#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nba s PHE 8 N 0.00 1.81 0.41 1.09 0.08 -1.26 -5.03 117.98 115.09 1nba s PHE 8 Ca 0.00 -0.75 0.19 0.00 0.12 0.00 0.00 56.93 56.49 1nba s PHE 8 Cb 0.00 -1.29 1.12 0.00 -0.57 0.00 0.00 43.02 42.27 1nba s PHE 8 CO 0.00 -0.37 1.81 -0.97 -0.10 0.00 0.00 175.22 175.59 1nba h ASN 9 N 7.07 0.41 -0.82 1.36 -0.00 -2.06 0.22 115.58 121.76 1nba h ASN 9 Ca -0.29 0.06 0.02 0.00 -0.00 0.00 0.00 56.30 56.10 1nba h ASN 9 Cb 1.19 -0.01 -0.04 0.00 -0.00 0.00 0.00 38.32 39.46 1nba h ASN 9 CO 0.48 0.12 0.54 -2.24 -0.00 0.00 0.00 177.43 176.33 1nba h ASP 10 N 0.38 0.92 -0.22 1.15 3.04 -2.00 -0.74 116.42 118.95 1nba h ASP 10 Ca 0.54 -0.02 -0.06 0.00 -3.24 0.00 0.00 57.03 54.25 1nba h ASP 10 Cb 1.40 -0.22 -0.01 0.00 -1.04 0.00 0.00 39.33 39.47 1nba h ASP 10 CO -0.23 0.65 -0.10 0.40 -2.04 0.00 0.00 179.24 177.92 1nba h ILE 11 N 1.07 1.30 -0.67 4.15 2.04 -1.01 -0.54 117.51 123.85 1nba h ILE 11 Ca 0.31 -1.15 0.13 0.00 1.00 0.00 0.00 64.86 65.15 1nba h ILE 11 Cb -0.06 1.59 -0.09 0.00 -0.74 0.00 0.00 36.82 37.52 1nba h ILE 11 CO -0.08 0.35 0.21 -0.08 0.00 0.00 0.00 178.15 178.56 1nba h GLU 12 N 0.17 0.34 -0.09 2.37 4.57 -0.50 0.50 114.58 121.94 1nba h GLU 12 Ca 0.05 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 58.06 1nba h GLU 12 Cb 0.58 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1nba h GLU 12 CO 0.03 0.22 -0.52 0.00 -1.18 0.00 0.00 179.01 177.57 1nba h ALA 13 N 1.51 0.19 -0.28 2.92 0.00 -1.30 -1.00 119.26 121.30 1nba h ALA 13 Ca 0.36 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1nba h ALA 13 Cb 0.54 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1nba h ALA 13 CO -0.40 0.38 0.14 -0.09 0.00 0.00 0.00 179.25 179.28 1nba h ARG 14 N 0.10 0.28 0.15 0.00 1.12 -0.57 -1.69 114.38 113.77 1nba h ARG 14 Ca -0.04 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.82 1nba h ARG 14 Cb 1.16 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 31.05 1nba h ARG 14 CO 0.11 0.19 -0.14 1.25 -3.11 0.00 0.00 179.97 178.26 1nba h LEU 15 N 0.29 -0.37 -0.75 3.80 5.85 -0.04 0.95 115.31 125.05 1nba h LEU 15 Ca 0.12 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.95 1nba h LEU 15 Cb 0.04 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1nba h LEU 15 CO -0.08 -0.22 0.42 0.00 -0.34 0.00 0.00 178.44 178.22 1nba h ALA 16 N 0.51 1.03 -0.15 1.25 0.00 -0.91 0.03 119.26 121.01 1nba h ALA 16 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1nba h ALA 16 Cb 0.29 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1nba h ALA 16 CO -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 179.25 179.27 1nba h ALA 17 N 1.40 0.21 -0.41 0.00 0.00 -0.78 -1.76 119.26 117.93 1nba h ALA 17 Ca 0.35 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1nba h ALA 17 Cb 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1nba h ALA 17 CO -0.21 -0.04 -0.29 0.28 0.00 0.00 0.00 179.25 178.99 1nba h VAL 18 N -0.01 1.28 -0.98 0.00 2.07 -0.52 -2.32 116.25 115.77 1nba h VAL 18 Ca 0.04 -1.45 0.07 0.00 0.82 0.00 0.00 66.70 66.18 1nba h VAL 18 Cb 0.45 1.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 1nba h VAL 18 CO 0.01 0.49 0.63 -0.07 0.02 0.00 0.00 177.57 178.66 1nba h LEU 19 N 0.73 0.99 -1.10 2.57 3.38 -1.01 -0.78 115.31 120.09 1nba h LEU 19 Ca 0.08 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1nba h LEU 19 Cb 0.87 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1nba h LEU 19 CO 0.08 0.62 0.42 -0.08 0.09 0.00 0.00 178.44 179.57 1nba h GLU 20 N 1.12 1.05 0.09 1.13 4.57 -0.78 0.14 114.58 121.90 1nba h GLU 20 Ca 0.43 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.50 1nba h GLU 20 Cb 0.22 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1nba h GLU 20 CO -0.18 0.76 -0.04 0.93 -1.18 0.00 0.00 179.01 179.30 1nba h GLU 21 N 1.06 -0.12 -0.93 1.92 5.08 -0.79 -0.44 114.58 120.36 1nba h GLU 21 Ca 0.27 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.69 1nba h GLU 21 Cb 0.01 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 1nba h GLU 21 CO -0.04 -0.05 0.61 0.00 -1.00 0.00 0.00 179.01 178.53 1nba h ALA 22 N 0.75 1.45 -0.37 3.43 0.00 -0.45 -1.42 119.26 122.65 1nba h ALA 22 Ca -0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 1nba h ALA 22 Cb 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1nba h ALA 22 CO 0.02 0.44 -0.39 0.74 0.00 0.00 0.00 179.25 180.05 1nba h PHE 23 N 1.12 1.08 -0.09 0.00 0.04 -0.51 -0.86 116.94 117.72 1nba h PHE 23 Ca 0.38 -0.33 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 1nba h PHE 23 Cb 0.10 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.02 1nba h PHE 23 CO -0.00 1.14 0.05 1.49 -0.60 0.00 0.00 178.31 180.39 1nba h GLU 24 N 0.74 0.13 -0.24 1.51 4.81 -0.58 0.75 114.58 121.70 1nba h GLU 24 Ca 0.06 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1nba h GLU 24 Cb 0.98 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1nba h GLU 24 CO 0.09 0.18 0.15 0.00 -0.73 0.00 0.00 179.01 178.70 1nba h ALA 25 N 0.95 0.30 -0.39 2.92 0.00 -1.26 -1.71 119.26 120.08 1nba h ALA 25 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1nba h ALA 25 Cb 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1nba h ALA 25 CO -0.00 -0.24 0.24 0.78 0.00 0.00 0.00 179.25 180.03 1nba h GLY 26 N 0.31 0.56 1.44 0.00 0.00 -0.90 -2.15 103.07 102.32 1nba h GLY 26 Ca 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1nba h GLY 26 CO -0.03 0.22 0.30 -0.84 0.00 0.00 0.00 176.54 176.19 1nba h THR 27 N 0.51 1.17 -0.12 4.70 2.02 -0.61 0.90 112.91 121.48 1nba h THR 27 Ca 0.14 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1nba h THR 27 Cb -0.01 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1nba h THR 27 CO -0.03 0.18 0.08 -1.28 0.37 0.00 0.00 175.52 174.84 1nba h SER 28 N 0.75 0.14 -0.09 4.18 0.87 -0.69 0.17 113.55 118.88 1nba h SER 28 Ca 0.19 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1nba h SER 28 Cb 0.01 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1nba h SER 28 CO -0.03 0.12 0.01 0.40 -0.53 0.00 0.00 176.83 176.79 1nba h ILE 29 N 0.15 1.22 -0.93 2.23 2.04 -0.79 -0.47 117.51 120.96 1nba h ILE 29 Ca 0.04 -0.69 0.13 0.00 1.00 0.00 0.00 64.86 65.34 1nba h ILE 29 Cb -0.00 1.52 -0.08 0.00 -0.74 0.00 0.00 36.82 37.52 1nba h ILE 29 CO -0.01 0.19 0.60 1.88 0.00 0.00 0.00 178.15 180.81 1nba h TYR 30 N -0.10 0.96 -0.35 1.37 0.05 -0.75 -0.52 116.97 117.63 1nba h TYR 30 Ca 0.03 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.76 1nba h TYR 30 Cb 0.30 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 1nba h TYR 30 CO 0.02 0.37 -0.08 -0.91 -1.05 0.00 0.00 178.16 176.51 1nba h ASN 31 N 0.83 0.67 0.55 3.88 2.35 -0.55 0.10 115.58 123.42 1nba h ASN 31 Ca 0.46 -0.36 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1nba h ASN 31 Cb 0.60 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1nba h ASN 31 CO -0.23 0.88 0.00 -1.84 -1.65 0.00 0.00 177.43 174.59 1nba n GLU 32 N -4.41 0.06 -0.00 0.81 -0.00 -0.22 -2.67 120.64 114.20 1nba n GLU 32 Ca -0.02 0.31 0.07 0.00 -0.00 0.00 0.00 57.16 57.52 1nba n GLU 32 Cb 0.34 -1.61 -0.08 0.00 -0.00 0.00 0.00 31.44 30.08 1nba n GLU 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1nba n ARG 33 N -1.72 2.26 -0.45 3.44 1.74 -0.63 -5.01 116.66 116.28 1nba n ARG 33 Ca 0.03 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1nba n ARG 33 Cb 0.18 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 1nba n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nba n GLY 34 N 1.34 0.73 3.08 -0.13 0.00 0.20 -5.01 105.19 105.41 1nba n GLY 34 Ca 0.03 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 1nba n GLY 34 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nba n PHE 35 N -2.45 -3.35 -3.40 1.61 3.01 -0.27 -4.60 117.46 108.01 1nba n PHE 35 Ca 0.00 -1.25 -0.19 0.00 1.01 0.00 0.00 57.45 57.02 1nba n PHE 35 Cb 0.00 -0.66 0.07 0.00 -0.01 0.00 0.00 39.48 38.89 1nba n PHE 35 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1nba n LYS 36 N -2.72 -6.66 -1.92 -1.08 4.81 -0.90 -4.60 118.16 105.08 1nba n LYS 36 Ca 0.13 0.74 -0.29 0.00 -0.87 0.00 0.00 58.31 58.02 1nba n LYS 36 Cb 0.47 -5.48 0.12 0.00 0.02 0.00 0.00 35.03 30.15 1nba n LYS 36 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1nba s ARG 37 N -5.85 1.56 -0.25 1.64 0.52 -1.26 -4.98 118.95 110.33 1nba s ARG 37 Ca 0.35 -0.07 -0.10 0.00 -0.52 0.00 0.00 55.73 55.39 1nba s ARG 37 Cb -0.15 -1.93 -0.05 0.00 0.52 0.00 0.00 34.95 33.34 1nba s ARG 37 CO 0.64 -1.84 0.16 1.03 0.02 0.00 0.00 175.30 175.31 1nba s ARG 38 N -5.66 3.99 0.18 3.54 1.81 -1.26 -4.96 118.95 116.58 1nba s ARG 38 Ca 0.66 -0.31 -0.08 0.00 -1.72 0.00 0.00 55.73 54.28 1nba s ARG 38 Cb -0.09 -3.54 0.07 0.00 -0.45 0.00 0.00 34.95 30.94 1nba s ARG 38 CO 0.50 -0.03 1.57 0.97 -0.68 0.00 0.00 175.30 