#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 1.33 -0.87 5.18 6.09 -2.02 -3.10 117.51 124.11 1nec h ILE 2 Ca 0.00 -1.92 0.01 0.00 -1.37 0.00 0.00 64.86 61.57 1nec h ILE 2 Cb 0.00 1.89 -0.04 0.00 0.47 0.00 0.00 36.82 39.14 1nec h ILE 2 CO 0.00 0.60 0.57 0.40 -3.07 0.00 0.00 178.15 176.65 1nec h ILE 3 N 0.43 1.23 -0.75 2.19 1.08 -2.04 0.16 117.51 119.80 1nec h ILE 3 Ca -0.01 -0.42 -0.06 0.00 -0.39 0.00 0.00 64.86 63.98 1nec h ILE 3 Cb 1.22 -0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 1nec h ILE 3 CO 0.12 0.22 0.24 0.28 -0.69 0.00 0.00 178.15 178.32 1nec h SER 4 N 1.18 1.08 0.23 1.72 0.02 -1.97 -1.04 113.55 114.77 1nec h SER 4 Ca 0.32 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1nec h SER 4 Cb -0.13 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.11 1nec h SER 4 CO -0.07 1.00 -0.27 0.58 -1.14 0.00 0.00 176.83 176.93 1nec h VAL 5 N 1.11 0.41 -0.98 2.27 2.07 -1.39 -0.93 116.25 118.82 1nec h VAL 5 Ca 0.24 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.94 1nec h VAL 5 Cb 0.30 0.41 -0.11 0.00 -1.52 0.00 0.00 31.29 30.38 1nec h VAL 5 CO -0.01 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.16 1nec h ALA 6 N 0.09 1.59 0.00 1.67 0.00 -0.61 -0.87 119.26 121.14 1nec h ALA 6 Ca 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1nec h ALA 6 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1nec h ALA 6 CO -0.09 -0.06 -0.24 -0.07 0.00 0.00 0.00 179.25 178.79 1nec h LEU 7 N 0.73 0.00 0.04 0.00 3.38 -0.66 -3.35 115.31 115.46 1nec h LEU 7 Ca 0.56 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 58.19 1nec h LEU 7 Cb 0.86 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 1nec h LEU 7 CO -0.38 0.24 -2.02 0.29 0.09 0.00 0.00 178.44 176.66 1nec n LYS 8 N -3.17 0.69 -1.71 1.13 4.76 -0.40 -4.93 118.16 114.53 1nec n LYS 8 Ca 0.03 0.22 -0.39 0.00 -2.87 0.00 0.00 58.31 55.30 1nec n LYS 8 Cb 0.62 -1.69 0.04 0.00 -1.84 0.00 0.00 35.03 32.17 1nec n LYS 8 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1nec n ARG 9 N -3.18 1.46 -3.87 1.97 1.85 -0.39 -5.03 116.66 109.47 1nec n ARG 9 Ca -0.28 0.54 -0.09 0.00 -1.00 0.00 0.00 57.85 57.02 1nec n ARG 9 Cb 1.06 -2.45 -0.07 0.00 -1.05 0.00 0.00 32.46 29.95 1nec n ARG 9 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 1nec s HIS 10 N -1.34 0.19 -0.48 2.89 -3.43 -1.26 -5.03 115.29 106.84 1nec s HIS 10 Ca 0.73 -0.59 -0.28 0.00 -0.80 0.00 0.00 55.06 54.11 1nec s HIS 10 Cb -0.43 -0.02 0.03 0.00 -1.43 0.00 0.00 32.58 30.73 1nec s HIS 10 CO 0.49 -0.62 1.09 -1.12 -2.00 0.00 0.00 174.74 172.58 1nec s SER 11 N -2.89 6.60 0.08 7.38 0.01 -1.26 -4.48 113.70 119.14 1nec s SER 11 Ca 0.09 0.38 -0.31 0.00 1.31 0.00 0.00 55.95 57.42 1nec s SER 11 Cb 0.04 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.66 1nec s SER 11 CO -0.08 -1.22 1.53 -0.89 0.41 0.00 0.00 173.24 172.99 1nec s THR 12 N 4.32 3.16 -0.15 1.44 2.01 -0.66 -4.82 115.64 120.94 1nec s THR 12 Ca 0.46 0.70 0.21 0.00 0.31 0.00 0.00 61.69 63.37 1nec s THR 12 Cb -0.08 -3.45 -0.15 0.00 0.01 0.00 0.00 72.50 68.83 1nec s THR 12 CO 0.31 0.02 0.76 0.29 -0.69 0.00 0.00 174.62 175.31 1nec n LYS 13 N 4.90 0.63 -3.76 4.92 4.76 -1.26 -4.65 118.16 123.69 1nec n LYS 13 Ca 0.14 0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.49 1nec n LYS 13 Cb 0.41 -1.71 -0.13 0.00 -1.84 0.00 0.00 35.03 31.76 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 -3.25 -0.40 0.03 7.82 0.00 -1.26 -4.74 121.76 119.95 1nec s ALA 14 Ca -0.04 0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.65 1nec s ALA 14 Cb 0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1nec s ALA 14 CO 0.83 -0.15 0.08 -0.06 0.00 0.00 0.00 175.76 176.47 1nec s PHE 15 N 0.87 3.26 -0.27 0.00 0.40 -1.26 -1.52 117.98 119.46 1nec s PHE 15 Ca -0.06 0.16 -0.29 0.00 -0.60 0.00 0.00 56.93 56.13 1nec s PHE 15 Cb -0.08 -1.70 0.01 0.00 0.51 0.00 0.00 43.02 41.77 1nec s PHE 15 CO -0.05 0.54 1.06 0.34 0.70 0.00 0.00 175.22 177.81 1nec s ASP 16 N -1.99 7.03 0.00 1.36 -1.08 0.52 -4.59 116.67 117.92 1nec s ASP 16 Ca 0.26 1.25 0.23 0.00 -0.52 0.00 0.00 52.55 53.77 1nec s ASP 16 Cb -0.12 -2.54 1.03 0.00 -1.46 0.00 0.00 42.92 39.83 1nec s ASP 16 CO 0.17 -0.76 1.75 0.00 0.52 0.00 0.00 175.17 176.86 1nec n ALA 17 N 6.56 2.09 0.92 3.66 0.00 -1.25 -2.68 120.51 129.81 1nec n ALA 17 Ca 0.12 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.59 1nec n ALA 17 Cb 0.46 -1.38 0.18 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.46 0.58 -4.54 0.00 3.41 -1.26 -4.85 113.62 105.50 1nec n SER 18 Ca 0.07 -0.29 -0.37 0.00 -0.26 0.00 0.00 58.87 58.02 1nec n SER 18 Cb 0.26 0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 64.46 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 -3.03 3.83 0.22 4.33 1.02 -1.09 -5.07 119.74 119.95 1nec s LYS 19 Ca 0.10 -0.39 0.12 0.00 0.02 0.00 0.00 55.97 55.81 1nec s LYS 19 Cb 0.17 -3.44 -0.05 0.00 -0.52 0.00 0.00 37.83 33.99 1nec s LYS 19 CO 0.73 -0.10 -0.23 0.15 -0.92 0.00 0.00 175.35 174.98 1nec s LYS 20 N 1.44 1.57 0.49 1.68 -0.14 -1.26 -4.45 119.74 119.07 1nec s LYS 20 Ca 0.06 -1.59 -0.21 0.00 -1.36 0.00 0.00 55.97 52.87 1nec s LYS 20 Cb -0.15 -1.83 -0.07 0.00 -1.68 0.00 0.00 37.83 34.10 1nec s LYS 20 CO 0.06 0.38 1.11 -0.51 -0.76 0.00 0.00 175.35 175.63 1nec s LEU 21 N -2.90 3.89 0.91 3.17 1.43 -1.26 -5.04 118.68 118.87 1nec s LEU 21 Ca 0.23 2.14 -0.12 0.00 -1.03 0.00 0.00 54.13 55.35 1nec s LEU 21 Cb -0.07 -4.44 0.14 0.00 0.03 0.00 0.00 46.19 41.84 1nec s LEU 21 CO 0.11 -0.95 1.09 0.42 0.23 0.00 0.00 176.35 177.25 1nec s THR 22 N -1.75 2.54 0.35 5.49 -4.23 -1.26 -4.87 115.64 111.91 1nec s THR 22 Ca 0.67 0.17 0.05 0.00 -1.18 0.00 0.00 61.69 61.40 1nec s THR 22 Cb -0.23 -2.70 0.18 0.00 1.34 0.00 0.00 72.50 71.09 1nec s THR 22 CO 0.27 -0.23 1.91 0.00 -0.54 0.00 0.00 174.62 176.03 1nec h ALA 23 N -1.58 1.42 -0.64 3.99 0.00 -1.99 -1.79 119.26 118.68 1nec h ALA 23 Ca -0.50 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.15 1nec h ALA 23 Cb 1.29 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1nec h ALA 23 CO 0.56 0.41 0.08 1.49 0.00 0.00 0.00 179.25 181.79 1nec h GLU 24 N 0.53 1.07 -0.42 0.00 4.81 -1.99 -1.78 114.58 116.80 1nec h GLU 24 Ca 0.12 -0.30 -0.14 0.00 -0.13 0.00 0.00 59.36 58.91 1nec h GLU 24 Cb 0.26 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1nec h GLU 24 CO 0.00 1.01 -0.27 0.93 -0.73 0.00 0.00 179.01 179.94 1nec h GLU 25 N 0.98 0.90 -0.64 1.92 5.08 -1.74 -1.17 114.58 119.92 1nec h GLU 25 Ca 0.19 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1nec h GLU 25 Cb 0.47 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1nec h GLU 25 CO 0.02 1.06 0.37 0.00 -1.00 0.00 0.00 179.01 179.45 1nec h ALA 26 N 0.92 0.82 -0.54 3.43 0.00 -1.27 -0.61 119.26 122.00 1nec h ALA 26 Ca 0.09 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1nec h ALA 26 Cb 0.84 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1nec h ALA 26 CO 0.07 0.31 0.10 0.93 0.00 0.00 0.00 179.25 180.67 1nec h GLU 27 N 0.87 0.88 -0.33 0.00 4.39 -1.10 -3.08 114.58 116.21 1nec h GLU 27 Ca 0.23 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1nec h GLU 27 Cb 0.01 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 1nec h GLU 27 CO -0.04 0.85 -0.17 0.87 -1.16 0.00 0.00 179.01 179.36 1nec h LYS 28 N 0.77 0.60 -0.33 2.33 1.57 -0.87 -2.61 116.57 118.03 1nec h LYS 28 Ca 0.17 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1nec h LYS 28 Cb 0.38 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1nec h LYS 28 CO 0.01 0.74 -0.09 -0.84 -0.57 0.00 0.00 179.45 178.70 1nec h ILE 29 N 0.54 1.23 -0.12 1.86 3.07 -1.03 -1.40 117.51 121.66 1nec h ILE 29 Ca 0.09 -0.98 -0.09 0.00 1.55 0.00 0.00 64.86 65.43 1nec h ILE 29 Cb 0.60 1.07 -0.01 0.00 -0.27 0.00 0.00 36.82 38.21 1nec h ILE 29 CO 0.04 0.33 -0.32 0.11 -1.05 0.00 0.00 178.15 177.26 1nec h LYS 30 N 0.51 0.23 -0.54 0.16 1.57 -1.47 -2.69 116.57 114.34 1nec h LYS 30 Ca 0.10 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1nec h LYS 30 Cb 0.46 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1nec h LYS 30 CO 0.02 0.53 -0.04 1.15 -0.57 0.00 0.00 179.45 180.55 1nec h THR 31 N 0.20 1.27 -0.44 -0.16 2.02 -0.89 -2.29 112.91 112.63 1nec h THR 31 Ca 0.03 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.04 1nec h THR 31 Cb 0.67 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1nec h THR 31 CO 0.05 0.42 0.27 -0.07 0.37 0.00 0.00 175.52 176.56 1nec h LEU 32 N 0.86 0.51 -0.32 2.58 3.38 -1.28 -0.73 115.31 120.32 1nec h LEU 32 Ca 0.15 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1nec h LEU 32 Cb 0.59 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1nec h LEU 32 CO 0.04 0.40 0.03 -0.07 0.09 0.00 0.00 178.44 178.92 1nec h LEU 33 N 0.58 -0.06 -0.63 1.67 3.38 -1.37 -3.09 115.31 115.79 1nec h LEU 33 Ca 0.16 0.06 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 1nec h LEU 33 Cb -0.03 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1nec h LEU 33 CO -0.03 0.01 -0.24 -0.61 0.09 0.00 0.00 178.44 177.65 1nec h GLN 34 N 0.13 0.82 -0.26 1.13 4.15 -1.15 -3.29 115.11 116.64 1nec h GLN 34 Ca 0.15 -0.35 0.00 0.00 0.77 0.00 0.00 58.65 59.23 1nec h GLN 34 Cb 0.19 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1nec h GLN 34 CO -0.23 0.98 0.00 0.66 -1.93 0.00 0.00 178.83 178.31 1nec n TYR 35 N -4.10 0.33 -2.02 3.99 4.02 -0.30 -4.93 117.16 114.14 1nec n TYR 35 Ca -0.00 -0.17 -0.39 0.00 -0.01 0.00 0.00 57.90 57.34 1nec n TYR 35 Cb 0.45 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.78 1nec n TYR 35 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1nec s SER 36 N -1.45 5.99 0.90 7.72 0.15 -1.18 -5.00 113.70 120.83 1nec s SER 36 Ca 0.33 2.61 -0.12 0.00 0.70 0.00 0.00 55.95 59.48 1nec s SER 36 Cb 0.18 -2.63 0.13 0.00 -1.71 0.00 0.00 66.02 61.99 1nec s SER 36 CO 0.26 -1.07 1.09 -2.16 1.20 0.00 0.00 173.24 172.57 1nec s PRO 37 N -2.53 1.25 -0.04 5.44 0.04 -1.26 -5.02 135.00 132.87 1nec s PRO 37 Ca 0.62 0.80 -0.30 0.00 0.04 0.00 0.00 61.00 62.16 1nec s PRO 37 Cb -0.37 -1.81 0.08 0.00 0.04 0.00 0.00 34.50 32.44 1nec s PRO 37 CO 0.46 -2.24 0.72 -1.54 0.04 0.00 0.00 177.00 174.43 1nec s SER 38 N -3.44 -0.61 0.10 6.66 1.04 -1.26 -4.71 113.70 111.48 1nec s SER 38 Ca 0.63 0.59 -0.31 0.00 0.48 0.00 0.00 55.95 57.35 1nec s SER 38 Cb -0.18 0.51 -0.10 0.00 0.10 0.00 0.00 66.02 66.35 1nec s SER 38 CO 0.57 -0.61 1.85 -0.55 0.98 0.00 0.00 173.24 175.48 1nec s SER 39 N -1.35 6.44 -0.07 7.02 0.15 -1.26 -1.49 113.70 123.14 1nec s SER 39 Ca -0.08 2.71 0.00 0.00 0.70 0.00 0.00 55.95 59.28 1nec s SER 39 Cb -0.00 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1nec s SER 39 CO 0.06 -1.01 0.00 0.35 1.20 0.00 0.00 173.24 173.84 1nec n THR 40 N 4.96 0.00 -2.66 6.45 -2.24 -1.26 -2.00 114.28 117.52 1nec n THR 40 Ca 0.18 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.76 1nec n THR 40 Cb 0.39 -0.71 0.01 0.00 -2.10 0.00 0.00 70.33 67.93 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 -0.65 -5.62 0.15 3.42 5.15 -0.56 -4.89 115.26 112.26 1nec n ASN 41 Ca -0.01 -0.14 -0.00 0.00 -0.60 0.00 0.00 54.58 53.83 1nec n ASN 41 Cb 0.34 -4.56 0.24 0.00 -0.53 0.00 0.00 39.78 35.27 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 -0.66 0.01 -6.80 1.20 4.64 -1.60 -3.47 113.55 106.88 1nec h SER 42 Ca -0.47 -0.01 -0.57 0.00 -0.47 0.00 0.00 61.79 60.28 1nec h SER 42 Cb 1.33 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1nec h SER 42 CO 0.53 0.54 -1.00 0.00 -0.87 0.00 0.00 176.83 176.02 1nec n GLN 43 N -3.91 -0.46 -2.01 4.77 6.02 -1.26 -4.80 117.38 115.72 