#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nec h ILE 2 N 0.00 1.25 -0.20 5.18 6.09 -2.02 -2.80 117.51 125.01 1nec h ILE 2 Ca 0.00 -2.05 -0.09 0.00 -1.37 0.00 0.00 64.86 61.35 1nec h ILE 2 Cb 0.00 2.15 -0.01 0.00 0.47 0.00 0.00 36.82 39.43 1nec h ILE 2 CO 0.00 0.55 -0.29 0.40 -3.07 0.00 0.00 178.15 175.75 1nec h ILE 3 N 0.00 1.27 -0.57 2.19 1.08 -2.04 -1.26 117.51 118.18 1nec h ILE 3 Ca -0.01 -1.30 -0.07 0.00 -0.39 0.00 0.00 64.86 63.10 1nec h ILE 3 Cb 1.11 1.44 -0.02 0.00 -3.07 0.00 0.00 36.82 36.27 1nec h ILE 3 CO 0.07 0.40 0.09 0.28 -0.69 0.00 0.00 178.15 178.31 1nec h SER 4 N 0.34 0.90 -0.02 1.72 0.02 -1.93 -2.02 113.55 112.56 1nec h SER 4 Ca 0.05 -0.26 0.01 0.00 -0.84 0.00 0.00 61.79 60.74 1nec h SER 4 Cb 0.69 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1nec h SER 4 CO 0.05 0.94 -0.03 0.58 -1.14 0.00 0.00 176.83 177.23 1nec h VAL 5 N 0.84 0.93 -0.76 2.27 2.07 -1.37 -0.83 116.25 119.39 1nec h VAL 5 Ca 0.17 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.77 1nec h VAL 5 Cb 0.42 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 1nec h VAL 5 CO 0.01 0.00 0.50 0.00 0.02 0.00 0.00 177.57 178.10 1nec h ALA 6 N 0.98 1.74 0.00 1.67 0.00 -1.04 -0.08 119.26 122.53 1nec h ALA 6 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nec h ALA 6 Cb 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1nec h ALA 6 CO -0.04 0.12 -0.34 -0.07 0.00 0.00 0.00 179.25 178.92 1nec h LEU 7 N 0.74 0.00 0.00 0.00 3.38 -1.00 -3.38 115.31 115.05 1nec h LEU 7 Ca 0.34 -0.09 -0.38 0.00 0.09 0.00 0.00 57.88 57.84 1nec h LEU 7 Cb 0.37 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 1nec h LEU 7 CO -0.12 0.05 -2.43 1.17 0.09 0.00 0.00 178.44 177.19 1nec n LYS 8 N -2.31 0.67 -1.80 1.13 4.81 -0.35 -4.94 118.16 115.38 1nec n LYS 8 Ca 0.04 0.07 -0.39 0.00 -0.87 0.00 0.00 58.31 57.16 1nec n LYS 8 Cb 0.45 -1.52 0.04 0.00 0.02 0.00 0.00 35.03 34.02 1nec n LYS 8 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1nec s ARG 9 N -2.50 3.26 0.14 1.64 1.70 -0.13 -5.04 118.95 118.02 1nec s ARG 9 Ca -0.22 2.26 -0.02 0.00 -0.47 0.00 0.00 55.73 57.28 1nec s ARG 9 Cb 0.07 -2.34 -0.03 0.00 -0.57 0.00 0.00 34.95 32.08 1nec s ARG 9 CO 0.72 -1.10 0.10 -3.38 -1.08 0.00 0.00 175.30 170.55 1nec s HIS 10 N -1.29 0.79 -0.46 5.89 -3.43 -1.26 -5.00 115.29 110.52 1nec s HIS 10 Ca 0.69 -1.16 -0.27 0.00 -0.80 0.00 0.00 55.06 53.52 1nec s HIS 10 Cb -0.41 -0.41 0.03 0.00 -1.43 0.00 0.00 32.58 30.36 1nec s HIS 10 CO 0.49 -0.55 1.04 -1.12 -2.00 0.00 0.00 174.74 172.60 1nec s SER 11 N -3.04 6.58 0.21 7.38 0.01 -1.26 -4.55 113.70 119.04 1nec s SER 11 Ca 0.23 0.33 -0.30 0.00 1.31 0.00 0.00 55.95 57.52 1nec s SER 11 Cb 0.07 -2.50 -0.09 0.00 0.21 0.00 0.00 66.02 63.70 1nec s SER 11 CO 0.02 -1.15 1.31 -0.89 0.41 0.00 0.00 173.24 172.94 1nec s THR 12 N 4.11 3.16 -0.15 1.44 2.01 -0.54 -4.82 115.64 120.85 1nec s THR 12 Ca 0.43 0.97 0.21 0.00 0.31 0.00 0.00 61.69 63.61 1nec s THR 12 Cb -0.09 -3.62 -0.31 0.00 0.01 0.00 0.00 72.50 68.50 1nec s THR 12 CO 0.29 0.15 0.51 0.29 -0.69 0.00 0.00 174.62 175.17 1nec n LYS 13 N 2.49 0.59 -3.74 4.92 4.76 -1.26 -4.66 118.16 121.25 1nec n LYS 13 Ca 0.06 -0.16 -0.13 0.00 -2.87 0.00 0.00 58.31 55.21 1nec n LYS 13 Cb 0.43 -1.49 -0.13 0.00 -1.84 0.00 0.00 35.03 32.00 1nec n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nec s ALA 14 N -3.36 -0.55 0.03 7.82 0.00 -1.26 -4.78 121.76 119.66 1nec s ALA 14 Ca -0.06 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1nec s ALA 14 Cb 0.14 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 1nec s ALA 14 CO 0.86 -0.17 0.13 -0.06 0.00 0.00 0.00 175.76 176.51 1nec s PHE 15 N 0.99 3.37 -0.51 0.00 0.40 -1.26 -0.41 117.98 120.55 1nec s PHE 15 Ca -0.07 0.21 -0.28 0.00 -0.60 0.00 0.00 56.93 56.19 1nec s PHE 15 Cb -0.08 -1.73 0.03 0.00 0.51 0.00 0.00 43.02 41.75 1nec s PHE 15 CO -0.06 0.57 1.13 0.34 0.70 0.00 0.00 175.22 177.90 1nec s ASP 16 N -2.15 6.55 0.27 1.36 -1.08 0.10 -4.52 116.67 117.20 1nec s ASP 16 Ca 0.29 0.29 0.20 0.00 -0.52 0.00 0.00 52.55 52.80 1nec s ASP 16 Cb -0.12 -2.54 1.02 0.00 -1.46 0.00 0.00 42.92 39.82 1nec s ASP 16 CO 0.21 -1.31 1.60 0.00 0.52 0.00 0.00 175.17 176.19 1nec n ALA 17 N 7.96 1.14 0.69 3.66 0.00 -1.23 -2.01 120.51 130.72 1nec n ALA 17 Ca 0.10 0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.82 1nec n ALA 17 Cb 0.49 -1.29 0.16 0.00 0.00 0.00 0.00 19.45 18.80 1nec n ALA 17 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nec n SER 18 N -2.17 0.62 -4.53 0.00 3.41 -1.26 -4.84 113.62 104.85 1nec n SER 18 Ca -0.01 -0.07 -0.36 0.00 -0.26 0.00 0.00 58.87 58.17 1nec n SER 18 Cb 0.06 0.35 -0.11 0.00 -0.26 0.00 0.00 64.21 64.24 1nec n SER 18 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1nec s LYS 19 N -3.13 3.82 0.25 4.33 1.02 -0.85 -5.07 119.74 120.11 1nec s LYS 19 Ca 0.07 -0.40 0.09 0.00 0.02 0.00 0.00 55.97 55.75 1nec s LYS 19 Cb 0.15 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 1nec s LYS 19 CO 0.74 -0.07 -0.03 0.15 -0.92 0.00 0.00 175.35 175.21 1nec s LYS 20 N 1.35 2.24 0.40 1.68 -0.14 -1.26 -4.46 119.74 119.55 1nec s LYS 20 Ca 0.06 -1.40 -0.23 0.00 -1.36 0.00 0.00 55.97 53.04 1nec s LYS 20 Cb -0.15 -2.15 -0.10 0.00 -1.68 0.00 0.00 37.83 33.75 1nec s LYS 20 CO 0.05 0.38 0.97 -0.51 -0.76 0.00 0.00 175.35 175.47 1nec s LEU 21 N -3.51 4.07 0.91 3.17 1.43 -1.26 -5.03 118.68 118.47 1nec s LEU 21 Ca 0.30 1.79 -0.12 0.00 -1.03 0.00 0.00 54.13 55.08 1nec s LEU 21 Cb -0.07 -4.34 0.14 0.00 0.03 0.00 0.00 46.19 41.95 1nec s LEU 21 CO 0.19 -0.32 1.10 0.42 0.23 0.00 0.00 176.35 177.97 1nec s THR 22 N -1.94 2.44 0.39 5.49 -4.23 -1.26 -4.80 115.64 111.73 1nec s THR 22 Ca 0.58 0.14 0.06 0.00 -1.18 0.00 0.00 61.69 61.29 1nec s THR 22 Cb -0.14 -2.72 0.26 0.00 1.34 0.00 0.00 72.50 71.24 1nec s THR 22 CO 0.18 -0.19 2.04 0.00 -0.54 0.00 0.00 174.62 176.12 1nec h ALA 23 N -1.57 1.65 -0.44 3.99 0.00 -1.99 -0.87 119.26 120.03 1nec h ALA 23 Ca -0.51 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 1nec h ALA 23 Cb 1.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1nec h ALA 23 CO 0.58 0.32 -0.12 1.49 0.00 0.00 0.00 179.25 181.51 1nec h GLU 24 N 0.64 0.86 -0.42 0.00 4.81 -1.99 -1.75 114.58 116.73 1nec h GLU 24 Ca 0.17 -0.34 -0.12 0.00 -0.13 0.00 0.00 59.36 58.95 1nec h GLU 24 Cb -0.06 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1nec h GLU 24 CO -0.04 0.97 -0.22 0.93 -0.73 0.00 0.00 179.01 179.93 1nec h GLU 25 N 0.69 0.85 -0.57 1.92 5.08 -1.76 -1.42 114.58 119.36 1nec h GLU 25 Ca 0.11 -0.35 0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1nec h GLU 25 Cb 0.67 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 1nec h GLU 25 CO 0.05 0.98 0.35 0.00 -1.00 0.00 0.00 179.01 179.39 1nec h ALA 26 N 1.01 0.74 -0.44 3.43 0.00 -1.04 -1.48 119.26 121.48 1nec h ALA 26 Ca 0.10 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1nec h ALA 26 Cb 0.75 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1nec h ALA 26 CO 0.06 0.07 -0.10 0.93 0.00 0.00 0.00 179.25 180.21 1nec h GLU 27 N 0.68 0.79 -0.19 0.00 4.39 -1.18 -3.09 114.58 115.99 1nec h GLU 27 Ca 0.23 -0.26 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 1nec h GLU 27 Cb 0.03 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1nec h GLU 27 CO -0.10 0.86 -0.15 0.87 -1.16 0.00 0.00 179.01 179.33 1nec h LYS 28 N 0.72 0.31 -0.11 2.33 1.57 -0.72 -2.49 116.57 118.18 1nec h LYS 28 Ca 0.12 -0.08 -0.17 0.00 -1.87 0.00 0.00 60.65 58.65 1nec h LYS 28 Cb 0.58 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1nec