177.63 1nba h ILE 39 N 5.18 1.27 0.00 1.52 2.10 -1.95 -3.49 117.51 122.14 1nba h ILE 39 Ca -0.37 -1.40 0.00 0.00 1.08 0.00 0.00 64.86 64.18 1nba h ILE 39 Cb 1.18 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 38.10 1nba h ILE 39 CO 0.61 0.47 0.00 0.61 -1.08 0.00 0.00 178.15 178.77 1nba n GLY 40 N -0.12 -1.41 3.76 8.18 0.00 -1.26 -4.71 105.19 109.63 1nba n GLY 40 Ca -0.00 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.10 1nba n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nba s TYR 41 N -3.12 3.83 0.00 1.61 2.02 -1.26 -4.92 117.35 115.51 1nba s TYR 41 Ca 0.00 1.85 0.00 0.00 -0.37 0.00 0.00 57.07 58.55 1nba s TYR 41 Cb 0.00 -3.01 0.00 0.00 -0.40 0.00 0.00 41.96 38.55 1nba s TYR 41 CO 0.00 0.22 0.00 0.41 -1.57 0.00 0.00 175.55 174.61 1nba n GLY 42 N 1.17 0.87 0.05 0.71 0.00 -1.26 -5.06 105.19 101.66 1nba n GLY 42 Ca -0.01 -1.94 0.09 0.00 0.00 0.00 0.00 46.02 44.17 1nba n GLY 42 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nba n ASN 43 N -1.95 1.03 -3.43 1.61 5.03 -1.26 -4.86 115.26 111.44 1nba n ASN 43 Ca 0.00 -1.02 -0.26 0.00 0.87 0.00 0.00 54.58 54.17 1nba n ASN 43 Cb 0.00 0.95 -0.11 0.00 -1.02 0.00 0.00 39.78 39.60 1nba n ASN 43 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1nba s ARG 44 N -2.82 0.61 0.37 3.52 3.52 -1.26 -4.48 118.95 118.40 1nba s ARG 44 Ca 0.08 -1.34 0.06 0.00 -0.13 0.00 0.00 55.73 54.40 1nba s ARG 44 Cb 0.15 -1.20 -0.00 0.00 -1.56 0.00 0.00 34.95 32.34 1nba s ARG 44 CO 0.79 -1.23 0.52 -1.25 -0.81 0.00 0.00 175.30 173.32 1nba s PRO 45 N 1.00 3.05 0.02 5.12 0.04 -1.26 -0.58 135.00 142.40 1nba s PRO 45 Ca 0.20 -0.96 -0.02 0.00 0.04 0.00 0.00 61.00 60.25 1nba s PRO 45 Cb -0.18 -2.76 -0.02 0.00 0.04 0.00 0.00 34.50 31.58 1nba s PRO 45 CO -0.02 -0.06 0.01 0.00 0.04 0.00 0.00 177.00 176.97 1nba s ALA 46 N -2.27 0.09 0.00 8.56 0.00 -0.73 -4.38 121.76 123.02 1nba s ALA 46 Ca 0.47 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.86 1nba s ALA 46 Cb -0.10 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 1nba s ALA 46 CO 0.33 -0.22 -0.07 0.08 0.00 0.00 0.00 175.76 175.88 1nba s VAL 47 N -1.95 3.66 -0.04 0.00 1.01 -0.11 -1.44 120.40 121.52 1nba s VAL 47 Ca -0.11 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1nba s VAL 47 Cb -0.06 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.76 1nba s VAL 47 CO -0.02 0.40 -0.02 -0.51 0.00 0.00 0.00 175.10 174.95 1nba s ILE 48 N -0.99 0.34 -0.35 2.22 2.07 0.20 -0.30 121.20 124.38 1nba s ILE 48 Ca 0.17 0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.31 1nba s ILE 48 Cb -0.11 -0.41 0.01 0.00 0.13 0.00 0.00 42.46 42.07 1nba s ILE 48 CO 0.07 0.19 0.20 -1.00 -1.91 0.00 0.00 174.94 172.49 1nba s HIS 49 N 1.11 3.22 -0.49 3.50 3.76 -0.18 -1.32 115.29 124.89 1nba s HIS 49 Ca -0.08 -0.71 -0.25 0.00 -0.15 0.00 0.00 55.06 53.86 1nba s HIS 49 Cb -0.14 -2.43 0.03 0.00 1.11 0.00 0.00 32.58 31.15 1nba s HIS 49 CO -0.01 -0.55 0.94 0.42 -0.85 0.00 0.00 174.74 174.69 1nba s ILE 50 N 1.60 4.43 -1.47 0.60 -1.09 -0.37 -1.18 121.20 123.74 1nba s ILE 50 Ca 0.04 0.65 -0.05 0.00 -2.23 0.00 0.00 60.65 59.06 1nba s ILE 50 Cb -0.18 -4.47 0.04 0.00 -1.58 0.00 0.00 42.46 36.26 1nba s ILE 50 CO 0.07 -0.92 0.54 0.47 -1.23 0.00 0.00 174.94 173.88 1nba n ASP 51 N 7.29 -1.25 -3.77 3.58 8.00 -1.04 -1.49 116.55 127.88 1nba n ASP 51 Ca 0.05 -0.98 -0.42 0.00 0.71 0.00 0.00 54.79 54.15 1nba n ASP 51 Cb 0.48 -3.12 0.00 0.00 -0.02 0.00 0.00 41.12 38.47 1nba n ASP 51 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1nba n LEU 52 N -4.41 7.05 -4.62 0.64 4.77 -1.26 -4.62 117.00 114.55 1nba n LEU 52 Ca -0.21 -4.90 -0.24 0.00 -0.03 0.00 0.00 56.01 50.62 1nba n LEU 52 Cb 0.64 -1.37 -0.09 0.00 -2.33 0.00 0.00 43.42 40.27 1nba n LEU 52 CO 0.77 1.69 -0.32 0.00 -1.33 0.00 0.00 177.39 178.20 1nba s ALA 53 N -1.15 3.16 0.50 -1.18 0.00 -1.26 -1.44 121.76 120.38 1nba s ALA 53 Ca 0.41 -1.92 0.23 0.00 0.00 0.00 0.00 51.96 50.68 1nba s ALA 53 Cb 0.12 -0.41 1.30 0.00 0.00 0.00 0.00 23.12 24.13 1nba s ALA 53 CO -0.01 0.11 1.97 -0.91 0.00 0.00 0.00 175.76 176.92 1nba h ASN 54 N 1.86 0.11 0.03 0.00 -0.26 -0.67 0.15 115.58 116.80 1nba h ASN 54 Ca -0.43 0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.31 1nba h ASN 54 Cb 1.25 -0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 38.49 1nba h ASN 54 CO 0.66 0.06 -0.02 0.00 -1.06 0.00 0.00 177.43 177.06 1nba h ALA 55 N 1.71 1.88 0.02 -0.83 0.00 -1.69 0.57 119.26 120.91 1nba h ALA 55 Ca 0.29 -0.02 -0.39 0.00 0.00 0.00 0.00 54.91 54.79 1nba h ALA 55 Cb 0.98 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1nba h ALA 55 CO -0.03 0.03 -2.39 0.91 0.00 0.00 0.00 179.25 177.76 1nba n TRP 56 N -4.40 0.21 0.11 0.00 8.01 -0.07 -1.94 117.44 119.36 1nba n TRP 56 Ca -0.03 0.05 0.03 0.00 -1.31 0.00 0.00 57.50 56.24 1nba n TRP 56 Cb 0.11 -1.03 -0.00 0.00 -2.01 0.00 0.00 31.31 28.38 1nba n TRP 56 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 1nba h THR 57 N -0.09 0.66 -2.88 -0.99 1.35 -1.17 0.14 112.91 109.92 1nba h THR 57 Ca -0.56 -2.01 -0.65 0.00 -0.55 0.00 0.00 66.41 62.63 1nba h THR 57 Cb 1.89 2.23 -0.07 0.00 -1.73 0.00 0.00 68.15 70.47 1nba h THR 57 CO -0.09 0.37 -0.52 -1.10 -0.25 0.00 0.00 175.52 173.93 1nba s GLN 58 N -2.99 3.31 0.85 4.72 -1.52 0.18 -4.91 119.66 119.31 1nba s GLN 58 Ca 0.02 -0.34 -0.11 0.00 -1.95 0.00 0.00 55.36 52.98 1nba s GLN 58 Cb 0.08 -3.03 0.11 0.00 -0.22 0.00 0.00 33.01 29.94 1nba s GLN 58 CO 0.76 0.69 1.10 -1.25 -0.25 0.00 0.00 175.29 176.34 1nba s PRO 59 N -1.69 1.58 0.00 2.91 0.04 -1.26 -4.34 135.00 132.24 1nba s PRO 59 Ca 0.23 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1nba s PRO 59 Cb -0.12 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1nba s PRO 59 CO 0.14 -2.10 0.00 0.41 0.04 0.00 0.00 177.00 175.49 1nba n GLY 60 N -0.84 1.42 3.92 0.56 0.00 -1.26 -5.03 105.19 103.95 1nba n GLY 60 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1nba n GLY 60 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1nba s HIS 61 N -2.33 3.48 -0.20 1.61 5.04 -1.26 -4.96 115.29 116.67 1nba s HIS 61 Ca 0.00 0.42 0.15 0.00 -1.54 0.00 0.00 55.06 54.09 1nba s HIS 61 Cb 0.00 -1.91 0.83 0.00 0.04 0.00 0.00 32.58 31.54 1nba s HIS 61 CO 0.00 0.37 1.41 -0.35 -2.34 0.00 0.00 174.74 173.84 1nba n PRO 62 N -0.51 0.10 -0.28 2.88 -0.04 -1.26 -1.09 135.00 134.79 1nba n PRO 62 Ca -0.04 0.58 0.10 0.00 -0.04 0.00 0.00 63.50 64.09 1nba n PRO 62 Cb 0.53 -1.96 0.25 0.00 -0.04 0.00 0.00 33.50 32.29 1nba n PRO 62 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1nba n PHE 63 N -2.05 0.75 -1.94 0.54 3.01 -1.26 -4.99 117.46 111.51 1nba n PHE 63 Ca -0.01 -0.47 -0.41 0.00 1.01 0.00 0.00 57.45 57.57 1nba n PHE 63 Cb 0.15 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.59 1nba n PHE 63 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1nba s SER 64 N -1.03 6.56 -0.11 4.37 0.01 -0.25 -4.19 113.70 119.06 1nba s SER 64 Ca 0.39 2.77 -0.01 0.00 1.31 0.00 0.00 55.95 60.41 1nba s SER 64 Cb 0.20 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 1nba s SER 64 CO 0.27 -0.76 -0.06 0.00 0.41 0.00 0.00 173.24 173.09 1nba s PRO 66 N -0.21 1.09 0.00 0.00 0.04 -1.26 -4.50 135.00 130.17 1nba s PRO 66 Ca 0.03 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1nba s PRO 66 Cb -0.13 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1nba s PRO 66 CO 0.03 -2.31 0.00 0.41 0.04 0.00 0.00 177.00 175.17 1nba n GLY 67 N -1.36 0.77 0.31 0.56 0.00 -1.26 -4.61 105.19 99.59 1nba n GLY 67 Ca 0.06 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.26 1nba n GLY 67 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1nba h MET 68 N 3.35 0.00 0.00 1.61 2.86 -1.91 -0.52 114.93 120.32 1nba h MET 68 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1nba h MET 68 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1nba h MET 68 CO 0.00 0.01 -0.11 0.93 1.06 0.00 0.00 176.91 178.79 1nba h GLU 69 N 0.00 0.00 0.05 1.72 3.07 -1.96 0.78 114.58 118.24 1nba h GLU 69 Ca -0.00 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.50 1nba h GLU 69 Cb 0.03 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.89 1nba h GLU 69 CO 0.00 0.11 -2.09 2.41 -1.40 0.00 0.00 179.01 178.04 1nba n THR 70 N -3.48 1.63 0.20 1.13 -1.04 -0.25 -4.38 114.28 108.10 1nba n THR 70 Ca -0.01 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.05 61.35 1nba n THR 70 Cb 0.27 -1.71 -0.08 0.00 -1.82 0.00 0.00 70.33 66.99 1nba n THR 70 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1nba h ILE 71 N -0.25 0.62 -0.47 12.58 2.04 -1.26 -3.21 117.51 127.55 1nba h ILE 71 Ca -0.49 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1nba h ILE 71 Cb 1.83 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.69 1nba h ILE 71 CO -0.07 0.07 0.30 0.40 0.00 0.00 0.00 178.15 178.85 