0.54 -0.59 -0.10 0.00 -1.84 0.00 0.00 35.03 33.04 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 -1.14 0.86 -0.01 2.13 1.51 -1.21 -1.24 117.35 118.25 1ney s TYR 90 Ca 0.00 -1.09 0.01 0.00 -1.01 0.00 0.00 57.07 54.98 1ney s TYR 90 Cb 0.00 -0.51 0.00 0.00 -0.11 0.00 0.00 41.96 41.34 1ney s TYR 90 CO 0.00 -0.35 -0.02 0.54 -1.11 0.00 0.00 175.55 174.61 1ney s VAL 91 N -3.85 0.23 -0.06 0.71 0.11 -0.07 -0.96 120.40 116.51 1ney s VAL 91 Ca 0.18 -0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 58.85 1ney s VAL 91 Cb 0.07 -0.22 -0.02 0.00 -1.53 0.00 0.00 36.38 34.67 1ney s VAL 91 CO -0.02 0.09 1.07 -0.63 -3.33 0.00 0.00 175.10 172.27 1ney s ILE 92 N 0.18 4.61 -0.02 7.04 1.01 0.03 -1.28 121.20 132.77 1ney s ILE 92 Ca -0.02 1.88 0.04 0.00 0.00 0.00 0.00 60.65 62.56 1ney s ILE 92 Cb -0.04 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 1ney s ILE 92 CO -0.00 0.04 -0.13 -0.76 0.00 0.00 0.00 174.94 174.09 1ney s LEU 93 N 1.80 1.96 0.00 2.97 1.43 -0.29 -3.54 118.68 123.00 1ney s LEU 93 Ca 0.52 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1ney s LEU 93 Cb -0.21 -0.70 0.00 0.00 0.03 0.00 0.00 46.19 45.30 1ney s LEU 93 CO 0.22 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.55 1ney n GLY 94 N 2.92 0.43 3.67 -3.19 0.00 -1.26 -1.43 105.19 106.34 1ney n GLY 94 Ca -0.16 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.98 1.78 -0.31 1.61 -0.00 -1.26 -4.46 115.22 109.59 1ney n HIS 95 Ca 0.00 0.50 0.18 0.00 0.46 0.00 0.00 57.72 58.86 1ney n HIS 95 Cb 0.00 -2.31 0.44 0.00 -0.12 0.00 0.00 29.99 27.99 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 1.72 0.57 0.30 0.26 0.87 -1.95 0.04 113.55 115.36 1ney h SER 96 Ca -0.47 0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.12 1ney h SER 96 Cb 1.31 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.24 1ney h SER 96 CO 0.58 0.18 -0.23 -0.33 -0.53 0.00 0.00 176.83 176.50 1ney h GLU 97 N 0.54 0.00 0.22 2.24 5.08 -1.98 -0.41 114.58 120.27 1ney h GLU 97 Ca 0.55 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.58 1ney h GLU 97 Cb 1.17 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.45 1ney h GLU 97 CO -0.29 0.23 -1.50 0.00 -1.00 0.00 0.00 179.01 176.45 1ney h ARG 98 N 0.00 0.47 -0.43 2.33 2.47 -1.37 -2.86 114.38 114.99 1ney h ARG 98 Ca -0.00 -0.81 -0.06 0.00 -1.26 0.00 0.00 59.98 57.85 1ney h ARG 98 Cb 0.44 0.30 -0.02 0.00 -1.65 0.00 0.00 29.97 29.04 1ney h ARG 98 CO 0.03 1.39 0.02 0.00 0.56 0.00 0.00 179.97 181.97 1ney h ARG 99 N 0.07 0.68 0.00 0.04 3.08 -1.03 -2.04 114.38 115.18 1ney h ARG 99 Ca -0.27 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1ney h ARG 99 Cb 2.09 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 32.05 1ney h ARG 99 CO 0.23 0.69 0.00 0.45 -1.07 0.00 0.00 179.97 180.27 1ney n SER 100 N -4.25 0.00 -0.35 7.04 2.88 -0.19 -3.23 113.62 115.52 1ney n SER 100 Ca 0.02 0.03 -0.03 0.00 -1.33 0.00 0.00 58.87 57.56 1ney n SER 100 Cb 0.27 -0.05 0.09 0.00 -0.75 0.00 0.00 64.21 63.77 1ney n SER 100 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1ney h TYR 101 N 0.00 1.25 -0.68 0.66 0.99 -1.69 -2.48 116.97 115.02 1ney h TYR 101 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1ney h TYR 101 Cb 0.00 -0.41 0.00 0.00 1.00 0.00 0.00 36.73 37.32 1ney h TYR 101 CO 0.00 0.84 0.00 1.19 -0.00 0.00 0.00 178.16 180.19 1ney n PHE 102 N -4.34 0.91 -3.60 4.88 3.72 -1.05 -4.97 117.46 113.00 1ney n PHE 102 Ca 0.10 -0.45 -0.26 0.00 -0.05 0.00 0.00 57.45 56.79 1ney n PHE 102 Cb 0.07 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.65 1ney n PHE 102 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1ney n HIS 103 N 1.52 -2.37 -2.64 1.38 8.25 -0.90 -4.91 115.22 115.55 1ney n HIS 103 Ca 0.23 0.82 -0.43 0.00 -0.26 0.00 0.00 57.72 58.08 1ney n HIS 103 Cb 0.58 -4.27 -0.02 0.00 1.12 0.00 0.00 29.99 27.40 1ney n HIS 103 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1ney s GLU 104 N -6.30 3.88 0.78 -0.41 2.02 -0.82 -4.99 118.70 112.86 1ney s GLU 104 Ca 0.55 0.79 -0.10 0.00 0.02 0.00 0.00 54.97 56.23 1ney s GLU 104 Cb -0.26 -3.82 0.09 0.00 0.10 0.00 0.00 34.13 30.23 1ney s GLU 104 CO 0.68 -1.13 1.12 0.16 0.02 0.00 0.00 175.26 176.10 1ney s ASP 105 N 2.05 4.49 0.26 -0.19 1.47 -1.26 -4.37 116.67 119.13 1ney s ASP 105 Ca 0.46 0.55 -0.05 0.00 1.18 0.00 0.00 52.55 54.69 1ney s ASP 105 Cb -0.10 -1.06 0.30 0.00 -0.34 0.00 0.00 42.92 41.72 1ney s ASP 105 CO 0.23 -1.86 1.93 0.44 0.68 0.00 0.00 175.17 176.60 1ney h ASP 106 N -0.90 1.12 -0.25 2.11 3.45 -1.96 -1.82 116.42 118.17 1ney h ASP 106 Ca -0.45 -0.03 -0.12 0.00 0.43 0.00 0.00 57.03 56.86 1ney h ASP 106 Cb 1.31 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.79 1ney h ASP 106 CO 0.60 0.80 -0.28 0.50 -1.57 0.00 0.00 179.24 179.29 1ney h LYS 107 N 1.32 0.74 -0.59 3.56 3.64 -1.93 -1.52 116.57 121.79 1ney h LYS 107 Ca 0.36 -0.32 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1ney h LYS 107 Cb -0.13 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.62 1ney h LYS 107 CO -0.08 0.93 0.35 0.35 -2.27 0.00 0.00 179.45 178.73 1ney h PHE 108 N 0.64 0.66 -0.50 1.91 3.57 -1.74 -0.09 116.94 121.38 1ney h PHE 108 Ca 0.08 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 1ney h PHE 108 Cb 0.80 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1ney h PHE 108 CO 0.04 0.37 0.15 