h LYS 28 CO 0.04 0.47 -0.65 -0.84 -0.57 0.00 0.00 179.45 177.89 1nec h ILE 29 N 0.29 1.36 -0.28 1.86 3.07 -1.22 -1.84 117.51 120.74 1nec h ILE 29 Ca 0.05 -2.00 -0.08 0.00 1.55 0.00 0.00 64.86 64.39 1nec h ILE 29 Cb 0.45 1.98 -0.02 0.00 -0.27 0.00 0.00 36.82 38.96 1nec h ILE 29 CO 0.03 0.60 -0.16 0.11 -1.05 0.00 0.00 178.15 177.68 1nec h LYS 30 N 0.31 0.49 -0.53 0.16 1.57 -1.42 -1.78 116.57 115.37 1nec h LYS 30 Ca -0.01 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1nec h LYS 30 Cb 1.20 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1nec h LYS 30 CO 0.11 0.64 0.21 1.15 -0.57 0.00 0.00 179.45 180.99 1nec h THR 31 N 0.45 1.22 -0.41 -0.16 2.02 -1.22 -2.05 112.91 112.75 1nec h THR 31 Ca 0.08 -0.69 0.04 0.00 0.77 0.00 0.00 66.41 66.61 1nec h THR 31 Cb 0.54 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 1nec h THR 31 CO 0.03 0.26 0.17 -0.07 0.37 0.00 0.00 175.52 176.28 1nec h LEU 32 N 0.72 0.20 0.07 2.58 3.38 -1.00 -2.09 115.31 119.18 1nec h LEU 32 Ca 0.18 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1nec h LEU 32 Cb 0.21 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1nec h LEU 32 CO -0.01 0.15 -0.07 -0.07 0.09 0.00 0.00 178.44 178.53 1nec h LEU 33 N 0.35 -0.20 -0.79 1.67 3.38 -0.99 -3.20 115.31 115.54 1nec h LEU 33 Ca 0.19 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1nec h LEU 33 Cb 0.15 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1nec h LEU 33 CO -0.17 -0.12 0.31 -0.61 0.09 0.00 0.00 178.44 177.94 1nec h GLN 34 N -0.17 1.19 -0.05 1.13 4.15 -1.37 -3.29 115.11 116.69 1nec h GLN 34 Ca 0.01 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1nec h GLN 34 Cb 0.16 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.66 1nec h GLN 34 CO -0.02 0.96 0.00 0.66 -1.93 0.00 0.00 178.83 178.50 1nec n TYR 35 N -4.28 0.06 -1.87 3.99 4.01 -0.79 -4.91 117.16 113.37 1nec n TYR 35 Ca 0.07 -0.03 -0.41 0.00 -0.16 0.00 0.00 57.90 57.37 1nec n TYR 35 Cb 0.19 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.22 1nec n TYR 35 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1nec s SER 36 N -1.69 6.36 0.84 7.72 0.15 -1.21 -5.00 113.70 120.88 1nec s SER 36 Ca 0.33 2.96 -0.11 0.00 0.70 0.00 0.00 55.95 59.83 1nec s SER 36 Cb 0.16 -2.66 0.10 0.00 -1.71 0.00 0.00 66.02 61.91 1nec s SER 36 CO 0.26 -0.85 1.09 -2.16 1.20 0.00 0.00 173.24 172.79 1nec s PRO 37 N -2.09 1.71 -0.05 5.44 0.04 -1.26 -5.02 135.00 133.76 1nec s PRO 37 Ca 0.53 0.94 -0.31 0.00 0.04 0.00 0.00 61.00 62.20 1nec s PRO 37 Cb -0.45 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.32 1nec s PRO 37 CO 0.60 -1.96 0.69 -1.54 0.04 0.00 0.00 177.00 174.83 1nec s SER 38 N -3.45 -0.64 -0.03 6.66 1.04 -1.26 -4.70 113.70 111.31 1nec s SER 38 Ca 0.62 0.69 -0.34 0.00 0.48 0.00 0.00 55.95 57.41 1nec s SER 38 Cb -0.17 0.53 -0.12 0.00 0.10 0.00 0.00 66.02 66.36 1nec s SER 38 CO 0.56 -0.60 1.83 -0.24 0.98 0.00 0.00 173.24 175.77 1nec n SER 39 N 0.88 3.43 -1.29 7.02 2.88 -1.26 -1.54 113.62 123.74 1nec n SER 39 Ca -0.19 0.99 -0.17 0.00 -1.33 0.00 0.00 58.87 58.18 1nec n SER 39 Cb 0.57 -1.39 -0.07 0.00 -0.75 0.00 0.00 64.21 62.57 1nec n SER 39 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1nec n THR 40 N 4.82 0.00 -3.29 2.46 -2.24 -1.26 -1.98 114.28 112.79 1nec n THR 40 Ca 0.21 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.76 1nec n THR 40 Cb 0.30 -1.72 0.02 0.00 -2.10 0.00 0.00 70.33 66.83 1nec n THR 40 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1nec n ASN 41 N -0.85 -5.06 0.20 3.42 5.15 -0.59 -4.87 115.26 112.66 1nec n ASN 41 Ca -0.17 -0.40 0.04 0.00 -0.60 0.00 0.00 54.58 53.46 1nec n ASN 41 Cb 0.57 -4.11 0.43 0.00 -0.53 0.00 0.00 39.78 36.14 1nec n ASN 41 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1nec h SER 42 N -1.39 0.00 -6.78 1.20 4.64 -1.58 -3.47 113.55 106.17 1nec h SER 42 Ca -0.50 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.26 1nec h SER 42 Cb 1.34 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.38 1nec h SER 42 CO 0.57 0.31 -0.97 0.00 -0.87 0.00 0.00 176.83 175.86 1nec n GLN 43 N -4.03 -1.01 -1.51 4.77 6.02 -1.26 -4.80 117.38 115.56 1nec n GLN 43 Ca -0.02 0.19 -0.33 0.00 -0.01 0.00 0.00 57.00 56.84 1nec n GLN 43 Cb 0.37 -3.34 -0.05 0.00 1.02 0.00 0.00 30.24 28.24 1nec n GLN 43 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1nec n PRO 44 N -4.71 3.52 -3.82 -1.09 -0.04 -1.26 -4.86 135.00 122.74 1nec n PRO 44 Ca -0.18 -2.44 -0.10 0.00 -0.04 0.00 0.00 63.50 60.74 1nec n PRO 44 Cb 0.62 -2.51 -0.07 0.00 -0.04 0.00 0.00 33.50 31.49 1nec n PRO 44 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1nec s TRP 45 N 0.29 0.05 -0.03 0.54 -2.14 -1.26 -1.26 118.94 115.13 1nec s TRP 45 Ca 0.63 -0.36 -0.03 0.00 2.66 0.00 0.00 56.10 59.00 1nec s TRP 45 Cb 0.24 -0.00 0.01 0.00 -3.10 0.00 0.00 33.47 30.61 1nec s TRP 45 CO -0.09 -0.51 0.09 -1.58 -2.66 0.00 0.00 176.95 172.20 1nec s HIS 46 N -3.21 -0.10 -0.09 1.66 2.46 -0.88 -4.94 115.29 110.20 1nec s HIS 46 Ca -0.00 0.24 0.04 0.00 0.47 0.00 0.00 55.06 55.81 1nec s HIS 46 Cb 0.02 0.03 -0.01 0.00 -0.13 0.00 0.00 32.58 32.49 1nec s HIS 46 CO -0.07 -0.05 -0.23 -0.06 -2.47 0.00 0.00 174.74 171.86 1nec s PHE 47 N 0.07 2.56 -0.24 3.88 0.08 -1.26 -1.22 117.98 121.84 1nec s PHE 47 Ca -0.00 -0.88 -0.12 0.00 0.12 0.00 0.00 56.93 56.05 1nec s PHE 47 Cb -0.01 -1.69 -0.05 0.00 -0.57 0.00 0.00 43.02 40.70 1nec s PHE 47 CO 0.00 -0.32 0.24 0.42 -0.10 0.00 0.00 175.22 175.46 1nec s ILE 48 N 0.16 5.30 -0.29 0.64 1.01 -0.74 -4.93 121.20 122.34 1nec s ILE 48 Ca -0.13 0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1nec s ILE 48 Cb -0.16 -3.58 0.06 0.00 0.01 0.00 0.00 42.46 38.79 1nec s ILE 48 CO 0.07 0.29 -0.03 -0.69 0.00 0.00 0.00 174.94 174.57 1nec s VAL 49 N 1.36 2.59 -0.23 2.92 1.01 -1.26 -0.11 120.40 126.68 1nec s VAL 49 Ca 0.11 -1.62 -0.05 0.00 0.00 0.00 0.00 61.98 60.42 1nec s VAL 49 Cb -0.14 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1nec s VAL 49 CO 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 175.10 175.01 1nec s ALA 50 N 1.15 2.93 -0.03 5.51 0.00 -0.62 -4.93 121.76 125.78 1nec s ALA 50 Ca -0.05 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 50.77 1nec s ALA 50 Cb -0.20 -1.84 -0.02 0.00 0.00 0.00 0.00 23.12 21.06 1nec s ALA 50 CO -0.04 -0.45 0.05 -1.13 0.00 0.00 0.00 175.76 174.19 1nec n SER 51 N 4.84 3.23 -4.88 0.00 3.41 -1.26 -0.20 113.62 118.76 1nec n SER 51 Ca -0.17 -0.16 -0.29 0.00 -0.26 0.00 0.00 58.87 57.98 1nec n SER 51 Cb 0.51 1.06 -0.01 0.00 -0.26 0.00 0.00 64.21 65.51 1nec n SER 51 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1nec s THR 52 N -1.83 4.79 0.24 6.66 -4.23 -1.26 -4.89 115.64 115.13 1nec s THR 52 Ca -0.00 0.57 -0.03 0.00 -1.18 0.00 0.00 61.69 61.04 1nec s THR 52 Cb 0.01 -3.83 0.10 0.00 1.34 0.00 0.00 72.50 70.12 1nec s THR 52 CO 0.07 -0.85 1.73 -0.33 -0.54 0.00 0.00 174.62 174.70 1nec h GLU 53 N 0.34 0.85 -0.54 3.99 4.39 -1.96 -1.21 114.58 120.45 1nec h GLU 53 Ca -0.46 -0.24 -0.08 0.00 0.34 0.00 0.00 59.36 58.91 1nec h GLU 53 Cb 1.20 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.73 1nec h GLU 53 CO 0.62 0.86 0.00 0.93 -1.16 0.00 0.00 179.01 180.26 1nec h GLU 54 N 0.79 0.94 -0.32 2.33 5.08 -2.00 -2.08 114.58 119.32 1nec h GLU 54 Ca 0.15 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1nec h GLU 54 Cb 0.49 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1nec h GLU 54 CO 0.02 0.96 0.09 0.78 -1.00 0.00 0.00 179.01 179.86 1nec h GLY 55 N 0.82 0.54 1.60 -3.84 0.00 -1.88 -2.61 103.07 97.70 1nec h