1nba h ILE 72 N -0.72 1.13 -0.83 -0.67 2.04 -1.08 0.04 117.51 117.42 1nba h ILE 72 Ca -0.05 -0.26 0.11 0.00 1.00 0.00 0.00 64.86 65.66 1nba h ILE 72 Cb 0.50 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 1nba h ILE 72 CO 0.09 0.13 0.54 1.55 0.00 0.00 0.00 178.15 180.45 1nba h PRO 73 N 0.64 0.69 -0.22 2.37 0.13 -1.76 -0.50 132.00 133.34 1nba h PRO 73 Ca 0.17 -0.04 -0.19 0.00 -0.87 0.00 0.00 66.00 65.07 1nba h PRO 73 Cb -0.05 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 30.93 1nba h PRO 73 CO -0.04 0.45 -0.61 -0.91 -0.23 0.00 0.00 178.00 176.67 1nba h ASN 74 N 0.71 0.84 -0.78 1.44 2.35 -1.30 -2.11 115.58 116.73 1nba h ASN 74 Ca 0.39 -0.47 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 1nba h ASN 74 Cb 0.55 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 1nba h ASN 74 CO -0.16 1.25 0.28 0.58 -1.65 0.00 0.00 177.43 177.73 1nba h VAL 75 N 0.55 1.26 -0.82 2.81 2.07 -0.50 -2.62 116.25 119.01 1nba h VAL 75 Ca -0.00 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 1nba h VAL 75 Cb 1.20 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1nba h VAL 75 CO 0.12 0.35 0.38 1.56 0.02 0.00 0.00 177.57 180.00 1nba h GLN 76 N 1.14 1.18 -0.52 1.57 4.20 -0.94 -0.51 115.11 121.23 1nba h GLN 76 Ca 0.26 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1nba h GLN 76 Cb 0.26 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1nba h GLN 76 CO -0.02 0.92 0.30 0.00 -0.67 0.00 0.00 178.83 179.36 1nba h ARG 77 N 1.17 0.72 -0.31 1.46 3.08 -1.13 -0.37 114.38 119.00 1nba h ARG 77 Ca 0.28 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1nba h ARG 77 Cb 0.14 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1nba h ARG 77 CO -0.03 0.54 0.20 0.82 -1.07 0.00 0.00 179.97 180.42 1nba h ILE 78 N 0.70 1.10 -0.41 2.04 2.04 -1.09 -2.15 117.51 119.74 1nba h ILE 78 Ca 0.19 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1nba h ILE 78 Cb 0.02 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1nba h ILE 78 CO -0.03 0.10 0.24 0.78 0.00 0.00 0.00 178.15 179.23 1nba h ASN 79 N 0.41 0.38 -0.72 1.72 2.35 -0.76 0.14 115.58 119.10 1nba h ASN 79 Ca 0.11 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1nba h ASN 79 Cb -0.01 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.25 1nba h ASN 79 CO -0.02 0.27 0.48 -0.33 -1.65 0.00 0.00 177.43 176.18 1nba h GLU 80 N 0.48 0.95 -0.53 0.81 3.07 -0.95 0.85 114.58 119.26 1nba h GLU 80 Ca 0.16 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.91 1nba h GLU 80 Cb 0.01 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 27.69 1nba h GLU 80 CO -0.08 0.63 0.10 0.00 -1.40 0.00 0.00 179.01 178.26 1nba h ALA 81 N 1.27 0.71 -0.14 3.43 0.00 -0.78 -2.74 119.26 121.00 1nba h ALA 81 Ca 0.27 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1nba h ALA 81 Cb -0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1nba h ALA 81 CO -0.06 0.44 -0.06 0.00 0.00 0.00 0.00 179.25 179.56 1nba h ALA 82 N 0.99 0.20 -0.03 0.00 0.00 -0.27 -2.98 119.26 117.17 1nba h ALA 82 Ca 0.16 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1nba h ALA 82 Cb 0.39 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1nba h ALA 82 CO 0.01 -0.02 0.02 0.00 0.00 0.00 0.00 179.25 179.27 1nba h ARG 83 N -0.04 0.00 0.00 0.00 3.08 -0.86 -0.27 114.38 116.29 1nba h ARG 83 Ca 0.03 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 1nba h ARG 83 Cb 0.52 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1nba h ARG 83 CO 0.02 0.00 -0.42 0.00 -1.07 0.00 0.00 179.97 178.50 1nba h ALA 84 N 1.98 1.25 -0.01 0.04 0.00 -1.33 -3.09 119.26 118.10 1nba h ALA 84 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1nba h ALA 84 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1nba h ALA 84 CO -0.00 0.52 -0.49 1.63 0.00 0.00 0.00 179.25 180.91 1nba n LYS 85 N -3.96 0.98 -0.83 0.00 4.76 -0.20 -4.96 118.16 113.95 1nba n LYS 85 Ca -0.02 -0.77 0.00 0.00 -2.87 0.00 0.00 58.31 54.65 1nba n LYS 85 Cb 0.46 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 1nba n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nba n GLY 86 N 1.42 0.49 3.75 0.72 0.00 -0.66 -0.25 105.19 110.65 1nba n GLY 86 Ca 0.09 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 1nba n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nba s VAL 87 N -2.00 2.74 0.08 1.61 1.01 -0.89 -4.75 120.40 118.21 1nba s VAL 87 Ca 0.00 0.63 -0.33 0.00 0.00 0.00 0.00 61.98 62.28 1nba s VAL 87 Cb 0.00 -3.40 -0.12 0.00 0.00 0.00 0.00 36.38 32.85 1nba s VAL 87 CO 0.00 0.10 1.73 -2.65 0.00 0.00 0.00 175.10 174.29 1nba n PRO 88 N 2.25 2.34 -5.07 2.72 -0.02 -1.26 -4.64 135.00 131.32 1nba n PRO 88 Ca 0.06 0.85 -0.31 0.00 -2.02 0.00 0.00 63.50 62.08 1nba n PRO 88 Cb 0.41 -2.67 -0.17 0.00 -0.02 0.00 0.00 33.50 31.04 1nba n PRO 88 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nba s VAL 89 N 2.25 1.92 0.12 -1.45 1.01 -1.26 -0.94 120.40 122.06 1nba s VAL 89 Ca 0.83 -0.93 0.10 0.00 0.00 0.00 0.00 61.98 61.98 1nba s VAL 89 Cb -0.63 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1nba s VAL 89 CO 0.41 0.53 -0.22 -0.36 0.00 0.00 0.00 175.10 175.46 1nba s PHE 90 N 0.44 2.43 -0.01 5.22 0.40 0.58 -2.57 117.98 124.48 1nba s PHE 90 Ca -0.17 -0.31 0.05 0.00 -0.60 0.00 0.00 56.93 55.89 1nba s PHE 90 Cb -0.17 -1.30 -0.01 0.00 0.51 0.00 0.00 43.02 42.04 1nba s PHE 90 CO 0.07 0.37 -0.16 0.71 0.70 0.00 0.00 175.22 176.91 1nba s TYR 91 N -1.12 1.44 0.23 0.36 1.51 0.11 -1.01 117.35 118.86 1nba s TYR 91 Ca 0.16 -0.27 0.10 0.00 -1.01 0.00 0.00 57.07 56.05 1nba s TYR 91 Cb -0.10 -0.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.78 1nba s TYR 91 CO 0.08 -0.03 -0.12 0.95 -1.11 0.00 0.00 175.55 175.33 1nba s THR 92 N -0.37 2.97 0.01 -0.71 -4.23 -0.32 -0.36 115.64 112.62 1nba s THR 92 Ca 0.06 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 58.61 1nba s THR 92 Cb -0.06 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.25 1nba s THR 92 CO -0.01 -0.26 -0.04 0.28 -0.54 0.00 0.00 174.62 174.06 1nba s THR 93 N -2.08 0.29 -0.53 3.99 -1.32 -0.48 -2.51 115.64 113.01 1nba s THR 93 Ca 0.27 -0.36 -0.09 0.00 -1.21 0.00 0.00 61.69 60.30 1nba s THR 93 Cb -0.07 -0.29 0.13 0.00 -1.51 0.00 0.00 72.50 70.77 1nba s THR 93 CO 0.16 -0.05 0.40 0.21 -2.21 0.00 0.00 174.62 173.13 1nba s ASN 94 N -0.45 5.77 0.06 8.08 2.47 -1.26 -1.18 114.94 128.43 1nba s ASN 94 Ca -0.02 -2.10 0.00 0.00 0.42 0.00 0.00 52.86 51.16 1nba s ASN 94 Cb -0.03 -2.02 -0.04 0.00 -1.45 0.00 0.00 41.25 37.71 1nba s ASN 94 CO -0.00 -0.65 -0.04 0.68 -3.72 0.00 0.00 177.10 173.37 1nba s VAL 95 N 1.08 0.37 -0.05 -5.21 -7.23 -1.07 -4.90 120.40 103.38 1nba s VAL 95 Ca 0.08 -1.72 0.05 0.00 -1.81 0.00 0.00 61.98 58.58 1nba s VAL 95 Cb -0.24 -1.39 -0.01 0.00 0.56 0.00 0.00 36.38 35.30 1nba s VAL 95 CO -0.02 -0.88 -0.21 -0.31 -0.31 0.00 0.00 175.10 173.38 1nba s TYR 96 N -3.45 2.05 0.12 2.82 2.02 -0.00 -4.68 117.35 116.23 1nba s TYR 96 Ca 0.05 -0.63 0.04 0.00 -0.37 0.00 0.00 57.07 56.17 1nba s TYR 96 Cb 0.04 -1.37 -0.20 0.00 -0.40 0.00 0.00 41.96 40.04 1nba s TYR 96 CO -0.07 -0.21 1.26 0.00 -1.57 0.00 0.00 175.55 174.96 1nba h ARG 97 N 6.24 0.07 -2.87 -0.62 2.47 -1.94 -1.44 114.38 116.29 1nba h ARG 97 Ca -0.31 -0.11 -0.46 0.00 -1.26 0.00 0.00 59.98 57.84 1nba h ARG 97 Cb 1.18 0.04 -0.40 0.00 -1.65 0.00 0.00 29.97 29.14 1nba h ARG 97 CO 0.47 1.03 -0.74 1.21 0.56 0.00 0.00 179.97 182.51 1nba s ASN 98 N -6.82 2.54 -0.32 7.04 3.04 -1.26 -4.95 114.94 114.21 1nba s ASN 98 Ca -0.00 -0.77 0.09 0.00 0.04 0.00 0.00 52.86 52.22 1nba s ASN 98 Cb 0.09 -0.16 0.72 0.00 -1.54 0.00 0.00 41.25 40.36 1nba s ASN 98 CO 0.83 -0.37 1.78 0.54 -3.04 0.00 0.00 177.10 176.84 1nba n ARG 99 N 5.28 3.55 -3.52 0.43 1.74 -1.26 -2.53 116.66 120.35 1nba n ARG 99 Ca -0.06 -2.95 -0.42 0.00 -0.77 0.00 0.00 57.85 53.65 1nba n ARG 99 Cb 0.47 -2.19 -0.09 0.00 -1.02 0.00 0.00 32.46 29.63 1nba n ARG 99 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nba s ASP 100 N -0.95 5.88 0.55 0.55 2.15 -1.26 -4.85 116.67 118.74 1nba s ASP 100 Ca 0.53 -1.27 0.27 0.00 0.43 0.00 0.00 52.55 52.51 1nba s ASP 100 Cb 0.43 -2.08 1.46 0.00 -0.30 0.00 0.00 42.92 42.43 1nba s ASP 100 CO 0.13 -0.53 1.98 0.00 -0.17 0.00 0.00 175.17 176.58 1nba h ALA 101 N 8.55 2.36 -0.01 3.66 0.00 -1.98 -1.18 119.26 130.67 1nba h ALA 101 Ca -0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1nba h ALA 101 Cb 1.10 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1nba h ALA 101 CO 0.77 -0.65 -0.01 -1.13 0.00 0.00 0.00 179.25 178.23 1nba n SER 102 N -4.14 0.65 -4.79 0.00 3.41 -1.26 -4.84 113.62 102.64 1nba n SER 102 Ca 0.09 -1.17 -0.38 0.00 -0.26 0.00 0.00 58.87 57.15 1nba n SER 102 Cb 0.61 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 64.49 1nba n SER 102 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1nba