0.82 -2.23 0.00 0.00 178.31 177.46 1ney h ILE 109 N 0.69 1.23 -0.49 1.41 1.08 -1.19 -1.38 117.51 118.85 1ney h ILE 109 Ca 0.24 -0.78 0.03 0.00 -0.39 0.00 0.00 64.86 63.96 1ney h ILE 109 Cb 0.04 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 1ney h ILE 109 CO -0.11 0.29 0.29 0.00 -0.69 0.00 0.00 178.15 177.92 1ney h ALA 110 N 1.01 0.63 -0.41 1.87 0.00 -0.78 -1.00 119.26 120.59 1ney h ALA 110 Ca 0.16 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1ney h ALA 110 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ney h ALA 110 CO -0.00 -0.02 -0.11 -0.44 0.00 0.00 0.00 179.25 178.67 1ney h ASP 111 N 0.57 0.81 -0.89 0.00 3.45 -0.87 -1.68 116.42 117.80 1ney h ASP 111 Ca 0.20 -0.37 -0.02 0.00 0.43 0.00 0.00 57.03 57.28 1ney h ASP 111 Cb 0.04 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 38.54 1ney h ASP 111 CO -0.10 0.99 0.49 0.11 -1.57 0.00 0.00 179.24 179.16 1ney h LYS 112 N 0.62 1.25 -0.17 3.56 1.57 -1.02 -1.85 116.57 120.53 1ney h LYS 112 Ca 0.10 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1ney h LYS 112 Cb 0.64 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1ney h LYS 112 CO 0.04 0.91 -0.02 1.15 -0.57 0.00 0.00 179.45 180.96 1ney h THR 113 N 1.25 1.27 -0.51 -0.16 2.02 -0.84 -0.31 112.91 115.65 1ney h THR 113 Ca 0.32 -0.94 0.04 0.00 0.77 0.00 0.00 66.41 66.60 1ney h THR 113 Cb 0.03 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1ney h THR 113 CO -0.05 0.28 0.25 0.50 0.37 0.00 0.00 175.52 176.87 1ney h LYS 114 N 0.04 0.48 -0.12 6.66 3.64 -1.29 -1.84 116.57 124.14 1ney h LYS 114 Ca 0.05 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1ney h LYS 114 Cb 0.44 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1ney h LYS 114 CO 0.01 0.32 0.05 0.35 -2.27 0.00 0.00 179.45 177.91 1ney h PHE 115 N 0.49 0.18 -0.33 1.91 3.57 -1.16 -2.26 116.94 119.33 1ney h PHE 115 Ca 0.22 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1ney h PHE 115 Cb 0.13 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1ney h PHE 115 CO -0.10 0.26 0.15 0.00 -2.23 0.00 0.00 178.31 176.39 1ney h ALA 116 N 0.90 0.40 -0.85 2.41 0.00 -0.85 -2.42 119.26 118.85 1ney h ALA 116 Ca 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ney h ALA 116 Cb 0.16 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1ney h ALA 116 CO -0.00 -0.23 0.52 -0.07 0.00 0.00 0.00 179.25 179.47 1ney h LEU 117 N 0.32 1.01 -1.27 0.00 3.38 -1.29 -1.81 115.31 115.66 1ney h LEU 117 Ca 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ney h LEU 117 Cb 0.07 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1ney h LEU 117 CO -0.11 0.77 0.00 1.23 0.09 0.00 0.00 178.44 180.42 1ney h GLY 118 N 1.18 0.00 -1.11 0.83 0.00 -0.93 -1.96 103.07 101.07 1ney h GLY 118 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 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 -2.79 1.91 -1.59 4.80 1.13 -0.72 -4.96 117.38 115.16 1ney n GLN 119 Ca 0.01 -1.36 -0.00 0.00 -1.94 0.00 0.00 57.00 53.71 1ney n GLN 119 Cb 0.27 -1.44 -0.00 0.00 0.11 0.00 0.00 30.24 29.17 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 1.23 0.38 3.34 1.08 0.00 -0.74 -4.97 105.19 105.51 1ney n GLY 120 Ca 0.17 -0.96 -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 -2.02 2.78 0.68 1.61 1.01 -0.97 -5.02 120.40 118.48 1ney s VAL 121 Ca 0.00 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 1ney s VAL 121 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.25 1ney s VAL 121 CO 0.00 0.54 1.07 -0.83 0.00 0.00 0.00 175.10 175.88 1ney s GLY 122 N 0.21 1.85 -0.09 4.51 0.00 -0.37 -3.44 107.32 110.00 1ney s GLY 122 Ca -0.10 0.25 0.03 0.00 0.00 0.00 0.00 44.72 44.91 1ney s GLY 122 CO 0.06 0.58 -0.19 0.14 0.00 0.00 0.00 173.10 173.69 1ney s VAL 123 N -2.78 1.66 -0.62 1.40 1.01 -0.63 -0.89 120.40 119.55 1ney s VAL 123 Ca 0.61 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.62 1ney s VAL 123 Cb -0.16 -1.46 0.11 0.00 0.00 0.00 0.00 36.38 34.87 1ney s VAL 123 CO 0.49 0.47 0.72 -0.63 0.00 0.00 0.00 175.10 176.14 1ney s ILE 124 N 0.49 4.88 -0.31 2.22 1.01 -0.40 -0.84 121.20 128.24 1ney s ILE 124 Ca -0.17 -1.13 -0.17 0.00 0.00 0.00 0.00 60.65 59.18 1ney s ILE 124 Cb -0.17 -4.50 -0.02 0.00 0.01 0.00 0.00 42.46 37.79 1ney s ILE 124 CO 0.07 -1.13 0.49 -0.22 0.00 0.00 0.00 174.94 174.14 1ney s LEU 125 N 2.50 4.20 -0.13 2.97 2.96 0.05 -1.14 118.68 130.09 1ney s LEU 125 Ca 0.12 0.19 -0.07 0.00 -0.22 0.00 0.00 54.13 54.15 1ney s LEU 125 Cb -0.23 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.84 1ney s LEU 125 CO 0.04 -0.37 0.14 0.00 -1.32 0.00 0.00 176.35 174.84 1ney s ILE 127 N -0.78 0.32 0.00 0.00 -4.36 -0.49 -4.61 121.20 111.28 1ney s ILE 127 Ca 0.14 -1.69 0.00 0.00 -0.26 0.00 0.00 60.65 58.83 1ney s ILE 127 Cb -0.12 -1.36 0.00 0.00 1.25 0.00 0.00 42.46 42.23 1ney s ILE 127 CO 0.03 -0.88 0.00 0.61 0.24 0.00 0.00 174.94 174.94 1ney n GLY 128 N 0.32 2.93 3.92 6.27 0.00 -1.26 -1.12 105.19 116.25 1ney n GLY 128 Ca -0.15 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 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 3.32 0.73 1.61 1.03 -1.26 -4.71 118.70 117.42 1ney s GLU 129 Ca 0.00 -0.71 -0.09 0.00 0.03 0.00 0.00 54.97 54.19 1ney s GLU 129 Cb 0.00 -2.87 0.06 0.00 -0.80 0.00 0.00 34.13 30.52 1ney s GLU 129 CO 0.00 0.48 1.08 0.95 -1.33 0.00 0.00 175.26 176.44 