1nec n GLN 43 Ca -0.01 0.15 -0.38 0.00 -0.01 0.00 0.00 57.00 56.74 1nec n GLN 43 Cb 0.54 -2.87 -0.01 0.00 1.02 0.00 0.00 30.24 28.93 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 -4.88 4.38 -3.96 -1.09 -0.04 -1.26 -4.89 135.00 123.25 1nec n PRO 44 Ca -0.11 -3.47 -0.08 0.00 -0.04 0.00 0.00 63.50 59.79 1nec n PRO 44 Cb 0.57 -2.53 -0.08 0.00 -0.04 0.00 0.00 33.50 31.41 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 -1.72 0.35 0.00 0.54 -2.14 -1.26 -1.45 118.94 113.26 1nec s TRP 45 Ca 0.53 -0.79 -0.01 0.00 2.66 0.00 0.00 56.10 58.48 1nec s TRP 45 Cb 0.22 -0.18 -0.01 0.00 -3.10 0.00 0.00 33.47 30.40 1nec s TRP 45 CO -0.12 -0.52 0.01 -1.58 -2.66 0.00 0.00 176.95 172.07 1nec s HIS 46 N -3.91 0.11 -0.08 1.66 2.46 -0.77 -4.93 115.29 109.82 1nec s HIS 46 Ca 0.09 -0.22 0.02 0.00 0.47 0.00 0.00 55.06 55.42 1nec s HIS 46 Cb 0.06 -0.09 0.01 0.00 -0.13 0.00 0.00 32.58 32.43 1nec s HIS 46 CO -0.08 -0.12 -0.14 -0.06 -2.47 0.00 0.00 174.74 171.87 1nec s PHE 47 N -0.77 1.73 -0.19 3.88 0.08 -1.26 -1.22 117.98 120.22 1nec s PHE 47 Ca -0.08 -0.70 -0.15 0.00 0.12 0.00 0.00 56.93 56.12 1nec s PHE 47 Cb -0.05 -1.24 -0.04 0.00 -0.57 0.00 0.00 43.02 41.11 1nec s PHE 47 CO -0.00 -0.35 0.34 0.42 -0.10 0.00 0.00 175.22 175.53 1nec s ILE 48 N 0.72 5.25 -0.37 0.64 1.01 -0.75 -4.93 121.20 122.78 1nec s ILE 48 Ca -0.13 0.60 -0.03 0.00 0.00 0.00 0.00 60.65 61.09 1nec s ILE 48 Cb -0.16 -3.68 0.08 0.00 0.01 0.00 0.00 42.46 38.72 1nec s ILE 48 CO 0.03 0.30 0.13 -0.69 0.00 0.00 0.00 174.94 174.71 1nec s VAL 49 N 1.02 3.30 -0.30 2.92 1.01 -1.26 -0.56 120.40 126.54 1nec s VAL 49 Ca 0.17 -1.70 -0.11 0.00 0.00 0.00 0.00 61.98 60.35 1nec s VAL 49 Cb -0.14 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1nec s VAL 49 CO 0.06 -0.43 0.19 0.00 0.00 0.00 0.00 175.10 174.92 1nec s ALA 50 N 1.22 3.46 -0.01 5.51 0.00 0.11 -4.89 121.76 127.16 1nec s ALA 50 Ca 0.02 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.79 1nec s ALA 50 Cb -0.21 -2.48 -0.01 0.00 0.00 0.00 0.00 23.12 20.42 1nec s ALA 50 CO -0.02 -0.68 0.02 -1.13 0.00 0.00 0.00 175.76 173.94 1nec n SER 51 N 5.05 2.46 -4.89 0.00 3.41 -1.26 0.03 113.62 118.42 1nec n SER 51 Ca -0.14 -0.25 -0.29 0.00 -0.26 0.00 0.00 58.87 57.93 1nec n SER 51 Cb 0.51 1.01 0.03 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 -1.55 3.79 0.16 6.66 -4.23 -1.26 -4.90 115.64 114.32 1nec s THR 52 Ca -0.00 0.39 -0.01 0.00 -1.18 0.00 0.00 61.69 60.89 1nec s THR 52 Cb 0.00 -3.55 -0.14 0.00 1.34 0.00 0.00 72.50 70.16 1nec s THR 52 CO 0.02 -0.67 1.38 -0.33 -0.54 0.00 0.00 174.62 174.48 1nec h GLU 53 N -0.42 0.34 -0.18 3.99 4.39 -1.97 -1.67 114.58 119.06 1nec h GLU 53 Ca -0.45 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 58.91 1nec h GLU 53 Cb 1.24 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.97 1nec h GLU 53 CO 0.63 1.00 0.06 1.49 -1.16 0.00 0.00 179.01 181.03 1nec h GLU 54 N 0.21 0.28 -0.76 2.33 4.81 -2.00 -2.73 114.58 116.72 1nec h GLU 54 Ca -0.05 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 1nec h GLU 54 Cb 1.43 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.74 1nec h GLU 54 CO 0.14 0.38 0.28 0.78 -0.73 0.00 0.00 179.01 179.85 1nec h GLY 55 N 0.13 1.25 1.20 1.92 0.00 -1.92 -2.63 103.07 103.02 1nec h GLY 55 Ca 0.06 -0.70 -0.11 0.00 0.00 0.00 0.00 47.33 46.57 1nec h GLY 55 CO -0.00 0.66 -0.15 0.50 0.00 0.00 0.00 176.54 177.55 1nec h LYS 56 N 1.12 0.93 -0.90 4.80 1.57 -1.24 -1.99 116.57 120.87 1nec h LYS 56 Ca 0.25 -0.35 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1nec h LYS 56 Cb 0.25 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 1nec h LYS 56 CO -0.02 1.01 0.59 0.00 -0.57 0.00 0.00 179.45 180.47 1nec h ALA 57 N 1.00 1.42 -0.52 3.86 0.00 -1.42 0.44 119.26 124.03 1nec h ALA 57 Ca 0.12 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1nec h ALA 57 Cb 0.69 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1nec h ALA 57 CO 0.05 0.51 -0.14 0.00 0.00 0.00 0.00 179.25 179.67 1nec h ARG 58 N 1.15 1.02 -0.30 0.00 3.08 -1.12 -2.13 114.38 116.08 1nec h ARG 58 Ca 0.35 -0.40 -0.07 0.00 0.07 0.00 0.00 59.98 59.93 1nec h ARG 58 Cb -0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1nec h ARG 58 CO -0.10 1.09 -0.09 0.28 -1.07 0.00 0.00 179.97 180.08 1nec h VAL 59 N 0.89 1.28 -0.18 2.04 2.07 -0.58 -3.11 116.25 118.67 1nec h VAL 59 Ca 0.13 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.57 1nec h VAL 59 Cb 0.72 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1nec h VAL 59 CO 0.06 0.36 0.24 0.00 0.02 0.00 0.00 177.57 178.25 1nec h ALA 60 N 0.78 1.73 -0.35 1.67 0.00 0.07 -1.93 119.26 121.23 1nec h ALA 60 Ca 0.07 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1nec h ALA 60 Cb 0.58 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1nec h ALA 60 CO 0.03 -0.33 0.30 0.87 0.00 0.00 0.00 179.25 180.12 1nec h LYS 61 N 0.00 0.00 0.00 0.00 1.57 -1.31 -2.03 116.57 114.80 1nec h LYS 61 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1nec h LYS 61 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1nec h LYS 61 CO -0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 1nec n SER 62 N -4.10 0.63 -3.51 0.86 3.41 -0.73 -3.82 113.62 106.37 1nec n SER 62 Ca 0.06 0.63 -0.40 0.00 -0.26 0.00 0.00 58.87 58.89 1nec n SER 62 Cb 0.47 -0.77 -0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1nec n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nec n ALA 63 N -1.75 6.70 -2.64 7.33 0.00 -0.76 -0.09 120.51 129.29 1nec n ALA 63 Ca 0.03 -4.14 -0.21 0.00 0.00 0.00 0.00 53.44 49.12 1nec n ALA 63 Cb 0.28 -2.73 -0.01 0.00 0.00 0.00 0.00 19.45 16.99 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 -1.35 3.95 0.00 0.00 0.00 -1.25 -3.06 121.76 120.04 1nec s ALA 64 Ca 0.52 