s SER 103 N -2.04 6.94 0.00 4.04 0.15 -0.44 -4.95 113.70 117.40 1nba s SER 103 Ca 0.42 1.11 0.09 0.00 0.70 0.00 0.00 55.95 58.28 1nba s SER 103 Cb 0.21 -2.33 0.43 0.00 -1.71 0.00 0.00 66.02 62.62 1nba s SER 103 CO 0.36 0.20 1.21 0.61 1.20 0.00 0.00 173.24 176.83 1nba n GLY 104 N 2.14 -0.67 0.37 9.45 0.00 -1.26 -1.87 105.19 113.35 1nba n GLY 104 Ca -0.10 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 45.94 1nba n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nba n THR 105 N -1.37 1.51 -2.06 2.61 -2.24 -1.26 -5.02 114.28 106.45 1nba n THR 105 Ca 0.03 -1.52 -0.41 0.00 -2.27 0.00 0.00 64.05 59.89 1nba n THR 105 Cb 0.08 0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.44 1nba n THR 105 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1nba s ASN 106 N -1.68 6.70 -0.24 3.42 2.20 -0.78 -4.73 114.94 119.83 1nba s ASN 106 Ca 0.23 2.70 0.14 0.00 -0.94 0.00 0.00 52.86 54.99 1nba s ASN 106 Cb 0.17 -2.64 0.80 0.00 -2.00 0.00 0.00 41.25 37.59 1nba s ASN 106 CO 0.06 -0.62 1.74 -0.90 -2.94 0.00 0.00 177.10 174.44 1nba n ASP 107 N 1.42 5.61 0.02 3.54 5.68 -1.05 -4.43 116.55 127.34 1nba n ASP 107 Ca 0.03 -2.96 0.01 0.00 -0.50 0.00 0.00 54.79 51.37 1nba n ASP 107 Cb 0.41 -0.68 -0.09 0.00 -1.14 0.00 0.00 41.12 39.62 1nba n ASP 107 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1nba n MET 108 N 0.51 0.63 0.00 0.11 2.81 -1.26 -4.91 117.12 115.01 1nba n MET 108 Ca 0.28 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 56.33 1nba n MET 108 Cb 1.20 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.95 1nba n MET 108 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nba n GLY 109 N 1.40 1.58 0.03 3.03 0.00 -1.26 -2.82 105.19 107.15 1nba n GLY 109 Ca -0.11 -0.54 0.14 0.00 0.00 0.00 0.00 46.02 45.52 1nba n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nba n LEU 110 N 0.00 0.19 0.26 0.99 4.77 -1.26 -3.82 117.00 118.13 1nba n LEU 110 Ca 0.00 0.24 0.13 0.00 -0.03 0.00 0.00 56.01 56.35 1nba n LEU 110 Cb 0.00 -0.31 0.70 0.00 -2.33 0.00 0.00 43.42 41.48 1nba n LEU 110 CO 0.00 0.04 0.96 -0.25 -1.33 0.00 0.00 177.39 176.80 1nba h TRP 111 N 0.16 0.00 0.00 -1.77 7.01 -1.91 0.57 115.95 120.01 1nba h TRP 111 Ca 0.00 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 1nba h TRP 111 Cb 0.39 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.45 1nba h TRP 111 CO 0.00 0.13 -0.02 -0.92 -2.79 0.00 0.00 178.44 174.84 1nba h TYR 112 N 0.00 0.00 0.00 2.65 3.20 -1.66 0.12 116.97 121.28 1nba h TYR 112 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1nba h TYR 112 Cb 0.40 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1nba h TYR 112 CO 0.00 0.02 0.00 0.43 -1.64 0.00 0.00 178.16 176.97 1nba n SER 113 N -4.24 0.00 0.00 -2.11 7.64 0.19 -4.06 113.62 111.04 1nba n SER 113 Ca -0.03 -1.33 0.00 0.00 1.01 0.00 0.00 58.87 58.53 1nba n SER 113 Cb 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1nba n SER 113 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1nba n LYS 114 N -0.82 0.00 -4.30 1.43 4.76 0.27 -5.12 118.16 114.39 1nba n LYS 114 Ca 0.15 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.42 1nba n LYS 114 Cb 0.07 -0.60 -0.10 0.00 -1.84 0.00 0.00 35.03 32.56 1nba n LYS 114 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1nba s ILE 115 N -1.96 1.48 -1.10 -0.18 -4.36 -0.26 -5.06 121.20 109.75 1nba s ILE 115 Ca 0.00 -2.08 -0.18 0.00 -0.26 0.00 0.00 60.65 58.14 1nba s ILE 115 Cb 0.00 -1.89 -0.07 0.00 1.25 0.00 0.00 42.46 41.75 1nba s ILE 115 CO 0.00 -0.61 2.10 -0.81 0.24 0.00 0.00 174.94 175.85 1nba n PRO 116 N -0.16 2.18 0.25 0.37 -0.04 -1.26 -4.28 135.00 132.06 1nba n PRO 116 Ca -0.10 -2.17 0.08 0.00 -0.04 0.00 0.00 63.50 61.27 1nba n PRO 116 Cb 0.60 -3.06 0.63 0.00 -0.04 0.00 0.00 33.50 31.63 1nba n PRO 116 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1nba h THR 117 N 4.18 0.96 0.00 0.52 1.35 -1.86 -1.27 112.91 116.79 1nba h THR 117 Ca 0.50 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 66.09 1nba h THR 117 Cb 0.62 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1nba h THR 117 CO 1.91 0.08 0.05 -0.33 -0.25 0.00 0.00 175.52 176.97 1nba h GLU 118 N 0.00 0.00 -0.22 4.72 3.07 -1.89 -2.00 114.58 118.27 1nba h GLU 118 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1nba h GLU 118 Cb 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1nba h GLU 118 CO 0.01 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 177.87 1nba n THR 119 N -2.49 0.28 -3.64 1.13 -2.24 -0.48 -4.63 114.28 102.22 1nba n THR 119 Ca -0.02 -0.38 -0.30 0.00 -2.27 0.00 0.00 64.05 61.07 1nba n THR 119 Cb 0.09 0.34 -0.09 0.00 -2.10 0.00 0.00 70.33 68.58 1nba n THR 119 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1nba n LEU 120 N 0.39 3.73 -4.77 3.22 4.77 -0.75 -5.02 117.00 118.58 1nba n LEU 120 Ca 0.15 -5.28 -0.41 0.00 -0.03 0.00 0.00 56.01 50.45 1nba n LEU 120 Cb 0.33 -0.83 -0.03 0.00 -2.33 0.00 0.00 43.42 40.56 1nba n LEU 120 CO 0.12 1.81 0.92 -2.84 -1.33 0.00 0.00 177.39 176.07 1nba s PRO 121 N -1.88 4.45 0.67 3.23 0.02 -1.26 -0.82 135.00 139.41 1nba s PRO 121 Ca 0.31 2.08 -0.15 0.00 0.02 0.00 0.00 61.00 63.26 1nba s PRO 121 Cb 0.02 -3.11 0.01 0.00 0.02 0.00 0.00 34.50 31.44 1nba s PRO 121 CO -0.09 -0.06 1.11 0.00 -0.33 0.00 0.00 177.00 177.63 1nba s ALA 122 N -1.14 2.44 -0.76 -1.55 0.00 -0.54 -3.45 121.76 116.77 1nba s ALA 122 Ca 0.47 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.97 1nba s ALA 122 Cb -0.37 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.43 1nba s ALA 122 CO 0.49 -1.33 0.00 -0.25 0.00 0.00 0.00 175.76 174.67 1nba n ASP 123 N -2.51 -5.03 -4.92 0.00 8.00 -1.26 -4.96 116.55 105.87 1nba n ASP 123 Ca 0.10 0.18 -0.25 0.00 0.71 0.00 0.00 54.79 55.53 1nba n ASP 123 Cb 0.52 -3.56 0.07 0.00 -0.02 0.00 0.00 41.12 38.13 1nba n ASP 123 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1nba s SER 124 N -2.05 4.82 0.23 -2.24 1.04 -1.22 -4.94 113.70 109.33 1nba s SER 124 Ca 0.00 0.39 -0.08 0.00 0.48 0.00 0.00 55.95 56.75 1nba s SER 124 Cb 0.00 -1.05 0.24 0.00 0.10 0.00 0.00 66.02 65.31 1nba s SER 124 CO 0.00 -1.58 1.89 0.22 0.98 0.00 0.00 173.24 174.74 1nba h TYR 125 N -0.56 1.05 0.00 5.02 3.20 -1.93 -1.80 116.97 121.96 1nba h TYR 125 Ca -0.44 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.44 1nba h TYR 125 Cb 1.31 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 1nba h TYR 125 CO 0.30 0.62 -0.06 -1.49 -1.64 0.00 0.00 178.16 175.89 1nba h TRP 126 N 1.10 0.00 0.00 -3.82 4.06 -1.92 -0.93 115.95 114.44 1nba h TRP 126 Ca 0.33 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.28 1nba h TRP 126 Cb -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.12 1nba h TRP 126 CO -0.02 0.06 0.00 0.00 -3.56 0.00 0.00 178.44 174.93 1nba n ALA 127 N -2.28 2.22 -1.77 1.49 0.00 -0.68 -2.02 120.51 117.47 1nba n ALA 127 Ca -0.02 -0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.02 1nba n ALA 127 Cb 0.17 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.11 1nba n ALA 127 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1nba s GLN 128 N -3.12 4.41 0.35 0.00 1.11 -0.35 -4.76 119.66 117.29 1nba s GLN 128 Ca 0.10 1.64 -0.28 0.00 0.01 0.00 0.00 55.36 56.82 1nba s GLN 128 Cb 0.12 -2.86 -0.11 0.00 -1.01 0.00 0.00 33.01 29.15 1nba s GLN 128 CO 0.58 0.05 1.40 0.42 0.01 0.00 0.00 175.29 177.75 1nba s ILE 129 N -1.42 2.38 0.24 1.08 -1.09 -1.26 -0.35 121.20 120.78 1nba s ILE 129 Ca 0.51 0.38 -0.31 0.00 -2.23 0.00 0.00 60.65 59.00 1nba s ILE 129 Cb -0.27 -3.24 -0.12 0.00 -1.58 0.00 0.00 42.46 37.25 1nba s ILE 129 CO 0.34 0.09 1.64 -0.67 -1.23 0.00 0.00 174.94 175.11 1nba n ASP 130 N 0.74 3.77 -0.28 3.58 -0.08 -0.52 -4.77 116.55 118.98 1nba n ASP 130 Ca 0.01 1.10 0.15 0.00 -1.51 0.00 0.00 54.79 54.54 1nba n ASP 130 Cb 0.40 -1.56 0.42 0.00 2.34 0.00 0.00 41.12 42.73 1nba n ASP 130 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1nba h ASP 131 N 5.77 0.58 0.09 1.67 3.32 -1.92 -0.89 116.42 125.05 1nba h ASP 131 Ca -0.45 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 1nba h ASP 131 Cb 1.22 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 1nba h ASP 131 CO 0.88 0.24 -0.05 0.03 -1.72 0.00 0.00 179.24 178.62 1nba h ARG 132 N 0.59 0.00 -0.34 3.56 3.08 -1.99 -2.59 114.38 116.68 1nba h ARG 132 Ca 0.49 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.28 1nba h ARG 132 Cb 0.97 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.77 1nba h ARG 132 CO -0.24 0.05 -0.75 0.44 -1.07 0.00 0.00 179.97 178.40 1nba n ILE 133 N -4.06 1.97 -1.58 2.04 -5.35 -0.36 -4.98 119.36 107.05 1nba n ILE 133 Ca -0.03 -3.33 -0.47 0.00 -0.27 0.00 0.00 62.75 58.65 1nba n ILE 133 Cb 0.13 -0.27 -0.03 0.00 -1.74 0.00 0.00 39.64 37.73 1nba n ILE 133 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1nba n ALA 134 N -0.72 -0.66 -1.75 -1.28 0.00 -0.98 -4.88 120.51 110.23 1nba n ALA 134 Ca 0.26 0.44 -0.41 0.00 0.00 0.00 0.00 53.44 53.72 1nba n ALA 134 Cb 0.86 -2.