GLY 55 Ca 0.15 -0.33 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 1nec h GLY 55 CO 0.03 0.31 -0.27 0.50 0.00 0.00 0.00 176.54 177.10 1nec h LYS 56 N 0.36 0.46 -0.03 4.80 1.57 -1.20 -2.22 116.57 120.32 1nec h LYS 56 Ca 0.10 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 1nec h LYS 56 Cb 0.26 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1nec h LYS 56 CO -0.00 0.70 -0.52 0.00 -0.57 0.00 0.00 179.45 179.05 1nec h ALA 57 N 1.31 1.07 -0.54 3.86 0.00 -1.29 0.14 119.26 123.81 1nec h ALA 57 Ca 0.06 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1nec h ALA 57 Cb 0.69 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1nec h ALA 57 CO 0.05 0.66 0.03 0.00 0.00 0.00 0.00 179.25 179.99 1nec h ARG 58 N 0.06 0.94 -0.34 0.00 3.08 -1.25 -2.60 114.38 114.27 1nec h ARG 58 Ca -0.00 -0.28 -0.13 0.00 0.07 0.00 0.00 59.98 59.64 1nec h ARG 58 Cb 0.95 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1nec h ARG 58 CO 0.07 0.94 -0.29 0.28 -1.07 0.00 0.00 179.97 179.90 1nec h VAL 59 N 0.82 1.29 0.00 2.04 2.07 -0.98 -3.14 116.25 118.35 1nec h VAL 59 Ca 0.16 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.22 1nec h VAL 59 Cb 0.50 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1nec h VAL 59 CO 0.02 0.48 0.00 0.00 0.02 0.00 0.00 177.57 178.09 1nec n ALA 60 N -2.51 1.28 0.25 1.67 0.00 0.46 -2.53 120.51 119.13 1nec n ALA 60 Ca -0.03 0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.62 1nec n ALA 60 Cb 0.48 -1.28 0.67 0.00 0.00 0.00 0.00 19.45 19.32 1nec n ALA 60 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1nec h LYS 61 N 0.00 0.00 0.00 0.00 1.57 -1.42 -1.05 116.57 115.67 1nec h LYS 61 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nec h LYS 61 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1nec h LYS 61 CO 0.00 0.11 0.00 0.66 -0.57 0.00 0.00 179.45 179.65 1nec h SER 62 N 0.00 0.00 -1.33 0.86 4.64 -1.70 -3.33 113.55 112.69 1nec h SER 62 Ca -0.00 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.56 1nec h SER 62 Cb 0.23 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.17 1nec h SER 62 CO 0.01 0.00 2.07 0.00 -0.87 0.00 0.00 176.83 178.04 1nec n ALA 63 N -1.90 5.35 -2.49 5.18 0.00 -0.40 -0.18 120.51 126.07 1nec n ALA 63 Ca 0.02 -4.30 -0.26 0.00 0.00 0.00 0.00 53.44 48.90 1nec n ALA 63 Cb 0.29 -3.01 -0.10 0.00 0.00 0.00 0.00 19.45 16.63 1nec n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nec s ALA 64 N 0.53 2.74 0.00 0.00 0.00 -1.25 -3.54 121.76 120.24 1nec s ALA 64 Ca 0.40 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1nec s ALA 64 Cb 0.10 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1nec s ALA 64 CO 0.00 0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.58 1nec n GLY 65 N -0.01 3.19 0.26 0.00 0.00 -1.26 -1.38 105.19 105.99 1nec n GLY 65 Ca -0.10 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.19 1nec n GLY 65 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1nec h THR 66 N 0.00 0.53 -0.38 2.61 2.02 -1.99 -2.88 112.91 112.82 1nec h THR 66 Ca 0.00 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1nec h THR 66 Cb 0.00 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1nec h THR 66 CO 0.00 0.12 0.00 -1.22 0.37 0.00 0.00 175.52 174.79 1nec n TYR 67 N -3.58 0.50 -0.24 3.16 4.01 -0.48 -4.50 117.16 116.03 1nec n TYR 67 Ca -0.02 -0.25 0.14 0.00 -0.16 0.00 0.00 57.90 57.62 1nec n TYR 67 Cb 0.25 0.00 0.43 0.00 -0.31 0.00 0.00 39.34 39.72 1nec n TYR 67 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1nec h VAL 68 N 2.66 0.79 -0.01 -0.72 3.04 -1.55 -0.65 116.25 119.81 1nec h VAL 68 Ca 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1nec h VAL 68 Cb 0.60 0.17 -0.00 0.00 -2.01 0.00 0.00 31.29 30.05 1nec h VAL 68 CO 0.00 0.10 0.16 2.19 -1.01 0.00 0.00 177.57 179.02 1nec h PHE 69 N 0.57 0.00 -0.01 3.17 -5.15 -1.88 -0.56 116.94 113.08 1nec h PHE 69 Ca 0.44 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.21 1nec h PHE 69 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.01 1nec h PHE 69 CO -0.00 0.00 -0.44 0.09 -2.00 0.00 0.00 178.31 175.96 1nec n ASN 70 N -3.04 1.19 -0.19 -0.68 3.02 -0.25 -4.58 115.26 110.74 1nec n ASN 70 Ca -0.02 -0.96 -0.06 0.00 -0.03 0.00 0.00 54.58 53.51 1nec n ASN 70 Cb 0.23 0.34 0.03 0.00 -0.61 0.00 0.00 39.78 39.77 1nec n ASN 70 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1nec h GLU 71 N 1.18 0.72 -0.30 3.52 4.81 -1.20 -2.77 114.58 120.54 1nec h GLU 71 Ca 0.00 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1nec h GLU 71 Cb 0.57 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1nec h GLU 71 CO 0.00 0.48 -0.00 0.07 -0.73 0.00 0.00 179.01 178.83 1nec h ARG 72 N 0.75 0.46 -0.41 1.92 0.11 -1.81 -1.41 114.38 113.98 1nec h ARG 72 Ca 0.20 -0.09 -0.03 0.00 0.10 0.00 0.00 59.98 60.16 1nec h ARG 72 Cb -0.08 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 30.91 1nec h ARG 72 CO -0.05 0.49 0.12 0.87 0.10 0.00 0.00 179.97 181.50 1nec h LYS 73 N 0.44 0.60 0.14 0.08 1.57 -1.77 -2.41 116.57 115.22 1nec h LYS 73 Ca 0.10 -0.09 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 1nec h LYS 73 Cb 0.30 -0.10 0.03 0.00 0.08 0.00 0.00 32.23 32.53 1nec h LYS 73 CO 0.01 0.53 -1.19 0.52 -0.57 0.00 0.00 179.45 178.75 1nec h MET 74 N 0.59 0.55 -0.38 3.15 2.86 -1.33 -3.23 114.93 117.14 1nec h MET 74 Ca 0.14 -0.79 -0.13 0.00 -2.06 0.00 0.00 59.70 56.86 1nec h MET 74 Cb 0.20 0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 1nec h MET 74 CO -0.01 1.36 -0.28 -0.07 1.06 0.00 0.00 176.91 178.98 1nec h LEU 75 N 0.14 0.83 -0.41 1.22 3.38 -1.15 -3.29 115.31 116.02 1nec h LEU 75 Ca -0.19 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1nec h LEU 75 Cb 1.89 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.41 1nec h LEU 75 CO 0.23 1.06 -0.58 0.47 0.09 0.00 0.00 178.44 179.70 1nec n ASP 76 N -4.09 1.23 -4.81 -0.43 8.00 -0.92 -4.92 116.55 110.62 1nec n ASP 76 Ca -0.01 -0.99 -0.31 0.00 0.71 0.00 0.00 54.79 54.19 1nec n ASP 76 Cb 0.47 0.51 0.07 0.00 -0.02 0.00 0.00 41.12 42.15 1nec n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nec s ALA 77 N -2.73 2.51 -0.02 2.24 0.00 -1.22 -3.54 121.76 119.00 1nec s ALA 77 Ca 0.15 0.05 -0.23 0.00 0.00 0.00 0.00 51.96 51.94 1nec s ALA 77 Cb 0.18 -3.18 -0.16 0.00 0.00 0.00 0.00 23.12 19.96 1nec s ALA 77 CO 0.67 -1.42 1.05 1.03 0.00 0.00 0.00 175.76 177.09 1nec h SER 78 N -0.87 -0.30 -3.54 0.00 0.87 -1.55 -3.46 113.55 104.70 1nec h SER 78 Ca -0.44 -0.23 -0.52 0.00 -1.23 0.00 0.00 61.79 59.36 1nec h SER 78 Cb 1.23 0.08 -0.33 0.00 -0.44 0.00 0.00 62.40 62.93 1nec h SER 78 CO 0.56 0.15 -0.82 -1.00 -0.53 0.00 0.00 176.83 175.20 1nec s HIS 79 N -4.06 1.47 -0.23 2.24 3.76 -0.59 -4.46 115.29 113.42 1nec s HIS 79 Ca -0.13 -0.51 -0.03 0.00 -0.15 0.00 0.00 55.06 54.25 1nec s HIS 79 Cb 0.01 -1.05 0.01 0.00 1.11 0.00 0.00 32.58 32.66 1nec s HIS 79 CO 0.49 -0.24 -0.06 0.08 -0.85 0.00 0.00 174.74 174.16 1nec s VAL 80 N 0.50 3.07 -0.22 -0.90 1.01 0.72 0.10 120.40 124.68 1nec s VAL 80 Ca -0.12 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 1nec s VAL 80 Cb -0.14 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1nec s VAL 80 CO 0.03 0.33 0.13 -0.69 0.00 0.00 0.00 175.10 174.90 1nec s VAL 81 N 1.40 5.20 -0.26 2.92 1.01 -0.84 -1.58 120.40 128.24 1nec s VAL 81 Ca 0.03 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.06 1nec s VAL 81 Cb -0.15 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1nec s VAL 81 CO -0.05 0.39 0.07 -0.69 0.00 0.00 0.00 175.10 174.82 1nec s VAL 82 N 0.82 4.26 -0.31 