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1nec s ALA 64 Cb 0.18 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.44 1nec s ALA 64 CO -0.09 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1nec n GLY 65 N -1.68 2.14 0.08 0.00 0.00 -1.26 -0.25 105.19 104.23 1nec n GLY 65 Ca -0.04 0.39 0.11 0.00 0.00 0.00 0.00 46.02 46.49 1nec n GLY 65 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nec n THR 66 N 0.00 0.80 -0.56 2.61 -2.24 -1.26 -2.95 114.28 110.69 1nec n THR 66 Ca 0.00 0.16 0.09 0.00 -2.27 0.00 0.00 64.05 62.03 1nec n THR 66 Cb 0.00 -1.01 0.31 0.00 -2.10 0.00 0.00 70.33 67.53 1nec n THR 66 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1nec n TYR 67 N -1.97 1.17 0.25 4.78 4.01 0.66 -4.58 117.16 121.47 1nec n TYR 67 Ca 0.03 -0.61 0.10 0.00 -0.16 0.00 0.00 57.90 57.26 1nec n TYR 67 Cb 0.24 -0.18 0.69 0.00 -0.31 0.00 0.00 39.34 39.78 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 3.46 0.90 0.00 -0.72 3.04 -1.45 -2.37 116.25 119.12 1nec h VAL 68 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1nec h VAL 68 Cb 1.26 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 1nec h VAL 68 CO 0.16 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.21 1nec n PHE 69 N -4.41 0.00 0.20 3.17 3.01 -1.26 -2.23 117.46 115.94 1nec n PHE 69 Ca -0.02 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.46 1nec n PHE 69 Cb 0.13 -0.08 0.01 0.00 -0.01 0.00 0.00 39.48 39.53 1nec n PHE 69 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1nec n ASN 70 N -1.08 1.25 0.02 4.37 3.02 -0.89 -4.67 115.26 117.27 1nec n ASN 70 Ca 0.08 -1.13 -0.12 0.00 -0.03 0.00 0.00 54.58 53.38 1nec n ASN 70 Cb 0.06 0.13 -0.08 0.00 -0.61 0.00 0.00 39.78 39.27 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 0.84 0.01 -0.04 3.52 4.81 -1.54 -2.99 114.58 119.18 1nec h GLU 71 Ca 0.00 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1nec h GLU 71 Cb 0.19 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1nec h GLU 71 CO 0.00 0.21 -0.18 0.00 -0.73 0.00 0.00 179.01 178.32 1nec h ARG 72 N -0.20 0.06 -0.37 1.92 2.47 -1.83 -1.45 114.38 114.98 1nec h ARG 72 Ca 0.00 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.67 1nec h ARG 72 Cb 0.21 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 1nec h ARG 72 CO -0.00 0.24 0.05 0.87 0.56 0.00 0.00 179.97 181.69 1nec h LYS 73 N 0.06 0.55 -0.03 0.04 1.57 -1.84 -1.41 116.57 115.51 1nec h LYS 73 Ca 0.01 -0.10 -0.21 0.00 -1.87 0.00 0.00 60.65 58.48 1nec h LYS 73 Cb 0.35 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1nec h LYS 73 CO 0.02 0.54 -0.85 0.52 -0.57 0.00 0.00 179.45 179.11 1nec h MET 74 N 0.54 0.38 0.02 3.15 2.86 -1.14 -3.21 114.93 117.53 1nec h MET 74 Ca 0.12 -0.37 -0.26 0.00 -2.06 0.00 0.00 59.70 57.13 1nec h MET 74 Cb 0.26 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1nec h MET 74 CO 0.00 1.03 -1.35 -0.07 1.06 0.00 0.00 176.91 177.58 1nec h LEU 75 N 0.23 0.05 0.00 1.22 3.38 -1.06 -3.32 115.31 115.82 1nec h LEU 75 Ca -0.06 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1nec h LEU 75 Cb 1.46 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1nec h LEU 75 CO 0.14 1.06 -0.75 0.44 0.09 0.00 0.00 178.44 179.43 1nec h ASP 76 N 0.01 0.00 -4.28 -0.43 3.32 -1.42 -3.47 116.42 110.15 1nec h ASP 76 Ca -0.15 -0.13 -0.50 0.00 0.02 0.00 0.00 57.03 56.26 1nec h ASP 76 Cb 1.90 0.00 0.12 0.00 0.22 0.00 0.00 39.33 41.57 1nec h ASP 76 CO 0.11 0.07 0.33 0.00 -1.72 0.00 0.00 179.24 178.03 1nec s ALA 77 N -3.24 2.30 -0.05 3.45 0.00 -1.21 -3.97 121.76 119.03 1nec s ALA 77 Ca 0.04 0.08 -0.22 0.00 0.00 0.00 0.00 51.96 51.86 1nec s ALA 77 Cb 0.12 -3.20 -0.16 0.00 0.00 0.00 0.00 23.12 19.87 1nec s ALA 77 CO 0.75 -1.66 0.90 1.03 0.00 0.00 0.00 175.76 176.78 1nec h SER 78 N -1.05 -0.18 -4.12 0.00 0.87 -1.47 -3.46 113.55 104.15 1nec h SER 78 Ca -0.45 -0.37 -0.57 0.00 -1.23 0.00 0.00 61.79 59.17 1nec h SER 78 Cb 1.24 0.05 -0.30 0.00 -0.44 0.00 0.00 62.40 62.94 1nec h SER 78 CO 0.55 0.37 -0.84 -1.00 -0.53 0.00 0.00 176.83 175.38 1nec s HIS 79 N -3.49 1.74 -0.15 2.24 3.76 -0.59 -4.41 115.29 114.39 1nec s HIS 79 Ca -0.13 -0.43 0.01 0.00 -0.15 0.00 0.00 55.06 54.37 1nec s HIS 79 Cb 0.01 -1.15 0.02 0.00 1.11 0.00 0.00 32.58 32.56 1nec s HIS 79 CO 0.49 -0.11 -0.19 0.08 -0.85 0.00 0.00 174.74 174.17 1nec s VAL 80 N -0.19 1.87 -0.16 -0.90 1.01 0.10 0.10 120.40 122.23 1nec s VAL 80 Ca 0.01 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 1nec s VAL 80 Cb -0.10 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1nec s VAL 80 CO 0.01 0.51 0.02 -0.69 0.00 0.00 0.00 175.10 174.95 1nec s VAL 81 N 1.17 4.45 -0.21 2.92 1.01 -0.47 0.08 120.40 129.35 1nec s VAL 81 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 1nec s VAL 81 Cb -0.14 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 1nec s VAL 81 CO -0.08 0.49 -0.01 -0.69 0.00 0.00 0.00 175.10 174.81 1nec s VAL 82 N 0.20 3.76 -0.25 2.92 1.01 0.28 0.50 120.40 128.82 1nec s VAL 82 Ca 0.02 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.50 1nec s VAL 82 Cb -0.13 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 1nec s VAL 82 CO 0.01 0.42 0.25 -0.36 0.00 0.00 0.00 175.10 175.43 1nec s PHE 83 N 1.20 3.29 0.03 5.22 0.40 0.10 -1.80 117.98 126.42 1nec s PHE 83 Ca 0.03 0.30 0.08 0.00 -0.60 0.00 0.00 56.93 56.74 1nec s PHE 83 Cb -0.15 -2.41 -0.02 0.00 0.51 0.00 0.00 43.02 40.95 1nec s PHE 83 CO 0.01 -0.07 -0.23 0.00 0.70 0.00 0.00 175.22 175.63 1nec s ALA 85 N -0.73 3.77 0.60 0.00 0.00 -0.63 -1.85 121.76 122.93 1nec s ALA 85 Ca 0.09 -1.05 -0.18 0.00 0.00 0.00 0.00 51.96 50.82 1nec s ALA 85 Cb -0.09 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.41 1nec s ALA 85 CO 0.01 0.62 1.20 0.15 0.00 0.00 0.00 175.76 177.74 1nec s LYS 86 N -2.90 2.91 0.15 0.00 1.02 -0.53 -1.34 