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.30 1nba n ALA 134 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1nba n PRO 135 N 1.41 2.49 -2.73 0.00 -0.02 -1.26 -5.02 135.00 129.87 1nba n PRO 135 Ca 0.13 0.87 -0.22 0.00 -2.02 0.00 0.00 63.50 62.27 1nba n PRO 135 Cb 0.27 -2.57 0.03 0.00 -0.02 0.00 0.00 33.50 31.20 1nba n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nba s ALA 136 N -1.12 3.80 0.19 3.55 0.00 -1.26 -5.01 121.76 121.92 1nba s ALA 136 Ca 0.55 -1.20 -0.31 0.00 0.00 0.00 0.00 51.96 51.00 1nba s ALA 136 Cb -0.50 -2.14 -0.09 0.00 0.00 0.00 0.00 23.12 20.39 1nba s ALA 136 CO 0.63 -0.65 1.42 -0.51 0.00 0.00 0.00 175.76 176.65 1nba s ASP 137 N -4.36 6.74 0.00 0.00 1.01 -1.26 -2.06 116.67 116.74 1nba s ASP 137 Ca 0.54 2.52 0.00 0.00 0.71 0.00 0.00 52.55 56.32 1nba s ASP 137 Cb -0.10 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1nba s ASP 137 CO 0.39 -0.67 0.00 0.61 0.21 0.00 0.00 175.17 175.71 1nba n GLY 138 N 2.77 2.93 3.81 0.21 0.00 -1.26 -5.06 105.19 108.59 1nba n GLY 138 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1nba n GLY 138 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nba s GLU 139 N -0.55 4.27 -0.18 1.61 2.02 -0.88 -4.91 118.70 120.09 1nba s GLU 139 Ca 0.00 1.18 -0.07 0.00 0.02 0.00 0.00 54.97 56.10 1nba s GLU 139 Cb 0.00 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.90 1nba s GLU 139 CO 0.00 -0.00 0.05 0.08 0.02 0.00 0.00 175.26 175.41 1nba s VAL 140 N -2.05 4.72 -0.27 2.63 1.01 -1.06 -4.91 120.40 120.46 1nba s VAL 140 Ca 0.60 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.43 1nba s VAL 140 Cb -0.11 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1nba s VAL 140 CO 0.16 0.47 0.13 -0.69 0.00 0.00 0.00 175.10 175.17 1nba s VAL 141 N 0.29 4.70 -0.24 2.92 1.01 -1.26 -0.72 120.40 127.10 1nba s VAL 141 Ca 0.03 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 1nba s VAL 141 Cb -0.12 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1nba s VAL 141 CO 0.00 0.25 0.11 -0.63 0.00 0.00 0.00 175.10 174.83 1nba s ILE 142 N 1.66 4.75 -0.15 2.22 1.01 0.51 -4.97 121.20 126.24 1nba s ILE 142 Ca 0.06 -0.03 -0.24 0.00 0.00 0.00 0.00 60.65 60.45 1nba s ILE 142 Cb -0.16 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 1nba s ILE 142 CO 0.07 0.34 0.74 -1.61 0.00 0.00 0.00 174.94 174.48 1nba s GLU 143 N 1.35 4.31 0.26 2.79 2.02 -1.26 -1.38 118.70 126.78 1nba s GLU 143 Ca 0.06 0.87 0.10 0.00 0.02 0.00 0.00 54.97 56.02 1nba s GLU 143 Cb -0.15 -3.54 -0.05 0.00 0.10 0.00 0.00 34.13 30.49 1nba s GLU 143 CO 0.05 -0.20 -0.17 -1.59 0.02 0.00 0.00 175.26 173.37 1nba s LYS 144 N 1.72 1.56 0.00 1.61 -2.85 -0.33 -4.91 119.74 116.55 1nba s LYS 144 Ca 0.36 -1.72 0.03 0.00 -1.00 0.00 0.00 55.97 53.64 1nba s LYS 144 Cb -0.17 -1.51 -0.02 0.00 -2.06 0.00 0.00 37.83 34.07 1nba s LYS 144 CO 0.13 0.25 0.26 0.09 0.10 0.00 0.00 175.35 176.19 1nba n ASN 145 N -0.55 0.45 -4.32 0.03 5.03 -1.26 -2.61 115.26 112.03 1nba n ASN 145 Ca -0.06 -0.73 -0.17 0.00 0.87 0.00 0.00 54.58 54.50 1nba n ASN 145 Cb 0.60 0.74 -0.10 0.00 -1.02 0.00 0.00 39.78 40.01 1nba n ASN 145 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1nba s ARG 146 N -1.06 1.36 0.13 3.52 1.81 -1.26 -4.93 118.95 118.52 1nba s ARG 146 Ca 0.02 -1.70 -0.31 0.00 -1.72 0.00 0.00 55.73 52.01 1nba s ARG 146 Cb 0.03 -0.47 -0.08 0.00 -0.45 0.00 0.00 34.95 33.97 1nba s ARG 146 CO 0.11 -0.17 1.56 0.00 -0.68 0.00 0.00 175.30 176.12 1nba h ALA 147 N 2.44 -0.71 -2.50 2.13 0.00 -1.95 -3.41 119.26 115.26 1nba h ALA 147 Ca -0.38 -0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.04 1nba h ALA 147 Cb 1.23 1.01 0.05 0.00 0.00 0.00 0.00 17.79 20.08 1nba h ALA 147 CO 0.64 -1.01 0.42 0.45 0.00 0.00 0.00 179.25 179.75 1nba s SER 148 N -4.99 6.06 0.00 0.00 0.15 -1.26 -4.42 113.70 109.23 1nba s SER 148 Ca -0.15 2.09 0.19 0.00 0.70 0.00 0.00 55.95 58.77 1nba s SER 148 Cb 0.09 -2.58 0.95 0.00 -1.71 0.00 0.00 66.02 62.77 1nba s SER 148 CO 0.63 -0.98 1.56 0.00 1.20 0.00 0.00 173.24 175.65 1nba n ALA 149 N -1.03 2.00 -0.09 5.45 0.00 -1.26 -4.01 120.51 121.57 1nba n ALA 149 Ca 0.10 -0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.28 1nba n ALA 149 Cb 0.51 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 1nba n ALA 149 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1nba h PHE 150 N 0.00 0.00 -2.03 0.00 0.04 -1.91 -3.43 116.94 109.60 1nba h PHE 150 Ca 0.00 0.00 -0.62 0.00 2.80 0.00 0.00 57.97 60.15 1nba h PHE 150 Cb 0.17 0.00 0.04 0.00 2.20 0.00 0.00 35.95 38.35 1nba h PHE 150 CO 0.00 1.15 0.87 -0.35 -0.60 0.00 0.00 178.31 179.38 1nba n PRO 151 N -4.50 1.92 -1.23 1.51 -0.04 -1.26 -2.39 135.00 129.02 1nba n PRO 151 Ca -0.24 0.70 -0.08 0.00 -0.04 0.00 0.00 63.50 63.84 1nba n PRO 151 Cb 0.57 -2.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.52 1nba n PRO 151 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nba n GLY 152 N 3.74 0.96 3.51 0.55 0.00 -1.26 -4.57 105.19 108.13 1nba n GLY 152 Ca 0.20 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 1nba n GLY 152 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nba s THR 153 N -2.19 1.04 -0.44 2.61 -4.23 -1.01 -4.90 115.64 106.52 1nba s THR 153 Ca 0.00 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.64 1nba s THR 153 Cb 0.00 -2.59 0.73 0.00 1.34 0.00 0.00 72.50 71.98 1nba s THR 153 CO 0.00 0.00 1.62 -0.46 -0.54 0.00 0.00 174.62 175.24 1nba n ASN 154 N -0.97 5.17 -0.08 3.99 2.04 -1.26 -4.61 115.26 119.54 1nba n ASN 154 Ca -0.05 -2.78 -0.08 0.00 -0.44 0.00 0.00 54.58 51.22 1nba n ASN 154 Cb 0.66 -0.65 -0.01 0.00 -2.53 0.00 0.00 39.78 37.25 1nba n ASN 154 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 1nba h LEU 155 N 3.63 0.18 -1.90 -4.53 5.85 -1.86 -1.19 115.31 115.49 1nba h LEU 155 Ca 0.00 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1nba h LEU 155 Cb 1.78 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.79 1nba h LEU 155 CO 0.42 0.14 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.50 1nba h GLU 156 N 0.28 0.00 -0.26 1.25 4.81 -1.89 -1.73 114.58 117.05 1nba h GLU 156 Ca 0.12 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1nba h GLU 156 Cb 0.06 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1nba h GLU 156 CO -0.10 0.08 0.10 -0.07 -0.73 0.00 0.00 179.01 178.29 1nba h LEU 157 N 0.00 0.36 0.47 1.64 3.38 -1.55 -1.04 115.31 118.57 1nba h LEU 157 Ca -0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1nba h LEU 157 Cb 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1nba h LEU 157 CO 0.01 0.43 -0.23 -0.26 0.09 0.00 0.00 178.44 178.48 1nba h PHE 158 N 0.26 -0.59 -0.61 1.13 0.04 -1.18 -1.66 116.94 114.34 1nba h PHE 158 Ca 0.08 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 1nba h PHE 158 Cb 0.19 0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 1nba h PHE 158 CO -0.01 -0.34 0.36 -0.07 -0.60 0.00 0.00 178.31 177.65 1nba h LEU 159 N -0.68 0.74 0.23 1.54 3.38 -1.28 -0.04 115.31 119.20 1nba h LEU 159 Ca -0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1nba h LEU 159 Cb 0.51 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1nba h LEU 159 CO 0.11 0.59 -0.11 0.74 0.09 0.00 0.00 178.44 179.85 1nba h THR 160 N 0.82 0.51 -0.72 0.22 2.02 -1.25 -1.59 112.91 112.92 1nba h THR 160 Ca 0.22 -0.96 0.15 0.00 0.77 0.00 0.00 66.41 66.59 1nba h THR 160 Cb -0.01 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 1nba h THR 160 CO -0.04 0.13 0.49 0.28 0.37 0.00 0.00 175.52 176.75 1nba h SER 161 N -0.97 0.35 -0.64 4.18 0.02 -1.27 -0.88 113.55 114.34 1nba h SER 161 Ca -0.03 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1nba h SER 161 Cb 0.46 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1nba h SER 161 CO 0.05 0.18 0.00 0.59 -1.14 0.00 0.00 176.83 176.51 1nba n ASN 162 N -4.47 4.33 -3.65 3.07 5.03 -0.03 -4.98 115.26 114.56 1nba n ASN 162 Ca 0.14 -2.28 -0.24 0.00 0.87 0.00 0.00 54.58 53.07 1nba n ASN 162 Cb 0.53 -0.52 0.07 0.00 -1.02 0.00 0.00 39.78 38.84 1nba n ASN 162 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1nba n ARG 163 N 1.21 -6.91 -2.51 3.52 3.00 -0.34 -4.98 116.66 109.65 1nba n ARG 163 Ca 0.24 0.76 -0.41 0.00 -0.01 0.00 0.00 57.85 58.44 1nba n ARG 163 Cb 0.76 -5.73 -0.04 0.00 0.00 0.00 0.00 32.46 27.45 1nba n ARG 163 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1nba s ILE 164 N -3.36 3.68 -0.29 0.55 -1.09 -0.64 -4.48 121.20 115.57 1nba s ILE 164 Ca 0.44 1.58 0.08 0.00 -2.23 0.00 0.00 60.65 60.52 1nba s ILE 164 Cb -0.20 -4.01 -0.09 0.00 -1.58 0.00 0.00 42.46 36.58 1nba s ILE 164 CO 0.76 0.33 0.29 -0.90 -1.23 0.00 0.00 174.94 174.20 1nba n ASP 