1ney s THR 130 N -1.83 2.50 0.17 1.83 -4.23 -1.26 -0.67 115.64 112.15 1ney s THR 130 Ca 0.34 -0.03 -0.14 0.00 -1.18 0.00 0.00 61.69 60.68 1ney s THR 130 Cb -0.10 -3.12 0.07 0.00 1.34 0.00 0.00 72.50 70.68 1ney s THR 130 CO 0.28 -0.14 1.82 0.25 -0.54 0.00 0.00 174.62 176.28 1ney h LEU 131 N -0.73 0.50 -0.88 4.79 5.85 -1.98 -0.15 115.31 122.70 1ney h LEU 131 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1ney h LEU 131 Cb 1.31 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 1ney h LEU 131 CO 0.63 0.36 0.57 -0.33 -0.34 0.00 0.00 178.44 179.32 1ney h GLU 132 N 0.61 1.18 -0.20 1.25 5.08 -1.99 -1.31 114.58 119.20 1ney h GLU 132 Ca 0.20 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1ney h GLU 132 Cb 0.01 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1ney h GLU 132 CO -0.09 0.80 0.02 0.93 -1.00 0.00 0.00 179.01 179.67 1ney h GLU 133 N 1.21 0.34 -0.12 2.33 5.08 -1.86 -1.78 114.58 119.79 1ney h GLU 133 Ca 0.32 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1ney h GLU 133 Cb -0.11 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1ney h GLU 133 CO -0.07 0.52 0.07 -0.22 -1.00 0.00 0.00 179.01 178.31 1ney h LYS 134 N 0.12 0.16 -0.13 2.33 3.64 -0.76 -0.89 116.57 121.05 1ney h LYS 134 Ca 0.06 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1ney h LYS 134 Cb 0.35 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1ney h LYS 134 CO 0.01 0.16 -0.10 0.87 -2.27 0.00 0.00 179.45 178.12 1ney h LYS 135 N 0.12 0.20 -0.05 1.90 1.57 -1.01 -1.98 116.57 117.32 1ney h LYS 135 Ca 0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ney h LYS 135 Cb 0.04 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1ney h LYS 135 CO -0.01 0.32 0.00 0.00 -0.57 0.00 0.00 179.45 179.19 1ney n ALA 136 N -2.49 2.58 -0.94 3.86 0.00 -0.69 -4.92 120.51 117.91 1ney n ALA 136 Ca -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1ney n ALA 136 Cb 0.24 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 0.87 0.43 1.11 0.00 0.00 -0.75 -4.97 105.19 101.89 1ney n GLY 137 Ca 0.14 -0.91 0.11 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.94 2.47 -0.07 1.61 5.02 -0.36 -4.70 118.16 119.20 1ney n LYS 138 Ca 0.00 -2.28 -0.10 0.00 -2.02 0.00 0.00 58.31 53.91 1ney n LYS 138 Cb 0.00 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.48 1ney n LYS 138 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1ney h THR 139 N 4.15 0.20 -0.19 -0.18 2.02 -1.85 -0.07 112.91 116.98 1ney h THR 139 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 1ney h THR 139 Cb 0.94 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1ney h THR 139 CO 0.00 0.00 -0.46 -0.07 0.37 0.00 0.00 175.52 175.36 1ney h LEU 140 N -0.35 0.52 -0.96 2.58 3.38 -1.97 -2.05 115.31 116.46 1ney h LEU 140 Ca 0.13 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1ney h LEU 140 Cb 0.57 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1ney h LEU 140 CO -0.47 0.91 0.63 0.44 0.09 0.00 0.00 178.44 180.03 1ney h ASP 141 N 0.39 1.11 0.14 -0.43 3.32 -1.74 -0.79 116.42 118.42 1ney h ASP 141 Ca 0.03 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1ney h ASP 141 Cb 0.96 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.23 1ney h ASP 141 CO 0.08 0.82 -0.07 0.58 -1.72 0.00 0.00 179.24 178.93 1ney h VAL 142 N 1.31 0.99 -0.17 -1.35 2.07 -0.70 -1.21 116.25 117.19 1ney h VAL 142 Ca 0.35 -0.55 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 1ney h VAL 142 Cb -0.13 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1ney h VAL 142 CO -0.07 0.13 -0.34 -0.37 0.02 0.00 0.00 177.57 176.93 1ney h VAL 143 N -0.45 1.29 -0.34 2.57 -1.51 -1.27 -1.37 116.25 115.16 1ney h VAL 143 Ca -0.02 -1.40 -0.10 0.00 -1.23 0.00 0.00 66.70 63.95 1ney h VAL 143 Cb 0.36 1.54 -0.02 0.00 -2.13 0.00 0.00 31.29 31.04 1ney h VAL 143 CO 0.03 0.43 -0.19 -0.33 -1.23 0.00 0.00 177.57 176.28 1ney h GLU 144 N 0.30 0.63 -0.22 5.19 5.08 -1.14 -0.27 114.58 124.14 1ney h GLU 144 Ca 0.04 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1ney h GLU 144 Cb 0.75 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1ney h GLU 144 CO 0.06 0.79 0.09 -0.09 -1.00 0.00 0.00 179.01 178.86 1ney h ARG 145 N 0.56 0.33 -0.60 2.33 2.43 -0.66 0.18 114.38 118.96 1ney h ARG 145 Ca 0.09 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1ney h ARG 145 Cb 0.65 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 1ney h ARG 145 CO 0.05 0.37 0.35 1.96 -1.51 0.00 0.00 179.97 181.19 1ney h GLN 146 N 0.22 0.82 -0.28 0.20 4.20 -1.05 -2.37 115.11 116.85 1ney h GLN 146 Ca 0.08 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 1ney h GLN 146 Cb 0.16 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1ney h GLN 146 CO -0.01 0.61 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.49 1ney h LEU 147 N 0.81 0.66 -1.35 1.46 3.38 -0.92 -3.15 115.31 116.21 1ney h LEU 147 Ca 0.21 -0.44 0.09 0.00 0.09 0.00 0.00 57.88 57.83 1ney h LEU 147 Cb 0.01 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1ney h LEU 147 CO -0.04 0.96 0.52 0.78 0.09 0.00 0.00 178.44 180.75 1ney h ASN 148 N 0.36 0.66 -0.47 -0.43 -0.26 -0.42 0.17 115.58 115.20 1ney h ASN 148 Ca 0.05 0.02 0.02 0.00 -0.56 0.00 0.00 56.30 55.83 1ney h ASN 148 Cb 0.75 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.86 1ney h ASN 148 CO 0.05 0.40 0.29 0.00 -1.06 