119.74 119.06 1nec s LYS 86 Ca 0.32 1.79 0.23 0.00 0.02 0.00 0.00 55.97 58.33 1nec s LYS 86 Cb -0.11 -1.93 0.08 0.00 -0.52 0.00 0.00 37.83 35.35 1nec s LYS 86 CO 0.26 -1.24 1.09 0.25 -0.92 0.00 0.00 175.35 174.79 1nec n THR 87 N -1.71 0.46 -3.62 2.17 -2.24 -0.44 -4.81 114.28 104.10 1nec n THR 87 Ca 0.13 -0.43 -0.15 0.00 -2.27 0.00 0.00 64.05 61.33 1nec n THR 87 Cb 0.50 -0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.47 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 -3.29 -1.65 -0.56 6.98 0.00 -1.26 -4.54 121.76 117.44 1nec s ALA 88 Ca 0.02 1.68 -0.25 0.00 0.00 0.00 0.00 51.96 53.40 1nec s ALA 88 Cb 0.11 -0.76 0.04 0.00 0.00 0.00 0.00 23.12 22.52 1nec s ALA 88 CO 0.78 -0.33 0.99 1.41 0.00 0.00 0.00 175.76 178.61 1nec s MET 89 N -0.13 3.37 0.35 0.00 1.75 -1.26 -5.02 119.30 118.35 1nec s MET 89 Ca -0.04 -0.16 -0.02 0.00 -1.25 0.00 0.00 55.69 54.22 1nec s MET 89 Cb -0.03 -4.04 -0.04 0.00 2.84 0.00 0.00 34.83 33.55 1nec s MET 89 CO 0.04 -1.52 0.59 0.16 -0.65 0.00 0.00 175.02 173.63 1nec s ASP 90 N 2.86 6.34 0.40 1.11 -4.77 -1.26 -5.01 116.67 116.35 1nec s ASP 90 Ca 0.33 0.63 0.20 0.00 -3.30 0.00 0.00 52.55 50.40 1nec s ASP 90 Cb -0.11 -2.11 0.83 0.00 -1.09 0.00 0.00 42.92 40.44 1nec s ASP 90 CO 0.21 -0.31 1.81 0.44 0.70 0.00 0.00 175.17 178.02 1nec h ASP 91 N 1.00 0.00 -0.65 2.11 3.32 -2.01 -2.28 116.42 117.92 1nec h ASP 91 Ca -0.48 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.53 1nec h ASP 91 Cb 1.21 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 1nec h ASP 91 CO 0.63 0.32 0.29 0.00 -1.72 0.00 0.00 179.24 178.76 1nec h ALA 92 N 1.68 1.24 -0.36 3.45 0.00 -2.00 -2.58 119.26 120.70 1nec h ALA 92 Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1nec h ALA 92 Cb 0.76 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1nec h ALA 92 CO 0.04 0.57 0.14 2.35 0.00 0.00 0.00 179.25 182.35 1nec h TRP 93 N 0.96 0.54 -0.90 0.00 2.91 -1.82 -1.31 115.95 116.33 1nec h TRP 93 Ca 0.23 -0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.20 1nec h TRP 93 Cb 0.15 -0.16 -0.04 0.00 -0.51 0.00 0.00 29.16 28.60 1nec h TRP 93 CO 0.01 0.50 0.51 -0.07 -1.03 0.00 0.00 178.44 178.36 1nec h LEU 94 N 0.43 1.12 -0.65 0.65 3.38 -1.46 -1.40 115.31 117.38 1nec h LEU 94 Ca 0.12 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 1nec h LEU 94 Cb 0.18 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1nec h LEU 94 CO -0.01 0.88 -0.64 -0.33 0.09 0.00 0.00 178.44 178.44 1nec h GLU 95 N 1.26 0.16 -0.58 1.13 5.08 -1.40 -1.18 114.58 119.05 1nec h GLU 95 Ca 0.32 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1nec h GLU 95 Cb 0.00 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1nec h GLU 95 CO -0.05 0.74 0.38 -0.09 -1.00 0.00 0.00 179.01 178.99 1nec h ARG 96 N 0.12 0.75 0.14 2.33 2.43 -0.89 0.42 114.38 119.68 1nec h ARG 96 Ca -0.01 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1nec h ARG 96 Cb 1.14 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1nec h ARG 96 CO 0.09 0.50 -0.07 0.28 -1.51 0.00 0.00 179.97 179.26 1nec h VAL 97 N 0.78 0.98 -0.26 0.20 2.07 -0.88 -1.94 116.25 117.19 1nec h VAL 97 Ca 0.21 -0.53 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1nec h VAL 97 Cb -0.08 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1nec h VAL 97 CO -0.05 0.12 -0.19 1.62 0.02 0.00 0.00 177.57 179.09 1nec h VAL 98 N -0.44 1.25 0.00 2.57 3.04 -1.08 -2.02 116.25 119.56 1nec h VAL 98 Ca -0.02 -1.13 -0.06 0.00 -1.01 0.00 0.00 66.70 64.47 1nec h VAL 98 Cb 0.35 1.25 -0.01 0.00 -2.01 0.00 0.00 31.29 30.88 1nec h VAL 98 CO 0.03 0.36 -0.29 0.44 -1.01 0.00 0.00 177.57 177.11 1nec h ASP 99 N 0.43 0.00 -0.18 3.17 3.32 -0.87 -1.91 116.42 120.38 1nec h ASP 99 Ca 0.07 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.91 1nec h ASP 99 Cb 0.58 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.13 1nec h ASP 99 CO 0.04 0.29 -0.73 -0.61 -1.72 0.00 0.00 179.24 176.51 1nec h GLN 100 N 0.00 0.81 -0.47 3.56 5.75 -1.01 -2.23 115.11 121.53 1nec h GLN 100 Ca -0.00 -0.63 -0.05 0.00 -0.15 0.00 0.00 58.65 57.81 1nec h GLN 100 Cb 0.53 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 1nec h GLN 100 CO 0.04 1.24 0.07 0.93 -2.65 0.00 0.00 178.83 178.46 1nec h GLU 101 N 0.56 0.73 -0.41 1.69 5.08 -1.06 -0.47 114.58 120.71 1nec h GLU 101 Ca -0.04 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.08 1nec h GLU 101 Cb 1.36 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1nec h GLU 101 CO 0.15 0.70 -0.04 1.49 -1.00 0.00 0.00 179.01 180.31 1nec h GLU 102 N 0.70 0.75 0.00 2.33 4.81 -1.38 -2.31 114.58 119.48 1nec h GLU 102 Ca 0.15 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1nec h GLU 102 Cb 0.33 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1nec h GLU 102 CO 0.01 0.85 -0.21 0.00 -0.73 0.00 0.00 179.01 178.94 1nec h ALA 103 N 0.87 1.42 -0.01 2.92 0.00 -0.99 -0.62 119.26 122.85 1nec h ALA 103 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1nec h ALA 103 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1nec h ALA 103 CO 0.03 0.26 -0.00 -0.25 0.00 0.00 0.00 179.25 179.29 1nec n ASP 104 N -3.94 0.79 0.00 0.00 8.00 -0.22 -4.93 116.55 116.25 1nec n ASP 104 Ca -0.02 -1.26 0.00 0.00 0.71 0.00 0.00 54.79 54.22 1nec n ASP 104 Cb 0.29 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 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 1.09 0.72 0.17 0.44 0.00 -0.24 -4.98 105.19 102.39 1nec n GLY 105 Ca 0.21 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 1.19 0.00 -6.48 1.61 3.08 -1.61 -3.45 114.38 108.72 1nec h ARG 106 Ca 0.00 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.36 1nec h ARG 106 Cb 0.00 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 29.81 1nec h ARG 106 CO 0.00 0.00 -0.81 -0.06 -1.07 0.00 0.00 