165 N 1.70 0.95 -4.03 3.58 5.68 0.26 -4.86 116.55 119.83 1nba n ASP 165 Ca 0.00 -0.54 -0.16 0.00 -0.50 0.00 0.00 54.79 53.59 1nba n ASP 165 Cb 0.45 1.07 -0.14 0.00 -1.14 0.00 0.00 41.12 41.37 1nba n ASP 165 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1nba s THR 166 N -1.89 0.62 -0.15 2.12 2.01 -1.13 -1.28 115.64 115.94 1nba s THR 166 Ca 0.02 -0.58 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 1nba s THR 166 Cb 0.06 -0.57 0.04 0.00 0.01 0.00 0.00 72.50 72.04 1nba s THR 166 CO 0.31 0.00 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.98 1nba s LEU 167 N -0.63 1.44 -0.26 4.42 2.96 0.24 -1.78 118.68 125.07 1nba s LEU 167 Ca -0.01 -0.56 -0.20 0.00 -0.22 0.00 0.00 54.13 53.15 1nba s LEU 167 Cb -0.05 -0.85 -0.02 0.00 0.50 0.00 0.00 46.19 45.77 1nba s LEU 167 CO 0.00 -0.18 0.62 -0.63 -1.32 0.00 0.00 176.35 174.84 1nba s ILE 168 N 1.68 4.99 -0.16 6.68 1.01 -0.52 -0.91 121.20 133.96 1nba s ILE 168 Ca 0.02 1.09 -0.02 0.00 0.00 0.00 0.00 60.65 61.73 1nba s ILE 168 Cb -0.15 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 1nba s ILE 168 CO -0.08 0.02 -0.08 -0.69 0.00 0.00 0.00 174.94 174.11 1nba s VAL 169 N 2.49 3.36 0.38 2.92 1.01 -0.36 -0.63 120.40 129.56 1nba s VAL 169 Ca 0.26 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.75 1nba s VAL 169 Cb -0.15 -2.46 -0.06 0.00 0.00 0.00 0.00 36.38 33.70 1nba s VAL 169 CO 0.09 0.49 0.04 0.42 0.00 0.00 0.00 175.10 176.14 1nba s THR 170 N 0.68 1.44 -1.76 3.92 -4.23 -0.44 -4.11 115.64 111.14 1nba s THR 170 Ca -0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 1nba s THR 170 Cb -0.15 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.91 1nba s THR 170 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 1nba n GLY 171 N -0.85 0.63 3.21 3.99 0.00 -0.41 -1.23 105.19 110.52 1nba n GLY 171 Ca -0.05 -2.15 -0.25 0.00 0.00 0.00 0.00 46.02 43.57 1nba n GLY 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nba s ALA 172 N -1.65 1.59 0.34 4.61 0.00 -0.55 -1.44 121.76 124.65 1nba s ALA 172 Ca 0.00 -0.93 0.08 0.00 0.00 0.00 0.00 51.96 51.11 1nba s ALA 172 Cb 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1nba s ALA 172 CO 0.00 0.36 0.22 0.95 0.00 0.00 0.00 175.76 177.29 1nba s THR 173 N -0.68 3.32 0.17 0.00 -4.23 -1.26 -4.26 115.64 108.69 1nba s THR 173 Ca 0.06 -1.52 -0.13 0.00 -1.18 0.00 0.00 61.69 58.92 1nba s THR 173 Cb -0.08 -3.09 0.06 0.00 1.34 0.00 0.00 72.50 70.73 1nba s THR 173 CO 0.01 -0.18 1.78 0.00 -0.54 0.00 0.00 174.62 175.69 1nba h ALA 174 N 1.40 0.70 -0.08 3.99 0.00 -1.48 0.09 119.26 123.88 1nba h ALA 174 Ca -0.44 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1nba h ALA 174 Cb 1.25 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1nba h ALA 174 CO 0.61 0.22 0.00 0.00 0.00 0.00 0.00 179.25 180.08 1nba n ALA 175 N -2.30 2.60 -2.00 0.00 0.00 -1.26 -3.21 120.51 114.35 1nba n ALA 175 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1nba n ALA 175 Cb 0.08 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1nba n ALA 175 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nba n GLY 176 N 0.31 1.99 0.31 0.00 0.00 -1.14 -4.97 105.19 101.69 1nba n GLY 176 Ca 0.03 -0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.12 1nba n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nba h VAL 178 N 0.42 1.38 0.35 0.00 2.07 -1.15 -2.56 116.25 116.75 1nba h VAL 178 Ca 0.15 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 1nba h VAL 178 Cb 0.08 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1nba h VAL 178 CO -0.03 0.34 -0.17 -0.09 0.02 0.00 0.00 177.57 177.63 1nba h ARG 179 N -0.31 -0.46 -0.78 1.57 2.43 -1.47 -1.66 114.38 113.69 1nba h ARG 179 Ca 0.01 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.32 1nba h ARG 179 Cb 0.57 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 30.15 1nba h ARG 179 CO 0.01 -0.25 0.40 1.25 -1.51 0.00 0.00 179.97 179.87 1nba h HIS 180 N -0.56 0.72 -0.57 2.20 2.76 -1.54 -1.06 115.15 117.10 1nba h HIS 180 Ca -0.05 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1nba h HIS 180 Cb 0.42 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 29.14 1nba h HIS 180 CO -0.03 0.23 0.35 1.15 -1.30 0.00 0.00 177.93 178.33 1nba h THR 181 N 0.64 1.08 -0.22 6.26 2.02 -1.18 -1.36 112.91 120.15 1nba h THR 181 Ca 0.40 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 67.31 1nba h THR 181 Cb 0.47 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1nba h THR 181 CO -0.30 0.13 0.04 0.58 0.37 0.00 0.00 175.52 176.33 1nba h VAL 182 N 0.70 1.23 0.00 3.16 2.07 -0.26 -0.85 116.25 122.29 1nba h VAL 182 Ca 0.22 -0.75 -0.11 0.00 0.82 0.00 0.00 66.70 66.88 1nba h VAL 182 Cb -0.00 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1nba h VAL 182 CO -0.09 0.24 -0.54 1.05 0.02 0.00 0.00 177.57 178.25 1nba h GLU 183 N 0.17 0.00 -0.49 1.57 4.11 -1.24 -1.85 114.58 116.85 1nba h GLU 183 Ca 0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.48 1nba h GLU 183 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1nba h GLU 183 CO 0.00 0.54 0.25 -0.44 0.07 0.00 0.00 179.01 179.43 1nba h ASP 184 N 0.00 0.63 -0.37 3.06 5.19 -1.08 -2.48 116.42 121.38 1nba h ASP 184 Ca -0.01 -0.11 0.01 0.00 -0.62 0.00 0.00 57.03 56.30 1nba h ASP 184 Cb 0.97 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.30 1nba h ASP 184 CO 0.07 0.56 0.22 0.00 -3.12 0.00 0.00 179.24 176.98 1nba h ALA 185 N 1.09 0.46 -0.29 3.45 0.00 -0.37 0.25 119.26 123.85 1nba h ALA 185 Ca 0.17 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1nba h ALA 185 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1nba h ALA 185 CO -0.02 -0.12 -0.24 0.97 0.00 0.00 0.00 179.25 179.84 1nba h ILE 186 N 0.45 1.27 -0.08 0.00 2.10 -1.28 0.13 117.51 120.10 1nba h ILE 186 Ca 0.14 -1.28 0.00 0.00 1.08 0.00 0.00 64.86 64.80 1nba h ILE 186 Cb -0.01 1.31 -0.00 0.00 -1.09 0.00 0.00 36.82 37.02 1nba h ILE 186 CO -0.06 0.41 0.05 0.00 -1.08 0.00 0.00 178.15 177.48 1nba h ALA 187 N 1.25 0.11 0.00 0.18 0.00 -0.92 -2.69 119.26 117.18 1nba h ALA 187 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1nba h ALA 187 Cb 0.68 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1nba h ALA 187 CO 0.05 -0.39 -0.18 0.87 0.00 0.00 0.00 179.25 179.59 1nba h LYS 188 N 0.10 0.00 0.00 0.00 6.56 -0.79 -3.46 116.57 118.98 1nba h LYS 188 Ca 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1nba h LYS 188 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1nba h LYS 188 CO -0.01 0.18 0.00 0.41 -2.06 0.00 0.00 179.45 177.98 1nba n GLY 189 N -0.22 1.89 3.05 3.86 0.00 -0.64 -5.09 105.19 108.05 1nba n GLY 189 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1nba n GLY 189 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nba s PHE 190 N -1.89 1.62 -0.31 1.61 0.08 0.35 -4.90 117.98 114.54 1nba s PHE 190 Ca 0.00 -0.62 -0.29 0.00 0.12 0.00 0.00 56.93 56.15 1nba s PHE 190 Cb 0.00 -1.17 -0.01 0.00 -0.57 0.00 0.00 43.02 41.27 1nba s PHE 190 CO 0.00 -0.30 1.62 1.03 -0.10 0.00 0.00 175.22 177.47 1nba s ARG 191 N 0.64 3.57 -0.14 0.44 0.52 -0.40 -2.97 118.95 120.61 1nba s ARG 191 Ca -0.15 1.37 -0.25 0.00 -0.52 0.00 0.00 55.73 56.18 1nba s ARG 191 Cb -0.16 -4.09 -0.02 0.00 0.52 0.00 0.00 34.95 31.20 1nba s ARG 191 CO 0.04 -1.57 0.82 -2.14 0.02 0.00 0.00 175.30 172.48 1nba s PRO 192 N 5.09 4.34 -0.13 3.54 0.02 -1.26 -0.59 135.00 146.00 1nba s PRO 192 Ca 0.71 1.03 0.01 0.00 0.02 0.00 0.00 61.00 62.77 1nba s PRO 192 Cb -0.21 -3.55 -0.01 0.00 0.02 0.00 0.00 34.50 30.76 1nba s PRO 192 CO 0.32 -0.25 -0.16 0.42 -0.33 0.00 0.00 177.00 177.00 1nba s ILE 193 N 1.87 2.73 -0.30 2.83 -1.09 -0.09 -1.50 121.20 125.64 1nba s ILE 193 Ca 0.39 -0.77 -0.01 0.00 -2.23 0.00 0.00 60.65 58.03 1nba s ILE 193 Cb -0.17 -2.13 0.05 0.00 -1.58 0.00 0.00 42.46 38.63 1nba s ILE 193 CO 0.14 0.53 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.74 1nba s ILE 194 N 0.53 2.86 -0.51 2.92 1.09 -0.16 -1.23 121.20 126.70 1nba s ILE 194 Ca -0.10 -1.46 -0.27 0.00 -1.10 0.00 0.00 60.65 57.72 1nba s ILE 194 Cb -0.16 -2.67 -0.03 0.00 -1.06 0.00 0.00 42.46 38.55 1nba s ILE 194 CO 0.04 -0.12 1.91 -2.84 -0.10 0.00 0.00 174.94 173.83 1nba s PRO 195 N 1.22 2.78 0.32 2.79 0.02 -1.26 -0.78 135.00 140.09 1nba s PRO 195 Ca -0.05 0.95 0.09 0.00 0.02 0.00 0.00 61.00 62.01 1nba s PRO 195 Cb -0.20 -4.35 0.92 0.00 0.02 0.00 0.00 34.50 30.89 1nba s PRO 195 CO -0.02 -2.53 1.66 -0.09 -0.33 0.00 0.00 177.00 175.69 1nba h ARG 196 N 14.88 0.30 0.00 5.54 2.43 -0.98 -0.11 114.38 136.43 1nba h ARG 196 Ca -0.28 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1nba h ARG 196 Cb 1.18 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1nba h ARG 196 CO 1.15 0.20 0.00 0.39 -1.51 0.00 0.00 179.97 180.20 1nba n GLU 197 N -5.10 0.14 -0.36 0.20 4.71 -1.26 -2.48 120.64 116.49 