0.00 0.00 177.43 177.11 1ney h ALA 149 N 1.60 0.60 -0.33 -0.83 0.00 -1.39 -1.68 119.26 117.22 1ney h ALA 149 Ca 0.36 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1ney h ALA 149 Cb 0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ney h ALA 149 CO -0.14 -0.01 0.14 0.28 0.00 0.00 0.00 179.25 179.52 1ney h VAL 150 N 0.58 1.18 0.00 0.00 2.07 -1.28 -3.04 116.25 115.76 1ney h VAL 150 Ca 0.18 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1ney h VAL 150 Cb -0.01 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1ney h VAL 150 CO -0.07 0.19 -0.05 -0.07 0.02 0.00 0.00 177.57 177.59 1ney h LEU 151 N 0.39 0.00 -1.65 2.57 3.38 -0.72 0.17 115.31 119.46 1ney h LEU 151 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1ney h LEU 151 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1ney h LEU 151 CO -0.01 0.05 -0.11 -0.08 0.09 0.00 0.00 178.44 178.38 1ney h GLU 152 N 0.00 0.08 0.00 1.13 4.81 -1.19 -3.26 114.58 116.16 1ney h GLU 152 Ca -0.00 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.07 1ney h GLU 152 Cb 0.16 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1ney h GLU 152 CO 0.01 0.20 -1.92 0.39 -0.73 0.00 0.00 179.01 176.96 1ney n GLU 153 N -4.36 0.99 -4.04 1.92 -0.58 -0.18 -4.96 120.64 109.42 1ney n GLU 153 Ca -0.02 -0.08 -0.31 0.00 -0.42 0.00 0.00 57.16 56.33 1ney n GLU 153 Cb 0.21 -1.40 -0.16 0.00 -0.57 0.00 0.00 31.44 29.52 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 -2.77 1.75 -1.34 2.62 1.01 0.43 -4.88 120.40 117.22 1ney s VAL 154 Ca -0.07 -0.86 0.17 0.00 0.00 0.00 0.00 61.98 61.21 1ney s VAL 154 Cb 0.08 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 1ney s VAL 154 CO 0.67 0.38 0.83 0.29 0.00 0.00 0.00 175.10 177.27 1ney n LYS 155 N 4.69 1.66 -3.65 2.72 4.76 -1.26 -4.35 118.16 122.73 1ney n LYS 155 Ca -0.17 -0.63 -0.21 0.00 -2.87 0.00 0.00 58.31 54.43 1ney n LYS 155 Cb 0.49 -1.28 -0.17 0.00 -1.84 0.00 0.00 35.03 32.22 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 -2.09 1.35 -0.22 4.39 3.68 -1.26 -4.93 116.67 117.58 1ney s ASP 156 Ca 0.12 -0.04 0.15 0.00 2.13 0.00 0.00 52.55 54.91 1ney s ASP 156 Cb 0.13 -0.09 0.77 0.00 -1.45 0.00 0.00 42.92 42.28 1ney s ASP 156 CO 0.48 -0.27 1.69 0.49 0.13 0.00 0.00 175.17 177.69 1ney n PHE 157 N 5.30 1.86 -0.33 -5.34 3.01 -1.26 -4.66 117.46 116.05 1ney n PHE 157 Ca -0.04 -0.75 0.09 0.00 1.01 0.00 0.00 57.45 57.75 1ney n PHE 157 Cb 0.50 -0.47 0.29 0.00 -0.01 0.00 0.00 39.48 39.78 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 3.61 0.90 -0.65 4.37 2.02 -1.96 -2.11 112.91 119.09 1ney h THR 158 Ca 0.00 -0.31 -0.34 0.00 0.77 0.00 0.00 66.41 66.53 1ney h THR 158 Cb 1.87 -0.08 -0.20 0.00 -1.74 0.00 0.00 68.15 68.00 1ney h THR 158 CO 0.44 0.16 0.24 -3.20 0.37 0.00 0.00 175.52 173.53 1ney n ASN 159 N -4.59 3.09 -4.49 4.18 4.05 -1.26 -4.95 115.26 111.29 1ney n ASN 159 Ca 0.18 -3.72 -0.31 0.00 0.45 0.00 0.00 54.58 51.18 1ney n ASN 159 Cb 0.38 -0.73 -0.12 0.00 1.23 0.00 0.00 39.78 40.54 1ney n ASN 159 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1ney s VAL 160 N -3.31 2.99 -0.07 3.44 1.01 -0.80 -1.60 120.40 122.06 1ney s VAL 160 Ca 0.50 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1ney s VAL 160 Cb 0.44 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.57 1ney s VAL 160 CO 0.04 0.38 -0.16 -0.69 0.00 0.00 0.00 175.10 174.67 1ney s VAL 161 N -0.92 1.44 -0.10 2.92 1.01 -0.02 -4.60 120.40 120.15 1ney s VAL 161 Ca 0.15 -0.67 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 1ney s VAL 161 Cb -0.11 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 1ney s VAL 161 CO 0.05 0.42 0.38 -0.69 0.00 0.00 0.00 175.10 175.26 1ney s VAL 162 N 0.49 5.19 -0.28 2.92 1.01 -0.49 -0.77 120.40 128.48 1ney s VAL 162 Ca -0.15 0.75 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 1ney s VAL 162 Cb -0.16 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.55 1ney s VAL 162 CO 0.05 0.44 -0.01 0.00 0.00 0.00 0.00 175.10 175.58 1ney s ALA 163 N -0.03 2.81 -0.44 5.51 0.00 0.44 -0.14 121.76 129.92 1ney s ALA 163 Ca 0.22 -1.57 -0.23 0.00 0.00 0.00 0.00 51.96 50.38 1ney s ALA 163 Cb -0.15 -1.88 0.02 0.00 0.00 0.00 0.00 23.12 21.12 1ney s ALA 163 CO 0.09 -1.01 0.78 -0.47 0.00 0.00 0.00 175.76 175.16 1ney s TYR 164 N 1.34 3.00 -0.32 0.00 5.04 0.08 -1.40 117.35 125.08 1ney s TYR 164 Ca -0.01 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.82 1ney s TYR 164 Cb -0.18 -3.63 0.10 0.00 0.35 0.00 0.00 41.96 38.60 1ney s TYR 164 CO -0.02 -0.96 0.09 -1.21 -1.34 0.00 0.00 175.55 172.11 1ney s GLU 165 N 3.27 0.90 0.23 4.97 2.02 -0.28 -1.13 118.70 128.68 1ney s GLU 165 Ca 0.30 -1.28 -0.32 0.00 0.02 0.00 0.00 54.97 53.69 1ney s GLU 165 Cb -0.12 -2.27 -0.12 0.00 0.10 0.00 0.00 34.13 31.72 1ney s GLU 165 CO 0.22 -0.98 1.65 -2.30 0.02 0.00 0.00 175.26 173.87 1ney n PRO 166 N 4.68 2.64 -0.01 0.39 -0.02 -1.25 -4.23 135.00 137.20 1ney n PRO 166 Ca -0.00 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1ney n PRO 166 Cb 0.42 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.14 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 3.19 0.07 0.00 -1.45 0.31 0.15 -3.21 118.33 117.39 1ney n VAL 167 Ca 0.13 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1ney n VAL 167 Cb 0.35 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 