179.97 178.03 1nec s PHE 107 N -3.20 2.56 -0.05 3.04 0.08 -1.26 -5.01 117.98 114.14 1nec s PHE 107 Ca 0.08 -0.26 0.17 0.00 0.12 0.00 0.00 56.93 57.05 1nec s PHE 107 Cb 0.09 -1.54 -0.26 0.00 -0.57 0.00 0.00 43.02 40.73 1nec s PHE 107 CO 0.61 0.15 0.33 0.09 -0.10 0.00 0.00 175.22 176.31 1nec n ASN 108 N 2.09 0.89 -4.08 1.36 4.13 -1.26 -5.01 115.26 113.38 1nec n ASN 108 Ca -0.17 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.01 1nec n ASN 108 Cb 0.52 1.64 -0.09 0.00 -1.54 0.00 0.00 39.78 40.31 1nec n ASN 108 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1nec s THR 109 N -3.08 0.13 0.38 3.41 -4.23 -1.26 -5.02 115.64 105.96 1nec s THR 109 Ca -0.07 -1.75 0.10 0.00 -1.18 0.00 0.00 61.69 58.80 1nec s THR 109 Cb 0.10 -1.82 0.13 0.00 1.34 0.00 0.00 72.50 72.26 1nec s THR 109 CO 0.73 -0.60 1.88 -0.65 -0.54 0.00 0.00 174.62 175.45 1nec h PRO 110 N 2.88 0.16 -0.45 3.99 0.11 -2.00 -0.67 132.00 136.03 1nec h PRO 110 Ca -0.34 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.65 1nec h PRO 110 Cb 1.19 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1nec h PRO 110 CO 0.59 0.38 -0.03 0.93 -0.21 0.00 0.00 178.00 179.66 1nec h GLU 111 N 0.15 0.75 -0.35 1.05 3.07 -1.98 -0.63 114.58 116.64 1nec h GLU 111 Ca 0.03 -0.21 -0.14 0.00 -0.50 0.00 0.00 59.36 58.54 1nec h GLU 111 Cb 0.48 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1nec h GLU 111 CO 0.03 0.78 -0.34 0.00 -1.40 0.00 0.00 179.01 178.08 1nec h ALA 112 N 1.27 0.74 -0.29 3.43 0.00 -1.53 -0.33 119.26 122.55 1nec h ALA 112 Ca 0.13 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1nec h ALA 112 Cb 0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1nec h ALA 112 CO 0.02 0.66 -0.09 -0.22 0.00 0.00 0.00 179.25 179.63 1nec h LYS 113 N 0.66 0.57 -0.93 0.00 3.64 -0.96 -2.07 116.57 117.48 1nec h LYS 113 Ca 0.07 -0.23 0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1nec h LYS 113 Cb 0.88 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.63 1nec h LYS 113 CO 0.08 0.78 0.62 0.00 -2.27 0.00 0.00 179.45 178.65 1nec h ALA 114 N 0.78 1.35 -0.49 5.00 0.00 -1.04 0.66 119.26 125.52 1nec h ALA 114 Ca 0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1nec h ALA 114 Cb 0.58 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1nec h ALA 114 CO 0.03 0.60 0.21 0.00 0.00 0.00 0.00 179.25 180.09 1nec h ALA 115 N 1.43 0.63 -0.18 0.00 0.00 -0.98 -0.85 119.26 119.31 1nec h ALA 115 Ca 0.35 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1nec h ALA 115 Cb -0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1nec h ALA 115 CO -0.08 0.22 -0.07 -0.97 0.00 0.00 0.00 179.25 178.34 1nec h ASN 116 N 0.64 0.38 -0.39 0.00 -0.73 -0.60 -2.41 115.58 112.48 1nec h ASN 116 Ca 0.16 -0.40 0.06 0.00 1.87 0.00 0.00 56.30 58.00 1nec h ASN 116 Cb 0.16 -0.10 -0.05 0.00 0.27 0.00 0.00 38.32 38.59 1nec h ASN 116 CO -0.02 0.69 0.08 -0.74 -0.37 0.00 0.00 177.43 177.07 1nec h HIS 117 N 0.07 0.12 -0.44 0.67 2.76 -0.78 -2.06 115.15 115.49 1nec h HIS 117 Ca 0.04 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.28 1nec h HIS 117 Cb 0.54 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.46 1nec h HIS 117 CO 0.06 0.01 0.18 -0.22 -1.30 0.00 0.00 177.93 176.66 1nec h LYS 118 N 0.20 0.36 -0.50 5.26 3.64 -1.14 -1.00 116.57 123.39 1nec h LYS 118 Ca 0.19 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1nec h LYS 118 Cb 0.23 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1nec h LYS 118 CO -0.25 0.24 0.23 0.78 -2.27 0.00 0.00 179.45 178.17 1nec h GLY 119 N 0.37 0.79 0.83 5.01 0.00 -1.16 -1.39 103.07 107.52 1nec h GLY 119 Ca 0.20 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 1nec h GLY 119 CO -0.17 0.39 -0.07 -0.09 0.00 0.00 0.00 176.54 176.59 1nec h ARG 120 N 0.67 0.45 -0.55 4.80 2.43 -1.15 -3.04 114.38 117.99 1nec h ARG 120 Ca 0.17 -0.18 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1nec h ARG 120 Cb 0.15 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.63 1nec h ARG 120 CO -0.02 0.70 0.25 1.15 -1.51 0.00 0.00 179.97 180.53 1nec h THR 121 N 0.17 0.88 -0.30 0.20 2.02 -1.07 0.99 112.91 115.81 1nec h THR 121 Ca 0.05 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 67.12 1nec h THR 121 Cb 0.54 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 1nec h THR 121 CO 0.03 0.09 0.04 0.22 0.37 0.00 0.00 175.52 176.27 1nec h TYR 122 N 0.47 0.07 -0.20 3.16 5.03 -1.26 0.63 116.97 124.86 1nec h TYR 122 Ca 0.26 0.02 -0.19 0.00 2.58 0.00 0.00 58.73 61.40 1nec h TYR 122 Cb 0.23 0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.52 1nec h TYR 122 CO -0.13 0.00 -0.63 0.74 -1.32 0.00 0.00 178.16 176.82 1nec h PHE 123 N 0.15 0.91 -0.67 -3.82 0.04 -1.38 -1.18 116.94 110.99 1nec h PHE 123 Ca 0.14 -0.35 0.01 0.00 2.80 0.00 0.00 57.97 60.57 1nec h PHE 123 Cb 0.16 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 1nec h PHE 123 CO -0.18 1.15 0.44 0.00 -0.60 0.00 0.00 178.31 179.12 1nec h ALA 124 N 0.77 0.86 0.00 2.45 0.00 -0.32 -2.09 119.26 120.92 1nec h ALA 124 Ca -0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1nec h ALA 124 Cb 1.