1nba n GLU 197 Ca 0.27 0.36 0.11 0.00 -0.01 0.00 0.00 57.16 57.89 1nba n GLU 197 Cb 0.85 -1.75 0.30 0.00 -1.01 0.00 0.00 31.44 29.83 1nba n GLU 197 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1nba n THR 198 N -2.01 1.03 -3.76 2.62 -2.24 -0.06 -4.09 114.28 105.77 1nba n THR 198 Ca 0.03 -1.01 -0.35 0.00 -2.27 0.00 0.00 64.05 60.45 1nba n THR 198 Cb 0.22 0.48 -0.09 0.00 -2.10 0.00 0.00 70.33 68.85 1nba n THR 198 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1nba s ILE 199 N -1.03 5.29 0.37 2.28 -1.09 -1.03 -1.29 121.20 124.70 1nba s ILE 199 Ca 0.46 0.15 0.04 0.00 -2.23 0.00 0.00 60.65 59.07 1nba s ILE 199 Cb 0.24 -3.42 -0.05 0.00 -1.58 0.00 0.00 42.46 37.65 1nba s ILE 199 CO 0.31 0.43 0.07 -0.83 -1.23 0.00 0.00 174.94 173.69 1nba s GLY 200 N 0.48 2.34 0.14 6.18 0.00 -0.52 -4.94 107.32 110.99 1nba s GLY 200 Ca 0.07 -1.69 -0.13 0.00 0.00 0.00 0.00 44.72 42.97 1nba s GLY 200 CO -0.01 -1.87 0.64 1.34 0.00 0.00 0.00 173.10 173.20 1nba n ASP 201 N -0.93 -1.17 0.00 1.64 -0.08 -1.26 -1.37 116.55 113.38 1nba n ASP 201 Ca -0.05 -1.65 0.00 0.00 -1.51 0.00 0.00 54.79 51.58 1nba n ASP 201 Cb 0.66 1.91 0.00 0.00 2.34 0.00 0.00 41.12 46.03 1nba n ASP 201 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1nba n ARG 202 N -0.45 0.39 -4.22 -0.67 1.85 -1.26 -4.12 116.66 108.18 1nba n ARG 202 Ca -0.02 -0.65 -0.13 0.00 -1.00 0.00 0.00 57.85 56.06 1nba n ARG 202 Cb 0.38 -0.82 -0.10 0.00 -1.05 0.00 0.00 32.46 30.87 1nba n ARG 202 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1nba s VAL 203 N -0.26 0.51 0.54 8.89 -7.23 -1.26 -4.98 120.40 116.62 1nba s VAL 203 Ca 0.00 -1.96 -0.19 0.00 -1.81 0.00 0.00 61.98 58.01 1nba s VAL 203 Cb 0.00 -2.12 -0.06 0.00 0.56 0.00 0.00 36.38 34.75 1nba s VAL 203 CO 0.00 -0.45 1.12 -2.16 -0.31 0.00 0.00 175.10 173.30 1nba s PRO 204 N -3.96 3.40 0.00 4.82 0.04 -1.26 -4.18 135.00 133.86 1nba s PRO 204 Ca 0.25 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1nba s PRO 204 Cb 0.07 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1nba s PRO 204 CO 0.04 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 176.68 1nba n GLY 205 N 0.10 1.57 0.33 0.56 0.00 -1.26 -4.82 105.19 101.67 1nba n GLY 205 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 1nba n GLY 205 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1nba h VAL 206 N 0.00 0.68 -0.28 1.61 -1.51 -2.00 -1.32 116.25 113.44 1nba h VAL 206 Ca 0.00 -0.22 -0.02 0.00 -1.23 0.00 0.00 66.70 65.23 1nba h VAL 206 Cb 0.00 -0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 29.12 1nba h VAL 206 CO 0.00 0.12 0.11 0.58 -1.23 0.00 0.00 177.57 177.15 1nba h VAL 207 N 0.65 1.17 0.84 7.19 2.07 -1.87 0.34 116.25 126.64 1nba h VAL 207 Ca 0.53 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1nba h VAL 207 Cb 0.82 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1nba h VAL 207 CO -0.40 0.18 -0.46 1.56 0.02 0.00 0.00 177.57 178.48 1nba h GLN 208 N 0.30 -1.16 -0.11 1.57 4.20 -1.69 -0.15 115.11 118.08 1nba h GLN 208 Ca 0.09 0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.76 1nba h GLN 208 Cb 0.18 0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1nba h GLN 208 CO -0.01 -0.77 -0.45 0.11 -0.67 0.00 0.00 178.83 177.04 1nba h TRP 209 N -1.20 0.32 -0.31 2.96 0.09 -1.26 -1.87 115.95 114.67 1nba h TRP 209 Ca -0.11 -0.09 -0.16 0.00 0.09 0.00 0.00 58.89 58.61 1nba h TRP 209 Cb 0.94 -0.07 -0.01 0.00 0.08 0.00 0.00 29.16 30.11 1nba h TRP 209 CO -0.06 0.68 -0.44 -0.91 0.09 0.00 0.00 178.44 177.80 1nba h ASN 210 N 0.22 0.87 0.27 0.11 4.21 -0.90 -0.82 115.58 119.53 1nba h ASN 210 Ca 0.01 -0.41 -0.11 0.00 1.21 0.00 0.00 56.30 57.01 1nba h ASN 210 Cb 0.89 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.83 1nba h ASN 210 CO 0.07 1.18 -0.42 -0.07 -1.29 0.00 0.00 177.43 176.89 1nba h LEU 211 N 0.65 0.21 0.67 1.61 3.38 -0.85 -1.21 115.31 119.76 1nba h LEU 211 Ca 0.04 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1nba h LEU 211 Cb 1.01 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.70 1nba h LEU 211 CO 0.10 0.62 -0.32 0.22 0.09 0.00 0.00 178.44 179.14 1nba h TYR 212 N 0.17 -0.84 -0.90 1.13 3.20 -1.14 -0.94 116.97 117.66 1nba h TYR 212 Ca 0.01 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1nba h TYR 212 Cb 0.82 0.28 -0.07 0.00 1.54 0.00 0.00 36.73 39.30 1nba h TYR 212 CO 0.01 -0.51 0.55 -0.44 -1.64 0.00 0.00 178.16 176.13 1nba h ASP 213 N -0.92 0.83 -0.29 -2.11 3.32 -1.03 -1.52 116.42 114.70 1nba h ASP 213 Ca -0.09 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1nba h ASP 213 Cb 0.70 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1nba h ASP 213 CO 0.15 0.49 0.14 0.40 -1.72 0.00 0.00 179.24 178.70 1nba h ILE 214 N 0.95 1.15 0.00 0.35 2.04 -1.14 -2.93 117.51 117.93 1nba h ILE 214 Ca 0.42 -0.44 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 1nba h ILE 214 Cb 0.30 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1nba h ILE 214 CO -0.22 0.16 -0.27 -0.78 0.00 0.00 0.00 178.15 177.04 1nba h ASP 215 N 0.33 0.00 -0.13 1.72 3.58 -0.34 0.20 116.42 121.78 1nba h ASP 215 Ca 0.10 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.39 1nba h ASP 215 Cb 0.13 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1nba h ASP 215 CO -0.01 0.27 -0.47 0.78 -2.88 0.00 0.00 179.24 176.93 1nba h ASN 216 N 0.00 0.75 0.00 2.28 2.35 -1.13 -3.42 115.58 116.41 1nba h ASN 216 Ca -0.00 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1nba h ASN 216 Cb 0.63 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1nba h ASN 216 CO 0.04 1.10 -0.06 0.29 -1.65 0.00 0.00 177.43 177.15 1nba n LYS 217 N -4.01 2.49 0.00 0.81 5.02 -1.08 -2.12 118.16 119.27 1nba n LYS 217 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1nba n LYS 217 Cb 0.57 -0.25 0.00 0.00 -0.02 0.00 0.00 35.03 35.33 1nba n LYS 217 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1nba n PHE 218 N -0.31 0.00 -3.84 2.13 3.72 0.63 -5.07 117.46 114.72 1nba n PHE 218 Ca 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 1nba n PHE 218 Cb 0.00 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.56 1nba n PHE 218 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1nba s GLY 219 N -2.43 0.23 -0.24 1.37 0.00 -0.68 -4.59 107.32 100.98 1nba s GLY 219 Ca 0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 44.72 44.09 1nba s GLY 219 CO 0.00 0.74 0.11 0.99 0.00 0.00 0.00 173.10 174.94 1nba s ASP 220 N -3.18 5.65 -0.22 1.64 1.01 -0.56 -3.90 116.67 117.10 1nba s ASP 220 Ca 0.17 -0.03 -0.24 0.00 0.71 0.00 0.00 52.55 53.16 1nba s ASP 220 Cb -0.04 -2.01 -0.01 0.00 1.01 0.00 0.00 42.92 41.86 1nba s ASP 220 CO 0.09 0.03 0.78 -0.69 0.21 0.00 0.00 175.17 175.58 1nba s VAL 221 N 1.27 4.89 0.38 -1.27 1.01 -1.26 -0.99 120.40 124.43 1nba s VAL 221 Ca 0.06 1.47 0.04 0.00 0.00 0.00 0.00 61.98 63.55 1nba s VAL 221 Cb -0.14 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 1nba s VAL 221 CO 0.05 -0.01 0.06 -1.61 0.00 0.00 0.00 175.10 173.59 1nba s GLU 222 N 2.49 1.83 0.50 2.72 0.41 0.04 -4.93 118.70 121.76 1nba s GLU 222 Ca 0.34 -2.06 -0.06 0.00 -0.41 0.00 0.00 54.97 52.77 1nba s GLU 222 Cb -0.16 -1.01 -0.04 0.00 -1.78 0.00 0.00 34.13 31.14 1nba s GLU 222 CO 0.09 -0.25 0.83 -1.54 -0.49 0.00 0.00 175.26 173.90 1nba s SER 223 N -3.60 6.26 0.36 -0.19 1.04 -1.26 -0.32 113.70 116.00 1nba s SER 223 Ca 0.30 1.01 0.09 0.00 0.48 0.00 0.00 55.95 57.83 1nba s SER 223 Cb 0.07 -2.28 0.70 0.00 0.10 0.00 0.00 66.02 64.61 1nba s SER 223 CO 0.14 -0.63 1.85 0.74 0.98 0.00 0.00 173.24 176.33 1nba h THR 224 N 0.13 1.22 -0.74 2.02 2.02 -1.93 -2.01 112.91 113.63 1nba h THR 224 Ca -0.46 -1.02 -0.00 0.00 0.77 0.00 0.00 66.41 65.69 1nba h THR 224 Cb 1.20 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.97 1nba h THR 224 CO 0.62 0.31 0.45 0.44 0.37 0.00 0.00 175.52 177.71 1nba h ASP 225 N 0.18 0.88 0.02 4.18 3.32 -1.99 0.13 116.42 123.14 1nba h ASP 225 Ca 0.03 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1nba h ASP 225 Cb 0.52 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1nba h ASP 225 CO 0.04 0.67 -0.01 -1.28 -1.72 0.00 0.00 179.24 176.94 1nba h SER 226 N 1.00 -0.02 -0.76 6.45 0.87 -1.77 0.67 113.55 119.99 1nba h SER 226 Ca 0.26 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1nba h SER 226 Cb -0.05 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 61.88 1nba h SER 226 CO -0.05 0.02 0.43 0.58 -0.53 0.00 0.00 176.83 177.27 1nba h VAL 227 N -0.06 1.23 -0.56 2.23 2.07 -0.89 -0.70 116.25 119.57 1nba h VAL 227 Ca -0.00 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 1nba h VAL 227 Cb 0.06 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1nba h VAL 227 CO 0.00 0.25 0.07 0.58 0.02 0.00 0.00 177.57 178.50 1nba h VAL 228 N 1.05 1.26 -0.63 2.57 2.07 -0.49 -1.64 116.25 120.43 1nba h VAL 