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 1.51 0.00 -2.56 3.52 0.00 -1.26 -4.87 120.51 116.86 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 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.45 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 4.21 0.00 0.00 1.01 -1.20 -2.00 121.20 123.23 1ney s ILE 170 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 60.65 61.93 1ney s ILE 170 Cb 0.00 -4.49 0.00 0.00 0.01 0.00 0.00 42.46 37.98 1ney s ILE 170 CO 0.00 -0.85 0.00 0.61 0.00 0.00 0.00 174.94 174.70 1ney n GLY 171 N 4.67 0.84 0.01 6.18 0.00 -1.26 -4.87 105.19 110.75 1ney n GLY 171 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.01 0.04 -0.38 2.61 -2.24 -1.25 -4.98 114.28 106.08 1ney n THR 172 Ca 0.00 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1ney n THR 172 Cb 0.00 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 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 1.34 1.89 3.22 3.38 0.00 -1.26 -4.99 105.19 108.76 1ney n GLY 173 Ca -0.01 0.00 -0.44 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 5.83 -4.84 0.99 4.77 -1.26 -5.02 117.00 117.47 1ney n LEU 174 Ca 0.00 -4.73 -0.32 0.00 -0.03 0.00 0.00 56.01 50.92 1ney n LEU 174 Cb 0.00 -1.51 -0.05 0.00 -2.33 0.00 0.00 43.42 39.53 1ney n LEU 174 CO 0.00 1.16 0.63 0.00 -1.33 0.00 0.00 177.39 177.86 1ney s ALA 175 N 0.05 3.09 0.66 -1.18 0.00 -1.26 -4.00 121.76 119.13 1ney s ALA 175 Ca 0.38 0.24 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 1ney s ALA 175 Cb 0.00 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 1ney s ALA 175 CO 0.00 -0.03 1.21 0.00 0.00 0.00 0.00 175.76 176.95 1ney n ALA 176 N -1.09 0.82 -1.72 0.00 0.00 -1.26 -4.99 120.51 112.27 1ney n ALA 176 Ca 0.06 -0.04 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 1ney n ALA 176 Cb 0.54 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1ney n ALA 176 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ney s THR 177 N -1.49 3.41 0.33 0.00 -4.23 -1.26 -4.87 115.64 107.53 1ney s THR 177 Ca 0.81 0.81 0.03 0.00 -1.18 0.00 0.00 61.69 62.16 1ney s THR 177 Cb -0.38 -3.31 0.28 0.00 1.34 0.00 0.00 72.50 70.44 1ney s THR 177 CO 0.43 -0.25 1.94 -0.65 -0.54 0.00 0.00 174.62 175.54 1ney h PRO 178 N 1.00 0.88 -0.53 3.99 0.11 -1.94 -0.74 132.00 134.77 1ney h PRO 178 Ca -0.49 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.48 1ney h PRO 178 Cb 1.24 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1ney h PRO 178 CO 0.57 0.58 0.00 0.93 -0.21 0.00 0.00 178.00 179.87 1ney h GLU 179 N 0.90 0.93 -0.37 1.05 3.07 -1.92 -0.80 114.58 117.45 1ney h GLU 179 Ca 0.35 -0.30 -0.12 0.00 -0.50 0.00 0.00 59.36 58.79 1ney h GLU 179 Cb 0.21 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1ney h GLU 179 CO -0.12 0.95 -0.24 -0.44 -1.40 0.00 0.00 179.01 177.75 1ney h ASP 180 N 0.80 0.85 -0.10 1.42 3.45 -1.82 -1.79 116.42 119.23 1ney h ASP 180 Ca 0.15 -0.43 0.02 0.00 0.43 0.00 0.00 57.03 57.20 1ney h ASP 180 Cb 0.53 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.04 1ney h ASP 180 CO 0.03 1.10 -0.04 0.00 -1.57 0.00 0.00 179.24 178.76 1ney h ALA 181 N 0.78 0.06 -0.45 3.45 0.00 -1.10 -2.29 119.26 119.71 1ney h ALA 181 Ca 0.07 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1ney h ALA 181 Cb 0.81 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1ney h ALA 181 CO 0.07 -0.50 0.10 0.37 0.00 0.00 0.00 179.25 179.29 1ney h GLN 182 N -0.02 0.23 -0.56 0.00 5.75 -1.03 0.30 115.11 119.77 1ney h GLN 182 Ca 0.05 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1ney h GLN 182 Cb 0.10 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 1ney h GLN 182 CO -0.12 0.15 0.37 -0.44 -2.65 0.00 0.00 178.83 176.14 1ney h ASP 183 N 0.23 0.65 -0.24 -0.69 3.32 -1.14 -0.27 116.42 118.29 1ney h ASP 183 Ca 0.22 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1ney h ASP 183 Cb 0.27 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1ney h ASP 183 CO -0.28 0.48 0.05 0.40 -1.72 0.00 0.00 179.24 178.17 1ney h ILE 184 N 0.76 1.22 -0.83 0.35 2.04 -0.94 -2.01 117.51 118.10 1ney h ILE 184 Ca 0.20 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 1ney h ILE 184 Cb -0.07 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1ney h ILE 184 CO -0.04 0.23 0.45 0.45 0.00 0.00 0.00 178.15 179.24 1ney h HIS 185 N 0.21 1.13 -0.78 1.37 3.86 -0.77 -0.00 115.15 120.16 1ney h HIS 185 Ca 0.07 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1ney h HIS 185 Cb 0.30 -0.36 -0.04 0.00 1.06 0.00 0.00 27.41 28.37 1ney h HIS 185 CO 0.02 0.79 0.37 0.00 0.86 0.00 0.00 177.93 179.97 1ney h ALA 186 N 1.24 1.01 -0.32 2.45 0.00 -0.92 -0.55 119.26 122.16 1ney h ALA 186 Ca 0.29 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1ney h ALA 186 Cb 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1ney h ALA 186 CO -0.05 0.58 0.09 1.03 0.00 0.00 0.00 179.25 180.91 1ney h SER 187 N 1.11 0.48 -0.63 0.00 0.87 -0.95 -2.27 113.55 112.15 1ney h SER 187 Ca 0.27 -0.21 0.05 0.00 -1.23 0.00 0.00 61.79 60.66 1ney h SER 187 Cb 0.13 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 1ney h SER 187 CO -0.03 0.56 0.36 0.40 -0.53 0.00 0.00 176.83 177.59 1ney h ILE 188 N 0.36 1.00 -0.54 2.23 2.04 -0.76 -1.88 117.51 119.96 1ney h ILE 188 Ca 0.10 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 1ney h ILE 188 Cb 