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1nec h ALA 124 CO 0.13 0.26 -0.17 -0.44 0.00 0.00 0.00 179.25 179.02 1nec h ASP 125 N 0.89 0.00 -0.84 0.00 3.32 0.30 0.68 116.42 120.77 1nec h ASP 125 Ca 0.25 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 1nec h ASP 125 Cb -0.08 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 1nec h ASP 125 CO -0.07 0.17 0.50 -0.03 -1.72 0.00 0.00 179.24 178.10 1nec h MET 126 N 0.00 1.14 0.16 3.56 4.05 -0.49 0.51 114.93 123.86 1nec h MET 126 Ca -0.00 -0.10 -0.25 0.00 -0.28 0.00 0.00 59.70 59.07 1nec h MET 126 Cb 0.32 -0.24 0.02 0.00 -0.80 0.00 0.00 31.60 30.90 1nec h MET 126 CO 0.02 0.80 -1.15 0.45 0.23 0.00 0.00 176.91 177.26 1nec h HIS 127 N 1.16 0.60 -0.10 1.39 3.86 -1.38 0.23 115.15 120.91 1nec h HIS 127 Ca 0.30 -0.44 -0.08 0.00 -1.16 0.00 0.00 60.37 58.99 1nec h HIS 127 Cb -0.05 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.40 1nec h HIS 127 CO 0.00 1.45 -0.27 0.00 0.86 0.00 0.00 177.93 179.97 1nec h ARG 128 N -0.24 0.36 0.00 2.45 3.08 -0.68 0.21 114.38 119.56 1nec h ARG 128 Ca -0.22 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1nec h ARG 128 Cb 1.79 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.88 1nec h ARG 128 CO 0.15 0.86 -0.71 0.28 -1.07 0.00 0.00 179.97 179.48 1nec n VAL 129 N -4.46 1.36 0.11 2.04 0.31 0.18 -4.16 118.33 113.71 1nec n VAL 129 Ca -0.07 0.20 -0.12 0.00 -0.01 0.00 0.00 64.34 64.34 1nec n VAL 129 Cb 0.46 -2.31 -0.07 0.00 -0.91 0.00 0.00 33.84 31.01 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 -0.93 -0.29 0.92 4.52 5.19 -1.32 -3.36 116.42 121.15 1nec h ASP 130 Ca 0.00 -0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 1nec h ASP 130 Cb 0.71 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.30 1nec h ASP 130 CO 0.00 0.17 -0.93 0.18 -3.12 0.00 0.00 179.24 175.54 1nec n LEU 131 N -5.04 0.80 -3.68 1.55 4.77 0.78 -4.98 117.00 111.19 1nec n LEU 131 Ca -0.08 0.28 -0.23 0.00 -0.03 0.00 0.00 56.01 55.94 1nec n LEU 131 Cb 0.26 -0.09 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1nec n LEU 131 CO 0.26 -0.14 0.05 0.29 -1.33 0.00 0.00 177.39 176.53 1nec n LYS 132 N -2.50 -5.85 -0.72 3.23 5.02 -0.44 -4.93 118.16 111.97 1nec n LYS 132 Ca 0.01 0.69 0.05 0.00 -2.02 0.00 0.00 58.31 57.03 1nec n LYS 132 Cb 0.52 -5.49 0.08 0.00 -0.02 0.00 0.00 35.03 30.12 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 -3.01 1.18 -0.04 4.39 5.75 0.62 -4.86 116.55 120.58 1nec n ASP 133 Ca -0.17 -2.67 0.05 0.00 -0.01 0.00 0.00 54.79 51.99 1nec n ASP 133 Cb 0.62 -0.35 0.42 0.00 -1.03 0.00 0.00 41.12 40.78 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 0.52 0.49 -0.42 -1.12 2.03 -1.88 0.25 116.42 116.29 1nec h ASP 134 Ca -0.07 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 1nec h ASP 134 Cb 1.37 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 39.73 1nec h ASP 134 CO 0.03 0.34 0.27 -2.24 -1.03 0.00 0.00 179.24 176.61 1nec h ASP 135 N 0.57 0.49 0.02 4.15 2.03 -1.89 0.98 116.42 122.77 1nec h ASP 135 Ca 0.19 -0.03 -0.17 0.00 -0.73 0.00 0.00 57.03 56.30 1nec h ASP 135 Cb 0.07 -0.12 -0.00 0.00 -0.83 0.00 0.00 39.33 38.44 1nec h ASP 135 CO -0.05 0.37 -0.59 1.56 -1.03 0.00 0.00 179.24 179.51 1nec h GLN 136 N 0.57 0.58 -0.34 4.15 1.08 -1.49 -2.52 115.11 117.14 1nec h GLN 136 Ca 0.15 -0.38 -0.03 0.00 -1.45 0.00 0.00 58.65 56.94 1nec h GLN 136 Cb -0.04 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1nec h GLN 136 CO -0.03 1.00 0.11 2.35 -0.95 0.00 0.00 178.83 181.30 1nec h TRP 137 N 0.43 0.54 -0.22 2.96 7.01 -0.84 -2.15 115.95 123.68 1nec h TRP 137 Ca -0.00 -0.05 -0.11 0.00 2.11 0.00 0.00 58.89 60.83 1nec h TRP 137 Cb 1.15 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 28.04 1nec h TRP 137 CO 0.05 0.54 -0.34 0.52 -2.79 0.00 0.00 178.44 176.42 1nec h MET 138 N 0.39 0.48 -0.46 2.65 2.86 -0.76 -2.93 114.93 117.16 1nec h MET 138 Ca 0.11 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 1nec h MET 138 Cb 0.25 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1nec h MET 138 CO -0.00 0.76 0.09 0.00 1.06 0.00 0.00 176.91 178.81 1nec h ALA 139 N 1.23 1.30 -0.70 6.32 0.00 -1.30 -2.57 119.26 123.54 1nec h ALA 139 Ca 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1nec h ALA 139 Cb 0.79 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1nec h ALA 139 CO 0.06 0.49 0.37 0.87 0.00 0.00 0.00 179.25 181.04 1nec h LYS 140 N 0.68 0.97 -0.16 0.00 1.57 -1.26 -1.64 116.57 116.72 1nec h LYS 140 Ca 0.15 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 1nec h LYS 140 Cb 0.29 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1nec h LYS 140 CO 0.00 0.72 -0.36 1.96 -0.57 0.00 0.00 179.45 181.20 1nec h GLN 141 N 0.97 0.34 -0.32 3.15 1.08 -1.28 -1.91 115.11 117.14 1nec h GLN 141 Ca 0.25 -0.15 -0.11 0.00 -1.45 0.00 0.00 58.65 57.19 1nec h GLN 141 Cb 0.04 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1nec h GLN 141 CO -0.04 0.65 -0.23 0.28 -0.95 0.00 0.00 178.83 178.54 1nec h VAL 142 N 0.29 1.29 -0.45 -0.54 2.07 -1.27 -2.14 116.25 115.50 1nec h VAL 142 Ca 0.03 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 1nec h VAL 142 Cb 0.77 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1nec h VAL 142 CO 0.06 0.45 0.17 1.88 0.02 0.00 0.00 177.57 180.15 1nec h TYR 143 N 0.48 0.63 -0.66 1.57 -1.99 -1.03 -0.88 116.97 115.10 1nec h TYR 143 Ca 0.06 -0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.70 1nec h TYR 143 Cb 0.79 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 39.29 1nec h TYR 143 CO 0.07 0.50 0.17 1.25 -0.00 0.00 0.00 178.16 180.15 1nec h LEU 144 N 0.63 1.00 -0.70 3.88 6.46 -1.17 -1.58 115.31 123.83 1nec h LEU 144 Ca 0.15 -0.23 0.06 0.00 -0.12 0.00 0.00 57.88 57.74 1nec h LEU 144 Cb 0.14 -0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 39.75 1nec h LEU 144 CO -0.01 0.97 0.40 -1.13 -0.62 0.00 0.00 178.44 178.05 1nec h ASN 145 N 0.98 0.61 -0.65 1.25 -0.73 -1.12 -1.59 115.58 114.34 1nec h ASN 145 Ca 0.21 0.02 0.04 0.00 1.87 0.00 0.00 56.30 58.44 1nec h ASN 145 Cb 0.35 -0.10 -0.05 0.00 0.27 0.00 0.00 38.32 38.80 1nec h ASN 145 CO 0.00 0.40 0.38 0.58 -0.37 0.00 0.00 177.43 178.42 1nec h VAL 146 N 0.75 1.04 0.19 2.57 2.07 -0.42 -0.71 116.25 121.74 1nec h VAL 146 Ca 0.31 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.58 1nec h VAL 146 Cb 0.17 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1nec h VAL 146 CO -0.17 0.14 -0.22 1.23 0.02 0.00 0.00 177.57 178.56 1nec h GLY 147 