2.92 1.01 0.85 -0.46 120.40 129.49 1nec s VAL 82 Ca 0.07 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 1nec s VAL 82 Cb -0.13 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 1nec s VAL 82 CO 0.02 0.29 0.50 -0.36 0.00 0.00 0.00 175.10 175.55 1nec s PHE 83 N 1.60 3.21 0.00 5.22 0.40 0.27 -1.79 117.98 126.90 1nec s PHE 83 Ca 0.06 0.36 0.06 0.00 -0.60 0.00 0.00 56.93 56.81 1nec s PHE 83 Cb -0.15 -2.82 -0.03 0.00 0.51 0.00 0.00 43.02 40.53 1nec s PHE 83 CO 0.03 -0.42 -0.17 0.00 0.70 0.00 0.00 175.22 175.36 1nec s ALA 85 N -0.82 3.48 0.49 0.00 0.00 0.12 -2.06 121.76 122.97 1nec s ALA 85 Ca 0.13 -1.16 -0.21 0.00 0.00 0.00 0.00 51.96 50.72 1nec s ALA 85 Cb -0.10 -1.31 -0.07 0.00 0.00 0.00 0.00 23.12 21.63 1nec s ALA 85 CO 0.03 0.60 1.13 0.15 0.00 0.00 0.00 175.76 177.67 1nec s LYS 86 N -2.75 3.62 0.04 0.00 1.02 -0.39 -1.00 119.74 120.27 1nec s LYS 86 Ca 0.29 1.64 0.24 0.00 0.02 0.00 0.00 55.97 58.16 1nec s LYS 86 Cb -0.11 -2.21 0.33 0.00 -0.52 0.00 0.00 37.83 35.33 1nec s LYS 86 CO 0.22 -0.64 1.29 0.25 -0.92 0.00 0.00 175.35 175.55 1nec n THR 87 N -0.86 0.12 -3.58 2.17 -2.24 -0.84 -4.82 114.28 104.22 1nec n THR 87 Ca 0.09 -0.11 -0.14 0.00 -2.27 0.00 0.00 64.05 61.61 1nec n THR 87 Cb 0.50 0.19 -0.06 0.00 -2.10 0.00 0.00 70.33 68.86 1nec n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nec s ALA 88 N -3.08 -1.82 -0.43 6.98 0.00 -1.26 -4.63 121.76 117.51 1nec s ALA 88 Ca 0.08 1.67 -0.20 0.00 0.00 0.00 0.00 51.96 53.51 1nec s ALA 88 Cb 0.16 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.62 1nec s ALA 88 CO 0.73 -0.33 0.60 1.41 0.00 0.00 0.00 175.76 178.17 1nec s MET 89 N -0.47 3.25 0.20 0.00 1.75 -1.26 -5.05 119.30 117.72 1nec s MET 89 Ca -0.04 -0.45 0.04 0.00 -1.25 0.00 0.00 55.69 53.99 1nec s MET 89 Cb -0.02 -3.95 -0.03 0.00 2.84 0.00 0.00 34.83 33.66 1nec s MET 89 CO 0.04 -0.97 0.30 0.16 -0.65 0.00 0.00 175.02 173.89 1nec s ASP 90 N 1.96 6.19 0.31 1.11 -4.77 -1.26 -5.02 116.67 115.18 1nec s ASP 90 Ca 0.20 0.06 -0.00 0.00 -3.30 0.00 0.00 52.55 49.51 1nec s ASP 90 Cb -0.15 -1.80 0.49 0.00 -1.09 0.00 0.00 42.92 40.37 1nec s ASP 90 CO 0.18 -0.01 1.92 0.44 0.70 0.00 0.00 175.17 178.39 1nec h ASP 91 N 1.67 0.78 -0.70 2.11 3.32 -2.00 -1.92 116.42 119.68 1nec h ASP 91 Ca -0.50 -0.08 0.10 0.00 0.02 0.00 0.00 57.03 56.58 1nec h ASP 91 Cb 1.21 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 40.49 1nec h ASP 91 CO 0.64 0.66 0.33 0.00 -1.72 0.00 0.00 179.24 179.15 1nec h ALA 92 N 1.46 0.97 0.03 3.45 0.00 -1.99 -1.03 119.26 122.15 1nec h ALA 92 Ca 0.22 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1nec h ALA 92 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1nec h ALA 92 CO -0.03 -0.10 -0.02 2.35 0.00 0.00 0.00 179.25 181.46 1nec h TRP 93 N 0.54 -0.04 -0.64 0.00 2.91 -1.76 -2.61 115.95 114.36 1nec h TRP 93 Ca 0.36 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.42 1nec h TRP 93 Cb 0.42 0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 29.04 1nec h TRP 93 CO -0.13 0.13 0.42 -0.07 -1.03 0.00 0.00 178.44 177.77 1nec h LEU 94 N -0.21 0.61 -0.33 0.65 3.38 -1.22 -2.34 115.31 115.85 1nec h LEU 94 Ca -0.00 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1nec h LEU 94 Cb 0.19 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1nec h LEU 94 CO 0.01 0.41 -0.07 -0.08 0.09 0.00 0.00 178.44 178.80 1nec h GLU 95 N 0.71 0.63 -0.15 1.13 4.81 -1.16 -1.29 114.58 119.26 1nec h GLU 95 Ca 0.26 -0.24 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 1nec h GLU 95 Cb 0.16 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1nec h GLU 95 CO -0.08 0.80 -0.30 -0.09 -0.73 0.00 0.00 179.01 178.61 1nec h ARG 96 N 0.42 0.29 0.24 1.92 2.43 -1.10 0.11 114.38 118.68 1nec h ARG 96 Ca 0.09 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1nec h ARG 96 Cb 0.56 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1nec h ARG 96 CO 0.03 0.56 -0.12 0.28 -1.51 0.00 0.00 179.97 179.22 1nec h VAL 97 N 0.26 0.82 -0.49 0.20 2.07 -1.20 -1.42 116.25 116.48 1nec h VAL 97 Ca 0.04 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 1nec h VAL 97 Cb 0.66 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1nec h VAL 97 CO 0.05 0.09 -0.03 0.58 0.02 0.00 0.00 177.57 178.28 1nec h VAL 98 N -0.55 1.25 -0.67 2.57 2.07 -0.97 -0.38 116.25 119.58 1nec h VAL 98 Ca -0.03 -1.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 1nec h VAL 98 Cb 0.40 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1nec h VAL 98 CO 0.05 0.38 0.18 0.44 0.02 0.00 0.00 177.57 178.65 1nec h ASP 99 N 0.78 0.98 -0.67 0.57 3.32 -0.80 0.43 116.42 121.03 1nec h ASP 99 Ca 0.14 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 1nec h ASP 99 Cb 0.51 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1nec h ASP 99 CO 0.03 0.93 0.23 -0.61 -1.72 0.00 0.00 179.24 178.10 1nec h GLN 100 N 1.00 1.03 -0.74 3.56 5.75 -0.70 0.87 115.11 125.87 1nec h GLN 100 Ca 0.22 -0.21 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 1nec h GLN 100 Cb 0.32 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 1nec h GLN 100 CO -0.00 0.88 0.31 0.93 -2.65 0.00 0.00 178.83 178.29 1nec h GLU 101 N 0.96 1.10 0.12 1.69 5.08 -0.41 -0.15 114.58 122.97 1nec h GLU 101 Ca 0.22 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1nec h GLU 101 Cb 0.27 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1nec h GLU 101 CO -0.01 0.88 -0.06 1.49 -1.00 0.00 0.00 179.01 180.31 1nec h GLU 102 N 1.07 -0.16 -0.20 2.33 4.81 -0.55 -1.93 114.58 119.96 1nec h GLU 102 Ca 0.25 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 1nec h GLU 102 Cb 0.19 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1nec h GLU 102 CO -0.02 -0.10 -0.02 0.00 -0.73 0.00 0.00 179.01 178.14 1nec h ALA 103 N 0.71 1.61 0.00 2.92 0.00 -0.37 -2.02 119.26 122.11 1nec h ALA 103 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1nec h ALA 103 Cb 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1nec h ALA 103 CO 0.03 0.29 0.00 -0.25 0.00 0.00 0.00 179.25 179.32 1nec n ASP 104 N -4.35 0.00 0.00 0.00 8.00 -0.11 -4.90 116.55 115.18 1nec n ASP 104 Ca -0.00 0.47 0.00 0.00 0.71 0.00 0.00 54.79 55.97 1nec n ASP 104 Cb 0.20 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 1nec n ASP 104 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nec n GLY 105 N 0.72 1.08 0.14 0.44 0.00 -0.76 -5.00 105.19 101.82 1nec n GLY 105 Ca 0.05 -0.42 0.02 0.00 0.00 0.00 0.00 46.02 45.68 1nec n GLY 105 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nec h ARG 106 N 0.00 0.00 -4.81 1.61 3.08 -1.53 -3.41 114.38 109.32 1nec h ARG 106 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 1nec h ARG 106 Cb 0.28 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 29.96 1nec h ARG 106 CO 0.00 0.51 -0.75 -0.06 -1.07 0.00 0.00 179.97 178.60 1nec s PHE 107 N -3.04 3.34 -0.83 3.04 0.08 -1.26 -4.95 117.98 114.36 1nec s PHE 107 Ca 0.03 -2.29 0.26 0.00 0.12 0.00 0.00 56.93 55.05 1nec s PHE 107 Cb 0.08 -2.15 0.81 0.00 -0.57 0.00 0.00 43.02 41.20 1nec s PHE 107 CO 0.74 -0.87 1.69 0.09 -0.10 0.00 0.00 175.22 176.77 1nec n ASN 108 N 4.47 0.52 -4.14 1.36 3.02 -1.26 -4.59 115.26 114.63 1nec n ASN 108 Ca -0.11 0.37 -0.35 0.00 -0.03 0.00 0.00 54.58 54.46 1nec n ASN 108 Cb 0.42 -0.40 -0.13 0.00 -0.61 0.00 0.00 39.78 39.06 1nec n ASN 108 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1nec s THR 109 N -3.07 2.93 0.66 3.41 2.01 -1.26 -5.03 115.64 115.28 1nec s THR 109 Ca 0.11 -1.63 0.45 0.00 0.31 0.00 0.00 61.69 60.92 1nec s THR 109 Cb 0.15 -2.80 0.45 0.00 0.01 0.00 0.00 72.50 70.31 1nec s THR 109 CO 0.61 -0.27 2.38 -0.65 -0.69 0.00 0.00 174.62 176.00 1nec h PRO 110 N 7.96 0.00 0.00 4.92 0.11 -2.03 0.00 132.00 142.96 1nec h PRO 110 Ca -0.18 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.83 1nec h PRO 110 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1nec h PRO 110 CO 0.56 0.00 -0.48 0.93 -0.21 0.00 0.00 178.00 178.80 1nec h GLU 111 N 0.00 0.00 0.00 1.05 3.07 -1.97 -3.30 114.58 113.44 1nec h GLU 111 Ca -0.00 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.67 1nec h GLU 111 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1nec h GLU 111 CO 0.00 0.48 -0.88 0.00 -1.40 0.00 0.00 179.01 177.22 1nec h ALA 112 N 1.52 0.56 -0.30 3.43 0.00 -1.40 -2.45 119.26 120.60 1nec h ALA 112 Ca -0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 54.91 54.10 1nec h ALA 112 Cb 1.