0.26 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1ney h ILE 188 CO -0.00 0.12 0.14 -0.09 0.00 0.00 0.00 178.15 178.32 1ney h ARG 189 N 0.68 0.86 -0.76 2.37 2.43 -0.95 0.33 114.38 119.34 1ney h ARG 189 Ca 0.27 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1ney h ARG 189 Cb 0.12 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1ney h ARG 189 CO -0.15 0.80 0.27 0.87 -1.51 0.00 0.00 179.97 180.25 1ney h LYS 190 N 0.76 1.15 -0.22 0.20 1.57 -1.27 0.52 116.57 119.27 1ney h LYS 190 Ca 0.17 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1ney h LYS 190 Cb 0.32 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1ney h LYS 190 CO -0.00 0.95 0.08 0.35 -0.57 0.00 0.00 179.45 180.26 1ney h PHE 191 N 1.11 0.14 -0.02 -1.35 3.57 -1.00 -2.71 116.94 116.68 1ney h PHE 191 Ca 0.25 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.66 1ney h PHE 191 Cb 0.26 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1ney h PHE 191 CO 0.02 0.07 -0.46 -0.07 -2.23 0.00 0.00 178.31 175.64 1ney h LEU 192 N 0.18 0.06 -1.37 0.59 3.38 -0.62 -2.48 115.31 115.06 1ney h LEU 192 Ca 0.10 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1ney h LEU 192 Cb 0.06 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1ney h LEU 192 CO -0.10 0.51 0.47 0.00 0.09 0.00 0.00 178.44 179.41 1ney h ALA 193 N 1.50 1.66 0.00 1.53 0.00 -0.59 0.10 119.26 123.46 1ney h ALA 193 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ney h ALA 193 Cb 0.83 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ney h ALA 193 CO 0.06 0.25 -0.05 0.66 0.00 0.00 0.00 179.25 180.17 1ney h SER 194 N 0.79 0.00 0.00 0.00 4.64 -1.20 -1.29 113.55 116.49 1ney h SER 194 Ca 0.30 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.27 1ney h SER 194 Cb 0.17 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.19 1ney h SER 194 CO -0.09 0.05 -2.33 0.29 -0.87 0.00 0.00 176.83 173.89 1ney n LYS 195 N -3.18 0.66 -0.00 4.77 4.76 -0.66 -4.72 118.16 119.79 1ney n LYS 195 Ca 0.00 0.11 0.03 0.00 -2.87 0.00 0.00 58.31 55.58 1ney n LYS 195 Cb 0.32 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 32.01 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 -3.11 0.29 0.00 -0.35 4.77 0.27 -5.09 117.00 113.78 1ney n LEU 196 Ca -0.40 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 1ney n LEU 196 Cb 0.97 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 1ney n LEU 196 CO 0.26 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1ney n GLY 197 N 1.15 0.58 0.32 -0.72 0.00 -0.49 -4.41 105.19 101.63 1ney n GLY 197 Ca 0.01 -1.75 -0.06 0.00 0.00 0.00 0.00 46.02 44.22 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 1.00 -0.01 1.61 3.32 -1.92 -2.08 116.42 118.34 1ney h ASP 198 Ca 0.00 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 1ney h ASP 198 Cb 0.00 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 1ney h ASP 198 CO 0.00 0.96 0.00 0.50 -1.72 0.00 0.00 179.24 178.98 1ney h LYS 199 N 1.01 0.02 -0.93 3.56 3.64 -1.94 -1.99 116.57 119.93 1ney h LYS 199 Ca 0.21 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1ney h LYS 199 Cb 0.36 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 1ney h LYS 199 CO 0.00 0.29 0.57 0.00 -2.27 0.00 0.00 179.45 178.04 1ney h ALA 200 N 0.73 1.19 -0.79 5.00 0.00 -1.74 -1.84 119.26 121.81 1ney h ALA 200 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1ney h ALA 200 Cb 0.28 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1ney h ALA 200 CO 0.00 0.64 0.43 0.00 0.00 0.00 0.00 179.25 180.32 1ney h ALA 201 N 1.31 1.27 0.00 0.00 0.00 -1.29 -1.23 119.26 119.31 1ney h ALA 201 Ca 0.34 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ney h ALA 201 Cb -0.07 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 1ney h ALA 201 CO -0.06 0.59 -0.01 0.66 0.00 0.00 0.00 179.25 180.42 1ney h SER 202 N 1.11 0.00 0.54 0.00 4.64 -0.59 -3.07 113.55 116.17 1ney h SER 202 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1ney h SER 202 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1ney h SER 202 CO -0.05 0.01 -1.33 -0.62 -0.87 0.00 0.00 176.83 173.97 1ney n GLU 203 N -3.11 0.55 -2.37 4.77 1.02 -0.70 -4.67 120.64 116.12 1ney n GLU 203 Ca 0.01 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.71 1ney n GLU 203 Cb 0.33 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 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 -4.74 4.27 -0.01 -4.62 2.96 -0.55 -4.89 118.68 111.10 1ney s LEU 204 Ca -0.02 1.88 -0.30 0.00 -0.22 0.00 0.00 54.13 55.47 1ney s LEU 204 Cb 0.12 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 1ney s LEU 204 CO 0.83 -0.67 1.12 -0.13 -1.32 0.00 0.00 176.35 176.18 1ney s ARG 205 N 2.57 4.44 -0.27 1.98 3.00 -1.26 -5.00 118.95 124.41 1ney s ARG 205 Ca 0.58 1.60 0.03 0.00 0.00 0.00 0.00 55.73 57.94 1ney s ARG 205 Cb -0.26 -3.46 0.06 0.00 0.00 0.00 0.00 34.95 31.29 1ney s ARG 205 CO 0.22 -0.26 -0.08 0.42 0.00 0.00 0.00 175.30 175.60 1ney s ILE 206 N 1.47 2.28 0.27 1.52 1.01 -1.26 -1.39 121.20 125.10 1ney s ILE 206 Ca 0.55 -1.69 -0.10 0.00 0.00 0.00 0.00 60.65 59.42 1ney s ILE 206 Cb -0.24 -2.38 -0.07 0.00 0.01 0.00 0.00 42.46 39.78 1ney s ILE 206 CO 0.26 -0.10 0.59 -0.76 0.00 0.00 0.00 174.94 174.93 1ney s LEU 207 N 1.10 4.11 -0.07 2.97 1.43 0.80 -1.08 118.68 127.94 1ney s LEU 207 Ca -0.06 