228 Ca 0.27 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1nba h VAL 228 Cb 0.02 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1nba h VAL 228 CO -0.05 0.36 0.34 -0.61 0.02 0.00 0.00 177.57 177.63 1nba h GLN 229 N 0.83 0.89 0.05 1.57 4.15 -0.30 0.07 115.11 122.35 1nba h GLN 229 Ca 0.17 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 59.50 1nba h GLN 229 Cb 0.44 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 1nba h GLN 229 CO 0.01 0.68 -0.18 -0.92 -1.93 0.00 0.00 178.83 176.50 1nba h TYR 230 N 0.86 -0.46 -0.39 3.99 3.20 -0.74 -1.60 116.97 121.83 1nba h TYR 230 Ca 0.22 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.04 1nba h TYR 230 Cb 0.06 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1nba h TYR 230 CO -0.01 -0.26 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.17 1nba h LEU 231 N -0.31 0.59 -1.35 2.82 3.38 -1.03 -2.00 115.31 117.40 1nba h LEU 231 Ca 0.04 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1nba h LEU 231 Cb 0.36 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1nba h LEU 231 CO -0.14 0.68 -0.31 0.44 0.09 0.00 0.00 178.44 179.20 1nba h ASP 232 N 0.59 0.00 1.44 -0.43 3.32 -0.67 -2.65 116.42 118.02 1nba h ASP 232 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1nba h ASP 232 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1nba h ASP 232 CO 0.02 0.31 -0.27 0.00 -1.72 0.00 0.00 179.24 177.58 1nba h ALA 233 N 1.69 0.84 -2.68 3.45 0.00 -0.60 -3.48 119.26 118.49 1nba h ALA 233 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1nba h ALA 233 Cb 0.62 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.54 1nba h ALA 233 CO 0.04 0.00 0.42 -0.11 0.00 0.00 0.00 179.25 179.60 1nba n LEU 234 N -2.54 3.84 -4.57 0.00 7.94 -0.86 -5.03 117.00 115.79 1nba n LEU 234 Ca 0.04 1.07 -0.29 0.00 -1.11 0.00 0.00 56.01 55.73 1nba n LEU 234 Cb 0.48 -1.47 0.22 0.00 0.53 0.00 0.00 43.42 43.17 1nba n LEU 234 CO 0.34 -0.85 0.57 -2.16 -1.11 0.00 0.00 177.39 174.18 1nba s PRO 235 N -2.24 -0.31 0.32 1.96 0.04 -1.26 -4.97 135.00 128.54 1nba s PRO 235 Ca 0.63 0.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.12 1nba s PRO 235 Cb -0.51 -1.63 -0.12 0.00 0.04 0.00 0.00 34.50 32.28 1nba s PRO 235 CO 0.57 -3.29 1.44 1.04 0.04 0.00 0.00 177.00 176.79 1nba n GLN 236 N -4.60 2.38 -0.18 4.56 1.13 -1.26 -4.84 117.38 114.57 1nba n GLN 236 Ca 0.04 0.84 -0.03 0.00 -1.94 0.00 0.00 57.00 55.91 1nba n GLN 236 Cb 0.55 -2.52 0.04 0.00 0.11 0.00 0.00 30.24 28.42 1nba n GLN 236 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1nba h PHE 237 N 3.52 -0.48 -0.34 1.08 3.57 -0.92 0.52 116.94 123.89 1nba h PHE 237 Ca -0.47 0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.18 1nba h PHE 237 Cb 1.26 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 40.28 1nba h PHE 237 CO 0.54 -0.29 0.75 1.05 -2.23 0.00 0.00 178.31 178.13 1nba h GLU 238 N -0.07 0.00 -0.01 1.11 4.11 -1.89 -0.73 114.58 117.10 1nba h GLU 238 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 1nba h GLU 238 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1nba h GLU 238 CO -0.61 0.00 -0.42 -0.25 0.07 0.00 0.00 179.01 177.81 1nba n ASP 239 N -3.05 1.92 -4.83 3.06 8.00 0.17 -5.00 116.55 116.82 1nba n ASP 239 Ca 0.07 -1.46 -0.33 0.00 0.71 0.00 0.00 54.79 53.78 1nba n ASP 239 Cb 0.87 0.46 -0.06 0.00 -0.02 0.00 0.00 41.12 42.37 1nba n ASP 239 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1nba s THR 240 N -2.27 4.52 -0.02 -3.53 -4.23 -0.28 -4.99 115.64 104.84 1nba s THR 240 Ca 0.17 1.24 0.04 0.00 -1.18 0.00 0.00 61.69 61.96 1nba s THR 240 Cb 0.16 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.38 1nba s THR 240 CO 0.51 -0.31 -0.15 0.68 -0.54 0.00 0.00 174.62 174.81 1nba s VAL 241 N -2.16 1.19 0.77 2.29 -7.23 -1.26 -4.97 120.40 109.02 1nba s VAL 241 Ca 0.59 -0.61 -0.13 0.00 -1.81 0.00 0.00 61.98 60.01 1nba s VAL 241 Cb -0.10 -1.01 0.06 0.00 0.56 0.00 0.00 36.38 35.90 1nba s VAL 241 CO 0.17 0.34 1.15 -2.16 -0.31 0.00 0.00 175.10 174.29 1nba s PRO 242 N -0.14 2.05 -0.14 4.82 0.04 -1.26 -4.49 135.00 135.87 1nba s PRO 242 Ca 0.01 1.50 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 1nba s PRO 242 Cb -0.08 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 1nba s PRO 242 CO 0.00 -1.85 1.05 0.15 0.04 0.00 0.00 177.00 176.40 1nba s LYS 243 N -4.34 4.36 0.41 4.56 1.02 -1.26 -4.95 119.74 119.53 1nba s LYS 243 Ca 0.68 1.43 0.26 0.00 0.02 0.00 0.00 55.97 58.36 1nba s LYS 243 Cb -0.23 -3.59 0.76 0.00 -0.52 0.00 0.00 37.83 34.25 1nba s LYS 243 CO 0.50 -0.45 1.75 1.79 -0.92 0.00 0.00 175.35 178.02 1nba h THR 244 N 5.22 0.00 -4.12 2.17 1.35 -2.03 -3.47 112.91 112.03 1nba h THR 244 Ca -0.27 -0.70 -0.34 0.00 -0.55 0.00 0.00 66.41 64.55 1nba h THR 244 Cb 1.12 1.67 -0.09 0.00 -1.73 0.00 0.00 68.15 69.12 1nba h THR 244 CO 0.90 0.00 -0.30 0.18 -0.25 0.00 0.00 175.52 176.06 1nba n LEU 245 N -2.85 0.00 -4.75 3.87 4.77 -1.26 -5.15 117.00 111.63 1nba n LEU 245 Ca 0.03 -2.53 -0.32 0.00 -0.03 0.00 0.00 56.01 53.17 1nba n LEU 245 Cb 0.42 1.63 0.09 0.00 -2.33 0.00 0.00 43.42 43.23 1nba n LEU 245 CO 0.30 -0.47 0.72 -0.55 -1.33 0.00 0.00 177.39 176.06 1nba s SER 246 N -2.88 4.47 0.45 -1.43 0.15 -1.26 -5.02 113.70 108.18 1nba s SER 246 Ca 0.30 1.96 -0.22 0.00 0.70 0.00 0.00 55.95 58.69 1nba s SER 246 Cb 0.01 -2.54 -0.08 0.00 -1.71 0.00 0.00 66.02 61.69 1nba s SER 246 CO 0.21 -2.06 1.06 -1.81 1.20 0.00 0.00 173.24 171.85 1nba s ASP 247 N -2.95 6.45 0.33 5.45 1.01 -1.26 -4.99 116.67 120.71 1nba s ASP 247 Ca 0.65 2.03 -0.29 0.00 0.71 0.00 0.00 52.55 55.64 1nba s ASP 247 Cb -0.20 -2.58 -0.12 0.00 1.01 0.00 0.00 42.92 41.04 1nba s ASP 247 CO 0.51 -0.71 1.47 -0.81 0.21 0.00 0.00 175.17 175.85 1nba n PRO 248 N -0.58 2.50 -4.42 8.23 -0.04 -1.26 -5.03 135.00 134.40 1nba n PRO 248 Ca 0.07 0.88 -0.27 0.00 -0.04 0.00 0.00 63.50 64.14 1nba n PRO 248 Cb 0.51 -2.59 -0.12 0.00 -0.04 0.00 0.00 33.50 31.26 1nba n PRO 248 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1nba s GLN 249 N -1.33 1.51 -0.40 0.54 -1.52 -1.26 -5.08 119.66 112.12 1nba s GLN 249 Ca 0.59 -1.49 -0.27 0.00 -1.95 0.00 0.00 55.36 52.24 1nba s GLN 249 Cb -0.52 -1.86 -0.04 0.00 -0.22 0.00 0.00 33.01 30.37 1nba s GLN 249 CO 0.57 0.41 2.11 -1.25 -0.25 0.00 0.00 175.29 176.88 1nba s PRO 250 N -2.56 2.77 0.02 2.91 0.04 -1.26 -4.95 135.00 131.97 1nba s PRO 250 Ca 0.20 1.44 -0.28 0.00 0.04 0.00 0.00 61.00 62.40 1nba s PRO 250 Cb -0.08 -4.40 -0.04 0.00 0.04 0.00 0.00 34.50 30.01 1nba s PRO 250 CO 0.09 -2.52 0.88 -1.21 0.04 0.00 0.00 177.00 174.28 1nba s GLU 251 N 6.90 4.56 0.24 4.56 2.02 -1.26 -5.03 118.70 130.69 1nba s GLU 251 Ca 0.89 1.25 -0.18 0.00 0.02 0.00 0.00 54.97 56.95 1nba s GLU 251 Cb -0.22 -3.42 -0.08 0.00 0.10 0.00 0.00 34.13 30.51 1nba s GLU 251 CO 0.29 0.11 0.71 0.08 0.02 0.00 0.00 175.26 176.47 1nba s VAL 252 N 0.50 4.61 -0.30 2.63 1.01 -1.26 -5.02 120.40 122.57 1nba s VAL 252 Ca 0.45 1.18 -0.29 0.00 0.00 0.00 0.00 61.98 63.32 1nba s VAL 252 Cb -0.21 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1nba s VAL 252 CO 0.26 0.12 1.47 -1.83 0.00 0.00 0.00 175.10 175.12 1nba s GLU 253 N -2.20 3.76 -0.07 2.72 1.03 -1.26 -4.99 118.70 117.69 1nba s GLU 253 Ca 0.45 1.34 -0.29 0.00 0.03 0.00 0.00 54.97 56.49 1nba s GLU 253 Cb -0.15 -3.99 -0.06 0.00 -0.80 0.00 0.00 34.13 29.13 1nba s GLU 253 CO 0.20 -1.33 1.86 0.00 -1.33 0.00 0.00 175.26 174.66 1nba s ALA 254 N 5.06 3.41 0.34 -0.84 0.00 -1.26 -4.95 121.76 123.52 1nba s ALA 254 Ca 0.64 0.98 -0.29 0.00 0.00 0.00 0.00 51.96 53.30 1nba s ALA 254 Cb -0.19 -3.85 -0.11 0.00 0.00 0.00 0.00 23.12 18.97 1nba s ALA 254 CO 0.28 -1.78 1.41 -2.14 0.00 0.00 0.00 175.76 173.53 1nba s PRO 255 N 4.67 4.24 0.45 0.00 0.02 -1.26 -4.98 135.00 138.14 1nba s PRO 255 Ca 0.83 2.39 -0.22 0.00 0.02 0.00 0.00 61.00 64.02 1nba s PRO 255 Cb -0.35 -3.03 -0.08 0.00 0.02 0.00 0.00 34.50 31.05 1nba s PRO 255 CO 0.35 -0.37 1.08 0.00 -0.33 0.00 0.00 177.00 177.73 1nba s ALA 256 N -0.95 2.95 -0.02 -1.55 0.00 -1.26 -4.98 121.76 115.96 1nba s ALA 256 Ca 0.52 0.73 -0.30 0.00 0.00 0.00 0.00 51.96 52.92 1nba s ALA 256 Cb -0.43 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.33 1nba s ALA 256 CO 0.56 -0.40 1.57 -0.51 0.00 0.00 0.00 175.76 176.98 1nba s ASP 257 N -1.67 6.71 0.67 0.00 1.01 -1.26 -4.91 116.67 117.22 1nba s ASP 257 Ca 0.64 2.24 0.36 0.00 0.71 0.00 0.00 52.55 56.50 1nba s ASP 257 Cb -0.22 -2.55 1.97 0.00 1.01 0.00 0.00 42.92 43.13 1nba s ASP 257 CO 0.27 -0.86 2.11 1.55 0.21 0.00 0.00 175.17 178.45 1nba h PRO 258 N 8.73 0.00 0.00 8.23 0.13 -2.06 -3.57 132.00 143.46 1nba h PRO 258 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1nba h PRO 258 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1nba h PRO 258 CO 0.94 0.00 0.00 1.55 -0.23 0.00 0.00 178.00 180.26