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1nec h ALA 112 CO 0.06 1.05 0.09 -0.22 0.00 0.00 0.00 179.25 180.23 1nec h LYS 113 N 0.02 0.48 -0.33 0.00 3.11 -1.62 -0.22 116.57 118.00 1nec h LYS 113 Ca -0.02 -0.11 -0.11 0.00 -2.81 0.00 0.00 60.65 57.60 1nec h LYS 113 Cb 1.54 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.69 1nec h LYS 113 CO 0.12 0.54 -0.26 0.00 -2.81 0.00 0.00 179.45 177.03 1nec h ALA 114 N 0.92 0.93 -0.35 5.00 0.00 -1.66 -1.31 119.26 122.79 1nec h ALA 114 Ca 0.10 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1nec h ALA 114 Cb 0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1nec h ALA 114 CO -0.00 0.62 0.06 0.00 0.00 0.00 0.00 179.25 179.92 1nec h ALA 115 N 1.13 0.46 -0.35 0.00 0.00 -1.30 -3.00 119.26 116.21 1nec h ALA 115 Ca 0.08 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1nec h ALA 115 Cb 0.75 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1nec h ALA 115 CO 0.06 0.15 -0.37 -0.91 0.00 0.00 0.00 179.25 178.19 1nec h ASN 116 N 0.41 0.85 -0.27 0.00 -0.26 -0.99 -2.90 115.58 112.41 1nec h ASN 116 Ca 0.11 -0.38 -0.01 0.00 -0.56 0.00 0.00 56.30 55.46 1nec h ASN 116 Cb 0.34 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 1nec h ASN 116 CO 0.01 1.13 0.13 -0.74 -1.06 0.00 0.00 177.43 176.89 1nec h HIS 117 N 0.67 0.39 -0.00 1.19 2.76 -1.22 -1.34 115.15 117.60 1nec h HIS 117 Ca 0.06 -0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.11 1nec h HIS 117 Cb 0.92 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.75 1nec h HIS 117 CO 0.05 0.36 -0.49 -0.22 -1.30 0.00 0.00 177.93 176.34 1nec h LYS 118 N 0.31 0.01 -0.22 5.26 3.11 -1.59 0.35 116.57 123.80 1nec h LYS 118 Ca 0.09 -0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.89 1nec h LYS 118 Cb 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.34 1nec h LYS 118 CO -0.01 0.49 -0.00 0.78 -2.81 0.00 0.00 179.45 177.90 1nec h GLY 119 N 1.46 0.42 1.01 5.01 0.00 -1.36 0.23 103.07 109.84 1nec h GLY 119 Ca -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 1nec h GLY 119 CO 0.06 0.29 0.42 -0.09 0.00 0.00 0.00 176.54 177.22 1nec h ARG 120 N 0.15 1.08 0.00 4.80 2.43 -0.76 -0.38 114.38 121.71 1nec h ARG 120 Ca 0.06 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 1nec h ARG 120 Cb 0.41 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1nec h ARG 120 CO 0.01 0.81 -0.43 1.15 -1.51 0.00 0.00 179.97 180.00 1nec h THR 121 N 1.07 1.14 -0.33 0.20 2.02 -0.18 -0.71 112.91 116.12 1nec h THR 121 Ca 0.27 -1.55 -0.15 0.00 0.77 0.00 0.00 66.41 65.76 1nec h THR 121 Cb 0.05 1.87 -0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1nec h THR 121 CO -0.04 0.42 -0.38 0.22 0.37 0.00 0.00 175.52 176.11 1nec h TYR 122 N 0.00 1.02 0.00 3.16 5.03 0.40 -1.31 116.97 125.27 1nec h TYR 122 Ca -0.00 -0.32 -0.00 0.00 2.58 0.00 0.00 58.73 60.99 1nec h TYR 122 Cb 0.84 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 38.91 1nec h TYR 122 CO 0.00 1.12 -0.58 0.74 -1.32 0.00 0.00 178.16 178.12 1nec h PHE 123 N 0.63 0.00 0.00 -3.82 0.04 -0.99 -2.98 116.94 109.82 1nec h PHE 123 Ca 0.05 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.63 1nec h PHE 123 Cb 0.97 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.09 1nec h PHE 123 CO 0.07 0.00 -0.92 0.00 -0.60 0.00 0.00 178.31 176.86 1nec h ALA 124 N 2.00 0.43 0.00 2.45 0.00 -1.18 -3.29 119.26 119.67 1nec h ALA 124 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1nec h ALA 124 Cb 1.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1nec h ALA 124 CO 0.00 1.13 -0.05 -0.25 0.00 0.00 0.00 179.25 180.09 1nec n ASP 125 N -3.31 0.57 0.04 0.00 9.92 -0.49 -1.32 116.55 121.96 1nec n ASP 125 Ca -0.00 0.51 0.14 0.00 -0.53 0.00 0.00 54.79 54.91 1nec n ASP 125 Cb 0.90 -0.64 0.53 0.00 -0.64 0.00 0.00 41.12 41.28 1nec n ASP 125 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 1nec n MET 126 N -2.02 0.11 -0.04 -1.24 1.56 -1.13 -1.58 117.12 112.78 1nec n MET 126 Ca 0.06 0.09 -0.07 0.00 -0.27 0.00 0.00 57.70 57.51 1nec n MET 126 Cb 0.40 -1.63 -0.04 0.00 2.15 0.00 0.00 33.22 34.11 1nec n MET 126 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 1nec n HIS 127 N -1.81 0.00 0.07 1.12 8.25 -1.18 -1.16 115.22 120.51 1nec n HIS 127 Ca 0.06 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.55 1nec n HIS 127 Cb 0.38 -0.33 -0.04 0.00 1.12 0.00 0.00 29.99 31.12 1nec n HIS 127 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1nec h ARG 128 N -0.05 0.00 0.00 -0.41 0.11 -1.34 -0.86 114.38 111.83 1nec h ARG 128 Ca -0.20 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.88 1nec h ARG 128 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1nec h ARG 128 CO -0.05 0.29 -0.49 0.28 0.10 0.00 0.00 179.97 180.10 1nec n VAL 129 N -2.94 1.24 0.01 0.08 0.31 -0.79 -4.65 118.33 111.60 1nec n VAL 129 Ca -0.05 0.26 -0.01 0.00 -0.01 0.00 0.00 64.34 64.53 1nec n VAL 129 Cb 0.77 -1.93 -0.00 0.00 -0.91 0.00 0.00 33.84 31.77 1nec n VAL 129 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1nec h ASP 130 N -0.49 -0.04 1.24 4.52 5.19 -1.45 -3.37 116.42 122.02 1nec h ASP 130 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 1nec h ASP 130 Cb 0.49 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.01 1nec h ASP 130 CO 0.00 -0.01 -0.05 -0.07 -3.12 0.00 0.00 179.24 175.99 1nec h LEU 131 N -0.08 0.00 0.79 1.55 3.38 -1.34 -3.48 115.31 116.14 1nec h LEU 131 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.66 1nec h LEU 131 Cb 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.67 1nec h LEU 131 CO 0.01 0.05 -0.28 0.29 0.09 0.00 0.00 178.44 178.60 1nec n LYS 132 N -3.15 -1.04 -1.32 1.13 5.02 -0.77 -4.91 118.16 113.11 1nec n LYS 132 Ca 0.01 1.00 -0.15 0.00 -2.02 0.00 0.00 58.31 57.16 1nec n LYS 132 Cb 0.39 -5.15 0.12 0.00 -0.02 0.00 0.00 35.03 30.37 1nec n LYS 132 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1nec n ASP 133 N -0.42 4.00 -0.33 4.39 5.75 -0.40 -4.76 116.55 124.77 1nec n ASP 133 Ca -0.15 -3.79 0.02 0.00 -0.01 0.00 0.00 54.79 50.86 1nec n ASP 133 Cb 0.50 -0.56 0.16 0.00 -1.03 0.00 0.00 41.12 40.19 1nec n ASP 133 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 1nec h ASP 134 N 1.58 0.91 -0.75 -1.12 2.03 -1.76 0.44 116.42 117.75 1nec h ASP 134 Ca 0.30 0.02 -0.04 0.00 -0.73 0.00 0.00 57.03 56.58 1nec h ASP 134 Cb 1.42 -0.17 -0.03 0.00 -0.83 0.00 0.00 39.33 39.71 1nec h ASP 134 CO 0.65 0.57 0.32 -2.24 -1.03 0.00 0.00 179.24 177.50 1nec h ASP 135 N 1.04 1.02 0.27 4.15 3.04 -1.86 -0.43 116.42 123.65 1nec h ASP 135 Ca 0.41 -0.16 -0.18 0.00 -3.24 0.00 0.00 57.03 53.85 1nec h ASP 135 Cb 0.20 -0.26 -0.00 0.00 -1.04 0.00 0.00 39.33 38.22 1nec h ASP 135 CO -0.18 0.90 -0.73 1.56 -2.04 