0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 53.88 1ney s LEU 207 Cb -0.20 -3.74 -0.05 0.00 0.03 0.00 0.00 46.19 42.23 1ney s LEU 207 CO -0.05 -0.14 0.28 -0.47 0.23 0.00 0.00 176.35 176.20 1ney s TYR 208 N -1.93 3.65 0.06 0.29 5.04 -0.47 -0.74 117.35 123.23 1ney s TYR 208 Ca 0.48 0.75 -0.02 0.00 -2.44 0.00 0.00 57.07 55.84 1ney s TYR 208 Cb -0.11 -2.13 -0.03 0.00 0.35 0.00 0.00 41.96 40.03 1ney s TYR 208 CO 0.23 0.65 0.01 0.20 -1.34 0.00 0.00 175.55 175.30 1ney s GLY 209 N -0.93 0.40 0.00 8.97 0.00 -0.28 -1.53 107.32 113.95 1ney s GLY 209 Ca 0.19 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.82 1ney s GLY 209 CO 0.08 -1.22 0.00 0.61 0.00 0.00 0.00 173.10 172.57 1ney n GLY 210 N 0.10 1.54 3.12 0.20 0.00 -1.26 -3.77 105.19 105.12 1ney n GLY 210 Ca -0.14 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.09 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 -6.13 -4.71 1.61 7.64 -0.85 -4.37 113.62 106.81 1ney n SER 211 Ca 0.00 -0.34 -0.42 0.00 1.01 0.00 0.00 58.87 59.12 1ney n SER 211 Cb 0.00 -4.90 -0.03 0.00 -1.01 0.00 0.00 64.21 58.27 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 -3.20 3.24 0.35 -0.43 0.00 -1.26 -4.74 121.76 115.71 1ney s ALA 212 Ca 0.36 0.63 0.04 0.00 0.00 0.00 0.00 51.96 52.99 1ney s ALA 212 Cb -0.16 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 1ney s ALA 212 CO 0.45 -0.30 0.38 0.54 0.00 0.00 0.00 175.76 176.82 1ney s ASN 213 N 1.03 1.45 0.55 0.00 2.20 -1.26 -4.63 114.94 114.29 1ney s ASN 213 Ca 0.54 -1.68 0.28 0.00 -0.94 0.00 0.00 52.86 51.06 1ney s ASN 213 Cb -0.24 0.62 1.59 0.00 -2.00 0.00 0.00 41.25 41.23 1ney s ASN 213 CO 0.28 -1.19 2.15 1.23 -2.94 0.00 0.00 177.10 176.63 1ney h GLY 214 N 2.09 0.00 0.70 0.45 0.00 -1.94 -1.76 103.07 102.61 1ney h GLY 214 Ca -0.26 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 46.75 1ney h GLY 214 CO 0.37 0.00 -1.63 0.23 0.00 0.00 0.00 176.54 175.51 1ney h SER 215 N 0.00 0.48 0.68 0.19 0.87 -1.96 -3.40 113.55 110.41 1ney h SER 215 Ca -0.00 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.66 1ney h SER 215 Cb 0.18 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1ney h SER 215 CO 0.01 1.72 -0.60 -0.46 -0.53 0.00 0.00 176.83 176.97 1ney n ASN 216 N -3.74 0.59 -0.37 6.23 0.23 -1.18 -4.23 115.26 112.79 1ney n ASN 216 Ca -0.26 -0.04 -0.00 0.00 -0.53 0.00 0.00 54.58 53.74 1ney n ASN 216 Cb 0.99 0.24 0.14 0.00 -2.08 0.00 0.00 39.78 39.06 1ney n ASN 216 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ney h ALA 217 N 2.72 1.31 0.00 -2.53 0.00 -1.53 -0.15 119.26 119.08 1ney h ALA 217 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ney h ALA 217 Cb 0.64 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ney h ALA 217 CO 0.00 0.55 -0.03 -0.24 0.00 0.00 0.00 179.25 179.53 1ney h VAL 218 N 1.26 0.48 0.00 0.00 3.04 -1.82 -1.90 116.25 117.31 1ney h VAL 218 Ca 0.39 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.96 1ney h VAL 218 Cb -0.01 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.35 1ney h VAL 218 CO -0.12 0.03 0.00 0.35 -1.01 0.00 0.00 177.57 176.82 1ney n THR 219 N -3.72 0.97 0.57 3.17 -2.24 -0.07 -1.91 114.28 111.04 1ney n THR 219 Ca -0.03 0.27 0.12 0.00 -2.27 0.00 0.00 64.05 62.15 1ney n THR 219 Cb 0.12 -1.13 0.19 0.00 -2.10 0.00 0.00 70.33 67.40 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 -1.89 0.33 0.00 4.78 3.72 -0.71 -4.69 117.46 119.00 1ney n PHE 220 Ca 0.02 -0.16 0.09 0.00 -0.05 0.00 0.00 57.45 57.35 1ney n PHE 220 Cb 0.18 0.00 0.51 0.00 -0.94 0.00 0.00 39.48 39.23 1ney n PHE 220 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1ney h LYS 221 N 4.49 0.36 -0.48 -1.08 3.64 -1.50 -2.40 116.57 119.60 1ney h LYS 221 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ney h LYS 221 Cb 0.98 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1ney h LYS 221 CO 0.00 0.24 0.00 -0.25 -2.27 0.00 0.00 179.45 177.17 1ney n ASP 222 N -4.48 4.48 -4.39 4.20 8.00 -1.26 -4.88 116.55 118.22 1ney n ASP 222 Ca 0.06 -2.65 -0.44 0.00 0.71 0.00 0.00 54.79 52.46 1ney n ASP 222 Cb 0.24 -0.54 -0.05 0.00 -0.02 0.00 0.00 41.12 40.74 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 -2.20 3.06 0.52 -1.24 -0.14 -0.90 -4.94 119.74 113.90 1ney s LYS 223 Ca 0.46 -1.24 0.28 0.00 -1.36 0.00 0.00 55.97 54.11 1ney s LYS 223 Cb 0.32 -4.23 1.44 0.00 -1.68 0.00 0.00 37.83 33.69 1ney s LYS 223 CO 0.17 -1.45 2.06 0.00 -0.76 0.00 0.00 175.35 175.36 1ney h ALA 224 N 9.13 1.22 -0.32 5.17 0.00 -1.89 -2.11 119.26 130.45 1ney h ALA 224 Ca -0.29 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1ney h ALA 224 Cb 1.