0.00 0.00 179.24 178.74 1nec h GLN 136 N 1.08 0.40 -0.58 4.15 1.08 -1.42 -1.68 115.11 118.12 1nec h GLN 136 Ca 0.25 -0.33 -0.06 0.00 -1.45 0.00 0.00 58.65 57.07 1nec h GLN 136 Cb 0.19 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 1nec h GLN 136 CO -0.02 0.97 0.14 2.35 -0.95 0.00 0.00 178.83 181.31 1nec h TRP 137 N 0.27 0.98 -0.05 2.96 7.01 -0.82 -1.08 115.95 125.23 1nec h TRP 137 Ca -0.03 -0.12 -0.15 0.00 2.11 0.00 0.00 58.89 60.70 1nec h TRP 137 Cb 1.31 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 28.08 1nec h TRP 137 CO 0.04 0.84 -0.66 0.52 -2.79 0.00 0.00 178.44 176.39 1nec h MET 138 N 0.84 0.19 -0.32 2.65 2.86 -1.06 -2.80 114.93 117.29 1nec h MET 138 Ca 0.18 -0.15 -0.12 0.00 -2.06 0.00 0.00 59.70 57.55 1nec h MET 138 Cb 0.35 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1nec h MET 138 CO 0.00 0.78 -0.30 0.00 1.06 0.00 0.00 176.91 178.45 1nec h ALA 139 N 1.18 0.87 -0.49 6.32 0.00 -1.02 -2.74 119.26 123.39 1nec h ALA 139 Ca -0.01 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.56 1nec h ALA 139 Cb 1.18 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1nec h ALA 139 CO 0.10 0.63 0.20 0.87 0.00 0.00 0.00 179.25 181.04 1nec h LYS 140 N 0.58 0.38 -0.35 0.00 1.57 -1.13 -1.75 116.57 115.86 1nec h LYS 140 Ca 0.07 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1nec h LYS 140 Cb 0.80 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1nec h LYS 140 CO 0.07 0.25 0.07 1.96 -0.57 0.00 0.00 179.45 181.23 1nec h GLN 141 N 0.39 0.51 -0.37 3.15 1.08 -1.22 -2.25 115.11 116.41 1nec h GLN 141 Ca 0.23 -0.08 -0.15 0.00 -1.45 0.00 0.00 58.65 57.19 1nec h GLN 141 Cb 0.22 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 1nec h GLN 141 CO -0.22 0.48 -0.37 0.28 -0.95 0.00 0.00 178.83 178.05 1nec h VAL 142 N 0.50 1.28 0.00 -0.54 2.07 -1.24 -2.20 116.25 116.12 1nec h VAL 142 Ca 0.12 -1.55 -0.09 0.00 0.82 0.00 0.00 66.70 66.00 1nec h VAL 142 Cb 0.21 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1nec h VAL 142 CO -0.00 0.51 -0.42 1.88 0.02 0.00 0.00 177.57 179.56 1nec h TYR 143 N 0.72 0.00 -0.66 1.57 -1.99 -0.99 -1.51 116.97 114.12 1nec h TYR 143 Ca 0.06 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.71 1nec h TYR 143 Cb 0.95 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.66 1nec h TYR 143 CO 0.06 0.42 0.09 1.25 -0.00 0.00 0.00 178.16 179.97 1nec h LEU 144 N 0.00 1.07 -0.77 3.88 6.46 -1.06 -1.54 115.31 123.35 1nec h LEU 144 Ca -0.00 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.47 1nec h LEU 144 Cb 0.76 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 40.37 1nec h LEU 144 CO 0.05 1.07 0.41 -1.13 -0.62 0.00 0.00 178.44 178.23 1nec h ASN 145 N 1.03 0.97 -0.42 1.25 -0.73 -1.03 -1.97 115.58 114.68 1nec h ASN 145 Ca 0.20 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.26 1nec h ASN 145 Cb 0.47 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.79 1nec h ASN 145 CO 0.02 0.80 0.27 0.58 -0.37 0.00 0.00 177.43 178.72 1nec h VAL 146 N 1.07 1.12 -0.75 2.57 2.07 -0.92 0.30 116.25 121.72 1nec h VAL 146 Ca 0.27 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1nec h VAL 146 Cb 0.05 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1nec h VAL 146 CO -0.04 0.12 0.42 1.23 0.02 0.00 0.00 177.57 179.32 1nec h GLY 147 N 0.57 1.11 0.92 2.17 0.00 -1.02 -0.66 103.07 106.16 1nec h GLY 147 Ca 0.15 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1nec h GLY 147 CO -0.03 0.47 -0.05 -0.57 0.00 0.00 0.00 176.54 176.36 1nec h ASN 148 N 1.03 -0.13 -0.30 0.19 -1.24 -1.05 -2.99 115.58 111.10 1nec h ASN 148 Ca 0.27 0.02 0.04 0.00 0.71 0.00 0.00 56.30 57.33 1nec h ASN 148 Cb 0.01 0.05 -0.04 0.00 0.73 0.00 0.00 38.32 39.07 1nec h ASN 148 CO -0.05 -0.08 0.07 0.15 -1.29 0.00 0.00 177.43 176.24 1nec h PHE 149 N -0.10 0.12 -0.38 0.67 3.57 0.12 -1.74 116.94 119.19 1nec h PHE 149 Ca 0.01 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 1nec h PHE 149 Cb 0.11 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1nec h PHE 149 CO -0.10 0.03 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.86 1nec h LEU 150 N 0.18 0.64 -0.20 0.59 3.38 -1.11 -1.06 115.31 117.73 1nec h LEU 150 Ca 0.14 -0.17 -0.21 0.00 0.09 0.00 0.00 57.88 57.73 1nec h LEU 150 Cb 0.14 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.73 1nec h LEU 150 CO -0.17 0.76 -0.71 0.25 0.09 0.00 0.00 178.44 178.66 1nec h LEU 151 N 0.61 0.97 -0.63 1.67 5.85 -1.43 -2.44 115.31 119.90 1nec h LEU 151 Ca 0.11 -0.60 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 1nec h LEU 151 Cb 0.50 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1nec h LEU 151 CO 0.03 1.40 0.30 1.23 -0.34 0.00 0.00 178.44 181.06 1nec h GLY 152 N 0.59 0.98 1.30 3.75 0.00 -0.97 -1.14 103.07 107.58 1nec h GLY 152 Ca -0.03 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 1nec h GLY 152 CO 0.15 0.46 -0.27 -0.39 0.00 0.00 0.00 176.54 176.49 1nec h VAL 153 N 0.87 1.28 -0.85 4.60 -1.51 -1.23 -0.62 116.25 118.79 1nec h VAL 153 Ca 0.22 -1.41 -0.01 0.00 -1.23 0.00 0.00 66.70 64.26 1nec h VAL 153 Cb 0.12 1.27 -0.04 0.00 -2.13 0.00 0.00 31.29 30.52 1nec h VAL 153 CO -0.03 0.47 0.48 1.23 -1.23 0.00 0.00 177.57 178.49 1nec h GLY 154 N 0.94 1.26 2.00 5.19 0.00 -1.33 -1.85 103.07 109.28 1nec h GLY 154 Ca 0.08 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 1nec h GLY 154 CO 0.07 0.53 -0.33 0.00 0.00 0.00 0.00 176.54 176.81 1nec h ALA 155 N 1.34 1.24 0.00 3.60 0.00 -0.42 -1.47 119.26 123.54 1nec h ALA 155 Ca 0.30 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nec h ALA 155 Cb 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1nec h ALA 155 CO -0.05 0.41 0.00 -1.33 0.00 0.00 0.00 179.25 178.28 1nec n MET 156 N -3.84 0.66 -0.62 0.00 2.81 -0.31 -4.89 117.12 110.93 1nec n MET 156 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1nec n MET 156 Cb 0.41 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 1nec n MET 156 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nec n GLY 157 N 1.13 0.64 3.91 3.03 0.00 -0.55 -5.04 105.19 108.31 1nec n GLY 157 Ca 0.18 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 1nec n GLY 157 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nec s LEU 158 N 0.00 4.10 0.04 0.99 1.43 -0.74 -5.02 118.68 119.47 1nec s LEU 158 Ca 0.00 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1nec s LEU 158 Cb 0.00 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 1nec s LEU 158 CO 0.00 -0.08 0.12 -1.81 0.23 0.00 0.00 176.35 174.80 1nec s ASP 159 N -3.94 5.84 0.29 2.29 1.01 0.26 -3.99 116.67 118.42 1nec s ASP 159 Ca 0.34 0.14 -0.12 0.00 0.71 0.00 0.00 52.55 53.62 1nec s ASP 159 Cb -0.09 -1.68 0.01 0.00 1.01 0.00 0.00 42.92 42.17 1nec s ASP 159 CO 0.28 0.21 0.55 0.00 0.21 0.00 0.00 175.17 176.42 1nec s ALA 160 N -1.34 -0.25 -0.18 5.23 0.00 -1.26 -0.83 121.76 123.14 1nec s ALA 160 Ca 0.28 -0.91 -0.07 0.00 0.00 0.00 0.00 51.96 51.27 1nec s ALA 160 Cb -0.12 1.00 0.08 0.00 0.00 0.00 0.00 23.12 24.08 1nec s ALA 160 CO 0.20 -0.89 0.38 0.54 0.00 0.00 0.00 175.76 175.99 1nec s VAL 161 N -3.59 -0.50 0.08 0.00 0.11 -1.09 -1.46 120.40 113.96 1nec s VAL 161 Ca 0.22 0.18 -0.30 0.00 -2.93 0.00 0.00 61.98 59.15 1nec s VAL 161 Cb -0.02 -0.60 -0.06 0.00 -1.53 0.00 0.00 36.38 34.17 1nec s VAL 161 CO 0.11 0.08 1.12 -2.16 -3.33 0.00 0.00 175.10 170.92 1nec s PRO 162 N 2.38 4.51 -0.12 1.54 0.04 -1.26 -3.75 135.00 138.33 1nec s PRO 162 Ca -0.02 1.67 0.01 0.00 0.04 0.00 0.00 61.00 62.70 1nec s PRO 162 Cb -0.11 -3.35 0.02 0.00 0.04 0.00 0.00 34.50 31.09 1nec