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ney h ALA 224 CO 1.06 0.14 0.00 -0.25 0.00 0.00 0.00 179.25 180.21 1ney n ASP 225 N -3.54 3.07 -4.48 0.00 9.92 -1.26 -4.77 116.55 115.49 1ney n ASP 225 Ca -0.01 -1.94 -0.41 0.00 -0.53 0.00 0.00 54.79 51.89 1ney n ASP 225 Cb 0.25 -0.20 -0.10 0.00 -0.64 0.00 0.00 41.12 40.43 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 -1.60 5.15 -1.18 2.53 1.01 -0.79 -4.66 120.40 120.87 1ney s VAL 226 Ca 0.37 -0.49 0.16 0.00 0.00 0.00 0.00 61.98 62.01 1ney s VAL 226 Cb 0.22 -3.77 0.49 0.00 0.00 0.00 0.00 36.38 33.32 1ney s VAL 226 CO 0.31 -0.16 1.41 0.47 0.00 0.00 0.00 175.10 177.13 1ney n ASP 227 N 5.11 3.62 0.00 3.32 10.43 -0.24 -4.87 116.55 133.92 1ney n ASP 227 Ca -0.12 -2.17 0.00 0.00 2.57 0.00 0.00 54.79 55.07 1ney n ASP 227 Cb 0.48 -0.39 0.00 0.00 1.84 0.00 0.00 41.12 43.05 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 0.84 0.40 2.99 0.44 0.00 -1.26 -1.68 105.19 106.92 1ney n GLY 228 Ca 0.18 -1.62 -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 -2.88 0.34 -0.31 1.61 0.08 -0.63 -1.37 117.98 114.83 1ney s PHE 229 Ca 0.00 -0.48 -0.06 0.00 0.12 0.00 0.00 56.93 56.50 1ney s PHE 229 Cb 0.00 -0.23 0.02 0.00 -0.57 0.00 0.00 43.02 42.24 1ney s PHE 229 CO 0.00 -0.15 0.08 -1.17 -0.10 0.00 0.00 175.22 173.88 1ney s LEU 230 N -1.38 3.98 -0.18 -0.37 2.96 -0.58 -0.89 118.68 122.22 1ney s LEU 230 Ca -0.13 -0.86 -0.03 0.00 -0.22 0.00 0.00 54.13 52.88 1ney s LEU 230 Cb -0.09 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 1ney s LEU 230 CO -0.01 -0.23 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.05 1ney s VAL 231 N 1.46 3.53 0.00 1.68 1.01 0.06 -4.16 120.40 123.99 1ney s VAL 231 Ca 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1ney s VAL 231 Cb -0.18 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.63 1ney s VAL 231 CO 0.02 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1ney n GLY 232 N 4.14 0.23 0.36 4.51 0.00 -1.26 -0.31 105.19 112.86 1ney n GLY 232 Ca -0.18 0.00 0.09 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 1.70 2.00 -0.02 0.00 -1.92 -0.16 103.07 104.67 1ney h GLY 233 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1ney h GLY 233 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 176.54 176.62 1ney n ALA 234 N -2.34 1.82 0.46 3.60 0.00 -1.26 -2.59 120.51 120.20 1ney n ALA 234 Ca 0.21 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.77 1ney n ALA 234 Cb 0.43 -1.36 0.46 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.92 0.62 -0.17 0.00 3.41 -0.07 -2.15 113.62 113.34 1ney n SER 235 Ca 0.04 0.63 0.14 0.00 -0.26 0.00 0.00 58.87 59.42 1ney n SER 235 Cb 0.25 -0.77 0.54 0.00 -0.26 0.00 0.00 64.21 63.97 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 -2.16 0.69 -4.39 1.04 4.77 -1.07 -4.91 117.00 110.97 1ney n LEU 236 Ca 0.03 -0.10 -0.21 0.00 -0.03 0.00 0.00 56.01 55.70 1ney n LEU 236 Cb 0.26 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.10 1ney n LEU 236 CO 0.21 0.13 -0.46 -0.54 -1.33 0.00 0.00 177.39 175.39 1ney s LYS 237 N -2.45 1.45 0.46 3.23 1.02 -0.91 -4.98 119.74 117.56 1ney s LYS 237 Ca 0.28 -1.63 0.19 0.00 0.02 0.00 0.00 55.97 54.84 1ney s LYS 237 Cb 0.20 -1.40 1.15 0.00 -0.52 0.00 0.00 37.83 37.26 1ney s LYS 237 CO 0.48 0.26 1.93 -1.35 -0.92 0.00 0.00 175.35 175.75 1ney h PRO 238 N 2.58 0.29 0.00 -1.68 0.11 -1.93 -2.05 132.00 129.32 1ney h PRO 238 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1ney h PRO 238 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ney h PRO 238 CO 0.59 0.19 0.00 -0.85 -0.21 0.00 0.00 178.00 177.72 1ney n GLU 239 N -4.45 0.02 -0.31 1.05 0.28 -1.26 -1.86 120.64 114.11 1ney n GLU 239 Ca 0.14 0.38 0.16 0.00 -0.16 0.00 0.00 57.16 57.67 1ney n GLU 239 Cb 0.57 -1.54 0.40 0.00 1.43 0.00 0.00 31.44 32.31 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 0.84 -0.35 -1.84 3.57 -1.40 -1.44 116.94 116.33 1ney h PHE 240 Ca 0.00 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 1ney h PHE 240 Cb 0.14 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1ney h PHE 240 CO 0.00 0.21 -0.13 0.28 -2.23 0.00 0.00 178.31 176.44 1ney h VAL 241 N 0.62 1.25 -0.50 1.41 2.07 -1.61 -2.19 116.25 117.30 1ney h VAL 241 Ca 0.53 -1.11 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 1ney h VAL 241 Cb 1.02 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1ney h VAL 241 CO -0.29 0.37 0.08 0.44 0.02 0.00 0.00 177.57 178.19 1ney h ASP 242 N 0.57 0.73 -0.40 0.57 3.45 -1.45 -1.67 116.42 118.23 1ney h ASP 242 Ca 0.10 -0.14 -0.03 0.00 0.43 0.00 0.00 57.03 57.38 1ney h ASP 242 Cb 0.55 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.11 1ney h ASP 242 CO 0.03 0.75 0.11 0.40 -1.57 0.00 0.00 179.24 178.97 1ney h ILE 243 N 0.75 1.22 -0.63 0.35 2.04 -0.91 -2.44 117.51 117.89 1ney h ILE 243 Ca 0.16 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.30 1ney h ILE 243 Cb 0.34 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1ney h ILE 243 CO 0.01 0.26 0.42 0.40 0.00 0.00 0.00 178.15 179.23 1ney h ILE 244 N 0.50 1.13 -0.48 -0.67 2.04 -1.01 -2.04 117.51 116.98 1ney h ILE 244 Ca 0.13 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1ney h ILE 244 Cb 0.28 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 1ney h ILE 244 CO -0.00 0.15 0.00 0.59 0.00 0.00 0.00 178.15 178.89 1ney n ASN 245 N -4.45 3.38 0.00 1.72 5.03 -0.66 -4.55 115.26 115.72 1ney n ASN 245 Ca 0.07 -2.25 0.11 0.00 0.87 0.00 0.00 54.58 53.38 1ney n ASN 245 Cb 0.08 -0.46 0.50 0.00 -1.02 0.00 0.00 39.78 38.89 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 0.81 0.00 -1.01 6.41 3.41 -0.77 -2.07 113.62 120.40 1ney n SER 246 Ca 0.18 0.46 0.10 0.00 -0.26 0.00 0.00 58.87 59.35 1ney n SER 246 Cb 0.62 -0.48 0.19 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.48 2.35 0.00 4.33 5.12 -1.26 -4.62 116.66 121.10 1ney n ARG 247 Ca 0.06 -2.15 0.03 0.00 -1.93 0.00 0.00 57.85 53.86 1ney n ARG 247 Cb 0.27 -1.44 0.17 0.00 -1.16 0.00 0.00 32.46 30.29 1ney n ARG 247 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79