s PRO 162 CO -0.12 -0.11 -0.16 0.42 0.04 0.00 0.00 177.00 177.07 1nec s ILE 163 N 0.68 1.58 -0.04 0.56 1.01 0.57 -4.96 121.20 120.60 1nec s ILE 163 Ca 0.54 -0.68 0.15 0.00 0.00 0.00 0.00 60.65 60.67 1nec s ILE 163 Cb -0.27 -1.44 -0.23 0.00 0.01 0.00 0.00 42.46 40.53 1nec s ILE 163 CO 0.30 0.46 0.29 -0.62 0.00 0.00 0.00 174.94 175.37 1nec n GLU 164 N 4.32 0.64 -2.50 2.79 1.02 -1.26 -1.39 120.64 124.26 1nec n GLU 164 Ca -0.19 -0.12 -0.43 0.00 -0.02 0.00 0.00 57.16 56.41 1nec n GLU 164 Cb 0.51 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 1nec n GLU 164 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nec n GLY 165 N 1.72 2.94 3.33 0.62 0.00 -1.26 -4.86 105.19 107.68 1nec n GLY 165 Ca -0.06 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 1nec n GLY 165 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1nec s PHE 166 N 3.78 -0.25 -0.52 1.61 -0.71 -1.26 -4.76 117.98 115.86 1nec s PHE 166 Ca 0.52 -0.03 -0.19 0.00 -1.04 0.00 0.00 56.93 56.19 1nec s PHE 166 Cb 0.05 0.30 0.07 0.00 -1.21 0.00 0.00 43.02 42.22 1nec s PHE 166 CO 0.05 -0.71 0.65 0.34 -1.34 0.00 0.00 175.22 174.20 1nec s ASP 167 N -2.74 6.22 0.35 1.98 -1.08 0.75 -4.93 116.67 117.22 1nec s ASP 167 Ca 0.02 -1.00 0.06 0.00 -0.52 0.00 0.00 52.55 51.11 1nec s ASP 167 Cb 0.01 -2.29 0.66 0.00 -1.46 0.00 0.00 42.92 39.84 1nec s ASP 167 CO -0.11 -0.94 1.88 0.00 0.52 0.00 0.00 175.17 176.51 1nec h ALA 168 N 9.04 1.41 -0.56 3.66 0.00 -1.90 -1.48 119.26 129.43 1nec h ALA 168 Ca -0.28 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 1nec h ALA 168 Cb 1.09 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1nec h ALA 168 CO 0.99 0.41 0.07 0.00 0.00 0.00 0.00 179.25 180.72 1nec h ALA 169 N 1.55 1.06 -0.09 0.00 0.00 -1.94 0.37 119.26 120.20 1nec h ALA 169 Ca 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1nec h ALA 169 Cb 0.37 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1nec h ALA 169 CO 0.02 0.60 -0.02 0.82 0.00 0.00 0.00 179.25 180.67 1nec h ILE 170 N 0.86 1.28 -0.59 0.00 2.04 -1.83 -1.58 117.51 117.69 1nec h ILE 170 Ca 0.17 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 65.13 1nec h ILE 170 Cb 0.41 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 1nec h ILE 170 CO 0.01 0.26 0.38 0.25 0.00 0.00 0.00 178.15 179.05 1nec h LEU 171 N -0.14 0.65 -0.69 1.44 5.85 -0.82 -1.02 115.31 120.58 1nec h LEU 171 Ca 0.02 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1nec h LEU 171 Cb 0.41 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1nec h LEU 171 CO 0.01 0.47 0.24 0.44 -0.34 0.00 0.00 178.44 179.26 1nec h ASP 172 N 0.77 0.99 -0.66 1.25 3.32 -0.23 -2.73 116.42 119.13 1nec h ASP 172 Ca 0.22 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1nec h ASP 172 Cb -0.06 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.20 1nec h ASP 172 CO -0.06 0.91 0.23 -0.08 -1.72 0.00 0.00 179.24 178.52 1nec h GLU 173 N 1.00 1.02 -0.33 3.56 4.81 -0.90 -1.18 114.58 122.56 1nec h GLU 173 Ca 0.23 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1nec h GLU 173 Cb 0.26 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1nec h GLU 173 CO -0.01 0.88 -0.01 1.49 -0.73 0.00 0.00 179.01 180.63 1nec h GLU 174 N 0.96 0.52 -0.45 1.92 4.57 -0.96 -3.04 114.58 118.10 1nec h GLU 174 Ca 0.22 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1nec h GLU 174 Cb 0.27 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1nec h GLU 174 CO -0.01 0.55 0.00 1.19 -1.18 0.00 0.00 179.01 179.56 1nec n PHE 175 N -4.27 0.60 -3.78 0.92 3.01 -1.05 -4.99 117.46 107.90 1nec n PHE 175 Ca 0.01 -0.50 -0.27 0.00 1.01 0.00 0.00 57.45 57.71 1nec n PHE 175 Cb 0.25 -0.02 0.04 0.00 -0.01 0.00 0.00 39.48 39.74 1nec n PHE 175 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nec n GLY 176 N 0.81 -0.47 0.21 1.37 0.00 -0.72 -4.91 105.19 101.49 1nec n GLY 176 Ca 0.15 0.20 -0.09 0.00 0.00 0.00 0.00 46.02 46.28 1nec n GLY 176 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1nec h LEU 177 N -2.21 0.60 -0.79 0.99 3.38 -1.52 -3.20 115.31 112.55 1nec h LEU 177 Ca -0.58 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.10 1nec h LEU 177 Cb 1.37 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 1nec h LEU 177 CO 0.62 1.02 0.51 0.50 0.09 0.00 0.00 178.44 181.17 1nec h LYS 178 N 0.42 0.97 0.00 1.13 3.64 -1.75 -0.40 116.57 120.58 1nec h LYS 178 Ca 0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1nec h LYS 178 Cb 1.06 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1nec h LYS 178 CO 0.10 0.64 0.00 1.05 -2.27 0.00 0.00 179.45 178.97 1nec h GLU 179 N 1.00 0.00 -0.01 1.90 4.11 -1.88 -2.65 114.58 117.05 1nec h GLU 179 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.74 1nec h GLU 179 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1nec h GLU 179 CO -0.10 0.00 -0.29 1.63 0.07 0.00 0.00 179.01 180.32 1nec n LYS 180 N -2.65 0.88 -1.20 1.06 5.02 -0.24 -4.96 118.16 116.07 1nec n LYS 180 Ca 0.03 -0.55 0.00 0.00 -2.02 0.00 0.00 58.31 55.76 1nec n LYS 180 Cb 0.34 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1nec n LYS 180 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nec n GLY 181 N 1.35 0.87 3.19 0.72 0.00 -0.87 -5.05 105.19 105.40 1nec n GLY 181 Ca 0.12 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 1nec n GLY 181 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nec s PHE 182 N -2.00 1.18 0.00 1.61 0.08 -0.70 -1.99 117.98 116.16 1nec s PHE 182 Ca 0.00 -0.58 -0.00 0.00 0.12 0.00 0.00 56.93 56.47 1nec s PHE 182 Cb 0.00 -0.64 -0.00 0.00 -0.57 0.00 0.00 43.02 41.81 1nec s PHE 182 CO 0.00 0.05 0.00 -0.08 -0.10 0.00 0.00 175.22 175.10 1nec s THR 183 N -2.08 0.01 0.16 0.64 -1.32 -0.17 -3.30 115.64 109.58 1nec s THR 183 Ca 0.04 -0.09 -0.26 0.00 -1.21 0.00 0.00 61.69 60.17 1nec s THR 183 Cb -0.05 -0.04 -0.08 0.00 -1.51 0.00 0.00 72.50 70.82 1nec s THR 183 CO 0.01 -0.05 0.82 -0.94 -2.21 0.00 0.00 174.62 172.25 1nec s SER 184 N -0.14 7.42 0.00 8.08 1.04 -1.26 -0.71 113.70 128.13 1nec s SER 184 Ca -0.02 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.10 1nec s SER 184 Cb -0.01 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1nec s SER 184 CO -0.00 0.16 0.00 0.18 0.98 0.00 0.00 173.24 174.56 1nec n LEU 185 N 1.80 2.61 -3.82 2.42 4.77 0.49 -4.89 117.00 120.37 1nec n LEU 185 Ca -0.04 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.81 1nec n LEU 185 Cb 0.49 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.44 1nec n LEU 185 CO 0.47 0.43 -0.25 -0.69 -1.33 0.00 0.00 177.39 176.02 1nec s VAL 186 N -1.90 -0.01 -0.11 4.08 1.01 -1.16 -4.83 120.40 117.48 1nec s VAL 186 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1nec s VAL 186 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.20 1nec s VAL 186 CO 0.00 0.01 -0.11 -0.69 0.00 0.00 0.00 175.10 174.31 1nec s VAL 187 N 0.25 3.26 -0.34 2.92 1.01 -0.49 -0.56 120.40 126.45 1nec s VAL 187 Ca -0.02 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 1nec s VAL 187 Cb -0.03 -2.36 0.11 0.00 0.00 0.00 0.00 36.38 34.11 1nec s VAL 187 CO -0.01 0.54 0.15 -0.69 0.00 0.00 0.00 175.10 175.09 1nec s VAL 188 N 0.01 0.81 0.20 2.92 1.01 0.40 -0.32 120.40 125.43 1nec s VAL 188 Ca -0.03 -1.65 -0.30 0.00 0.00 0.00 0.00 61.98 60.00 1nec s VAL 188 Cb -0.14 -1.61 -0.09 0.00 0.00 0.00 0.00 36.38 34.55 1nec s VAL 188 CO 0.04 -0.77 1.33 -2.84 0.00 0.00 0.00 175.10 172.86 1nec s PRO 189 N 1.30 4.37 0.02 2.72 0.02 -1.25 -1.99 135.00 140.18 1nec s PRO 189 Ca 0.13 2.09 0.06 0.00 0.02 0.00 0.00 61.00 63.29 1nec s PRO 189 Cb -0.20 -3.19 -0.02 0.00 0.02 0.00 0.00 34.50 31.12 1nec s PRO 189 CO -0.17 -0.29 -0.17 0.08 -0.33 0.00 0.00 177.00 176.12 1nec s VAL 190 N 0.20 1.31 -0.76 3.83 1.01 0.12 -2.65 120.40 123.46 1nec s VAL 190 Ca 0.58 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1nec s VAL 190 Cb -0.37 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1nec s VAL 190 CO 0.38 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1nec n GLY 191 N 2.15 -0.69 2.98 4.51 0.00 -0.01 -1.54 105.19 112.59 1nec n GLY 191 Ca -0.17 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 1nec n GLY 191 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nec s HIS 192 N -4.00 0.87 0.61 1.61 3.76 -1.26 -0.58 115.29 116.30 1nec s HIS 192 Ca 0.00 -0.22 -0.18 0.00 -0.15 0.00 0.00 55.06 54.51 1nec s HIS 192 Cb 0.00 -0.64 -0.03 0.00 1.11 0.00 0.00 32.58 33.02 1nec s HIS 192 CO 0.00 -0.10 1.22 -3.38 -0.85 0.00 0.00 174.74 171.62 1nec s HIS 193 N 0.27 2.34 0.83 1.40 -0.00 -1.26 -0.72 115.29 118.15 1nec s HIS 193 Ca -0.04 1.52 -0.12 0.00 -0.00 0.00 0.00 55.06 56.42 1nec s HIS 193 Cb -0.09 -3.50 0.09 0.00 -0.00 0.00 0.00 32.58 29.08 1nec s HIS 193 CO 0.00 -2.31 1.11 0.45 -0.00 0.00 0.00 174.74 173.99 1nec s SER 194 N -1.61 4.19 0.46 7.38 0.15 0.45 -4.27 113.70 120.44 1nec s SER 194 Ca 0.78 1.20 0.23 0.00 0.70 0.00 0.00 55.95 58.86 1nec s SER 194 Cb -0.31 -1.89 1.08 0.00 -1.71 0.00 0.00 66.02 63.20 1nec s SER 194 CO 0.35 -2.15 1.91 -0.37 1.20 0.00 0.00 173.24 174.18 1nec h VAL 195 N -1.22 0.68 -0.39 4.45 -1.51 -1.95 0.42 116.25 116.74 1nec h VAL 195 Ca -0.48 -0.96 0.00 0.00 -1.23 0.00 0.00 66.70 64.03 1nec h VAL 195 Cb 1.29 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 32.06 1nec h VAL 195 CO 0.60 0.22 0.00 -0.62 -1.23 0.00 0.00 177.57 176.54 1nec n GLU 196 N -3.59 3.64 -2.67 5.19 1.02 -1.26 -4.79 120.64 118.18 1nec n GLU 196 Ca -0.01 -2.14 -0.42 0.00 -0.02 0.00 0.00 57.16 54.57 1nec n GLU 196 Cb 0.36 -2.02 -0.03 0.00 -0.02 0.00 0.00 31.44 29.73 1nec n GLU 196 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1nec s ASP 197 N -0.53 6.20 0.42 1.62 2.15 0.14 -4.78 116.67 121.88 1nec s ASP 197 Ca 0.37 -0.77 0.10 0.00 0.43 0.00 0.00 52.55 52.69 1nec s ASP 197 Cb 0.28 -2.51 0.89 0.00 -0.30 0.00 0.00 42.92 41.29 1nec s ASP 197 CO 0.11 -1.65 1.99 2.19 -0.17 0.00 0.00 175.17 177.64 1nec h PHE 198 N 9.81 0.27 0.00 -5.34 -0.00 -1.88 -1.92 116.94 117.88 1nec h PHE 198 Ca -0.23 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.97 57.70 1nec h PHE 198 Cb 1.05 -0.08 -0.00 0.00 -0.00 0.00 0.00 35.95 36.92 1nec h PHE 198 CO 1.08 0.29 -0.12 -0.97 -0.00 0.00 0.00 178.31 178.60 1nec h ASN 199 N 0.26 0.00 0.11 -0.68 -1.24 -1.88 -3.08 115.58 109.07 1nec h ASN 199 Ca 0.06 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.05 1nec h ASN 199 Cb 0.20 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.24 1nec h ASN 199 CO 0.00 0.12 -0.12 0.00 -1.29 0.00 0.00 177.43 176.14 1nec h ALA 200 N 1.88 1.79 -0.10 1.57 0.00 -1.66 -3.04 119.26 119.70 1nec h ALA 200 Ca -0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1nec h ALA 200 Cb 0.53 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1nec h ALA 200 CO 0.02 0.16 -0.00 0.25 0.00 0.00 0.00 179.25 179.67 1nec n THR 201 N -4.39 2.05 -3.65 0.00 -2.24 -1.17 -4.97 114.28 99.91 1nec n THR 201 Ca -0.03 -2.13 -0.31 0.00 -2.27 0.00 0.00 64.05 59.31 1nec n THR 201 Cb 0.19 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.13 1nec n THR 201 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1nec s LEU 202 N -2.87 4.26 0.53 3.22 1.43 -1.15 -5.07 118.68 119.03 1nec s LEU 202 Ca 0.36 0.61 -0.21 0.00 -1.03 0.00 0.00 54.13 53.87 1nec s LEU 202 Cb 0.31 -3.34 -0.06 0.00 0.03 0.00 0.00 46.19 43.13 1nec s LEU 202 CO 0.05 0.04 1.19 -2.16 0.23 0.00 0.00 176.35 175.70 1nec s PRO 203 N -2.67 3.38 0.44 1.29 0.04 -1.26 -5.02 135.00 131.20 1nec s PRO 203 Ca 0.42 1.80 -0.22 0.00 0.04 0.00 0.00 61.00 63.04 1nec s PRO 203 Cb -0.12 -2.16 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 1nec s PRO 203 CO 0.24 -0.88 1.03 0.15 0.04 0.00 0.00 177.00 177.59 1nec s LYS 204 N -3.03 3.99 -0.04 4.56 1.02 -1.26 -5.06 119.74 119.92 1nec s LYS 204 Ca 0.70 1.40 0.02 0.00 0.02 0.00 0.00 55.97 58.12 1nec s LYS 204 Cb -0.29 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 34.74 1nec s LYS 204 CO 0.34 -0.27 -0.08 0.45 -0.92 0.00 0.00 175.35 174.87 1nec s SER 205 N -1.82 1.19 0.04 2.83 0.15 -1.26 -5.14 113.70 109.68 1nec s SER 205 Ca 0.63 -0.18 -0.12 0.00 0.70 0.00 0.00 55.95 56.97 1nec s SER 205 Cb -0.18 -0.45 0.01 0.00 -1.71 0.00 0.00 66.02 63.69 1nec s SER 205 CO 0.22 0.02 0.26 -0.13 1.20 0.00 0.00 173.24 174.81 1nec s ARG 206 N 0.52 0.75 0.60 5.44 1.81 -1.26 -5.15 118.95 121.66 1nec s ARG 206 Ca -0.08 -0.53 -0.19 0.00 -1.72 0.00 0.00 55.73 53.21 1nec s ARG 206 Cb -0.12 0.32 -0.03 0.00 -0.45 0.00 0.00 34.95 34.67 1nec s ARG 206 CO 0.01 -0.23 1.25 -0.51 -0.68 0.00 0.00 175.30 175.14 1nec s LEU 207 N -2.02 3.68 0.65 2.53 1.43 -1.26 -4.98 118.68 118.70 1nec s LEU 207 Ca -0.06 2.50 -0.15 0.00 -1.03 0.00 0.00 54.13 55.39 1nec s LEU 207 Cb -0.01 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.65 1nec s LEU 207 CO -0.03 -1.68 1.11 -2.16 0.23 0.00 0.00 176.35 173.82 1nec s PRO 208 N -3.27 2.85 0.50 1.29 0.04 -1.26 -4.87 135.00 130.28 1nec s PRO 208 Ca 0.78 1.42 0.17 0.00 0.04 0.00 0.00 61.00 63.41 1nec s PRO 208 Cb -0.34 -1.95 1.22 0.00 0.04 0.00 0.00 34.50 33.47 1nec s PRO 208 CO 0.37 -1.21 2.09 -0.07 0.04 0.00 0.00 177.00 178.21 1nec h LEU 209 N 0.16 0.10 -1.67 -3.56 3.38 -1.96 -1.83 115.31 109.93 1nec h LEU 209 Ca -0.47 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.52 1nec h LEU 209 Cb 1.25 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 1nec h LEU 209 CO 0.54 0.07 0.25 0.77 0.09 0.00 0.00 178.44 180.16 1nec h SER 210 N 0.12 0.38 0.07 -0.43 4.64 -1.92 0.23 113.55 116.63 1nec h SER 210 Ca 0.11 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.27 1nec h SER 210 Cb 0.28 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1nec h SER 210 CO -0.01 0.27 -0.73 0.74 -0.87 0.00 0.00 176.83 176.23 1nec h THR 211 N 0.44 1.44 0.00 2.95 2.02 -1.72 -3.41 112.91 114.63 1nec h THR 211 Ca 0.15 -2.41 0.00 0.00 0.77 0.00 0.00 66.41 64.92 1nec h THR 211 Cb 0.05 3.05 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 1nec h THR 211 CO -0.03 0.63 -0.92 2.30 0.37 0.00 0.00 175.52 177.87 1nec n ILE 212 N -4.28 0.39 -5.12 3.11 -5.35 -0.88 -4.91 119.36 102.33 1nec n ILE 212 Ca -0.17 -0.38 -0.32 0.00 -0.27 0.00 0.00 62.75 61.62 1nec n ILE 212 Cb 0.71 -0.11 -0.15 0.00 -1.74 0.00 0.00 39.64 38.35 1nec n ILE 212 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1nec s VAL 213 N -3.26 2.49 -0.22 7.28 1.01 0.75 -5.07 120.40 123.37 1nec s VAL 213 Ca 0.03 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1nec s VAL 213 Cb 0.12 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.59 1nec s VAL 213 CO 0.77 0.58 -0.10 -0.89 0.00 0.00 0.00 175.10 175.46 1nec s THR 214 N -0.54 2.77 -0.19 3.92 2.01 -1.26 -4.69 115.64 117.66 1nec s THR 214 Ca 0.07 -0.83 -0.13 0.00 0.31 0.00 0.00 61.69 61.12 1nec s THR 214 Cb -0.11 -2.29 -0.05 0.00 0.01 0.00 0.00 72.50 70.06 1nec s THR 214 CO 0.01 0.38 0.26 -1.61 -0.69 0.00 0.00 174.62 172.96 1nec s GLU 215 N 1.36 4.20 0.00 4.92 2.02 -1.26 -5.25 118.70 124.69 1nec s GLU 215 Ca 0.03 -0.01 0.00 0.00 0.02 0.00 0.00 54.97 55.01 1nec s GLU 215 Cb -0.15 -3.46 0.00 0.00 0.10 0.00 0.00 34.13 30.62 1nec s GLU 215 CO -0.07 0.17 0.15 0.00 0.02 0.00 0.00 175.26 175.54