N 0.74 -0.47 0.18 2.17 0.00 -0.78 -0.30 103.07 104.62 1nec h GLY 147 Ca 0.27 0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.92 1nec h GLY 147 CO -0.13 -0.21 -0.22 -0.57 0.00 0.00 0.00 176.54 175.41 1nec h ASN 148 N -0.46 -0.72 -0.22 0.19 -1.24 -1.06 -2.85 115.58 109.23 1nec h ASN 148 Ca 0.01 0.13 0.02 0.00 0.71 0.00 0.00 56.30 57.17 1nec h ASN 148 Cb 0.45 0.34 -0.02 0.00 0.73 0.00 0.00 38.32 39.82 1nec h ASN 148 CO -0.08 -0.26 0.07 0.15 -1.29 0.00 0.00 177.43 176.02 1nec h PHE 149 N -0.23 0.12 -0.98 0.67 3.57 -0.65 -1.65 116.94 117.79 1nec h PHE 149 Ca 0.14 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1nec h PHE 149 Cb 0.44 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 1nec h PHE 149 CO -0.38 0.06 0.65 -0.07 -2.23 0.00 0.00 178.31 176.34 1nec h LEU 150 N 0.17 1.12 -0.25 0.59 3.38 -0.95 -0.50 115.31 118.87 1nec h LEU 150 Ca 0.10 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1nec h LEU 150 Cb 0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1nec h LEU 150 CO -0.10 0.81 -0.18 0.25 0.09 0.00 0.00 178.44 179.30 1nec h LEU 151 N 1.32 0.59 -0.64 1.67 5.85 -1.38 -2.28 115.31 120.45 1nec h LEU 151 Ca 0.36 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1nec h LEU 151 Cb -0.14 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 1nec h LEU 151 CO -0.08 0.91 0.37 1.23 -0.34 0.00 0.00 178.44 180.53 1nec h GLY 152 N 0.28 0.94 1.25 3.75 0.00 -0.89 -0.01 103.07 108.40 1nec h GLY 152 Ca 0.05 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 1nec h GLY 152 CO 0.05 0.39 -0.29 -0.39 0.00 0.00 0.00 176.54 176.30 1nec h VAL 153 N 0.87 1.28 -0.61 4.60 -1.51 -1.13 -1.47 116.25 118.28 1nec h VAL 153 Ca 0.23 -1.45 0.05 0.00 -1.23 0.00 0.00 66.70 64.30 1nec h VAL 153 Cb 0.01 1.29 -0.05 0.00 -2.13 0.00 0.00 31.29 30.40 1nec h VAL 153 CO -0.04 0.48 0.33 1.23 -1.23 0.00 0.00 177.57 178.34 1nec h GLY 154 N 0.91 0.87 2.00 5.19 0.00 -1.08 -0.38 103.07 110.59 1nec h GLY 154 Ca 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1nec h GLY 154 CO 0.07 0.14 -0.04 0.00 0.00 0.00 0.00 176.54 176.72 1nec h ALA 155 N 1.32 1.01 -0.00 3.60 0.00 -0.60 -1.92 119.26 122.67 1nec h ALA 155 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1nec h ALA 155 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1nec h ALA 155 CO -0.17 0.05 -0.00 -1.33 0.00 0.00 0.00 179.25 177.79 1nec n MET 156 N -3.15 0.03 -0.57 0.00 2.81 -0.59 -4.91 117.12 110.75 1nec n MET 156 Ca 0.00 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1nec n MET 156 Cb 0.32 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 1.48 0.68 3.99 3.03 0.00 -0.72 -5.07 105.19 108.58 1nec n GLY 157 Ca 0.08 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 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 3.91 0.11 0.99 1.43 -0.21 -5.01 118.68 119.90 1nec s LEU 158 Ca 0.00 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1nec s LEU 158 Cb 0.00 -2.77 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 1nec s LEU 158 CO 0.00 -0.50 0.24 -1.81 0.23 0.00 0.00 176.35 174.51 1nec s ASP 159 N -4.20 6.25 0.24 2.29 1.01 0.90 -4.15 116.67 119.01 1nec s ASP 159 Ca 0.47 0.18 -0.21 0.00 0.71 0.00 0.00 52.55 53.69 1nec s ASP 159 Cb -0.10 -1.87 0.04 0.00 1.01 0.00 0.00 42.92 41.99 1nec s ASP 159 CO 0.32 0.10 0.66 0.00 0.21 0.00 0.00 175.17 176.46 1nec s ALA 160 N -1.64 -1.29 -0.12 5.23 0.00 -1.26 -0.86 121.76 121.81 1nec s ALA 160 Ca 0.34 -0.08 -0.06 0.00 0.00 0.00 0.00 51.96 52.17 1nec s ALA 160 Cb -0.12 0.87 0.05 0.00 0.00 0.00 0.00 23.12 23.92 1nec s ALA 160 CO 0.28 -0.94 0.27 0.54 0.00 0.00 0.00 175.76 175.91 1nec s VAL 161 N -3.87 -0.18 -0.05 0.00 0.11 -1.15 -1.65 120.40 113.61 1nec s VAL 161 Ca 0.08 0.19 -0.30 0.00 -2.93 0.00 0.00 61.98 59.02 1nec s VAL 161 Cb -0.04 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 1nec s VAL 161 CO 0.00 0.08 1.10 -2.16 -3.33 0.00 0.00 175.10 170.79 1nec s PRO 162 N 1.68 4.42 -0.16 1.54 0.04 -1.26 -3.67 135.00 137.60 1nec s PRO 162 Ca -0.06 1.55 -0.01 0.00 0.04 0.00 0.00 61.00 62.52 1nec s PRO 162 Cb -0.11 -3.51 -0.01 0.00 0.04 0.00 0.00 34.50 30.92 1nec s PRO 162 CO -0.09 -0.31 -0.13 0.42 0.04 0.00 0.00 177.00 176.93 1nec s ILE 163 N 1.80 2.86 -0.06 0.56 1.01 0.20 -4.93 121.20 122.64 1nec s ILE 163 Ca 0.53 -0.70 0.19 0.00 0.00 0.00 0.00 60.65 60.66 1nec s ILE 163 Cb -0.22 -2.22 -0.28 0.00 0.01 0.00 0.00 42.46 39.74 1nec s ILE 163 CO 0.22 0.50 0.35 -0.62 0.00 0.00 0.00 174.94 175.40 1nec n GLU 164 N 4.08 0.68 -2.64 2.79 1.02 -1.26 -1.84 120.64 123.46 1nec n GLU 164 Ca -0.19 -0.14 -0.42 0.00 -0.02 0.00 0.00 57.16 56.39 1nec n GLU 164 Cb 0.52 -1.46 -0.02 0.00 -0.02 0.00 0.00 31.44 30.46 1nec n GLU 164 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1nec s GLY 165 N -4.41 1.56 0.20 0.62 0.00 -1.26 -4.85 107.32 99.18 1nec s GLY 165 Ca -0.07 -2.62 -0.21 0.00 0.00 0.00 0.00 44.72 41.81 1nec s GLY 165 CO 0.79 2.57 0.61 -0.11 0.00 0.00 0.00 173.10 176.96 1nec s PHE 166 N 4.19 -0.35 -0.40 1.90 -0.71 -1.26 -4.79 117.98 116.55 1nec s PHE 166 Ca 0.47 0.04 -0.17 0.00 -1.04 0.00 0.00 56.93 56.23 1nec s PHE 166 Cb 0.01 0.56 0.01 0.00 -1.21 0.00 0.00 43.02 42.39 1nec s PHE 166 CO -0.03 -0.97 0.42 0.34 -1.34 0.00 0.00 175.22 173.64 1nec s ASP 167 N -2.82 6.20 0.29 1.98 -1.08 0.87 -4.94 116.67 117.16 1nec s ASP 167 Ca 0.06 -0.55 0.02 0.00 -0.52 0.00 0.00 52.55 51.56 1nec s ASP 167 Cb -0.02 -2.22 0.43 0.00 -1.46 0.00 0.00 42.92 39.65 1nec s ASP 167 CO -0.05 -0.52 1.75 0.00 0.52 0.00 0.00 175.17 176.86 1nec h ALA 168 N 8.66 1.14 -0.79 3.66 0.00 -1.89 -1.74 119.26 128.30 1nec h ALA 168 Ca -0.27 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 1nec h ALA 168 Cb 1.12 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1nec h ALA 168 CO 0.77 0.54 0.34 0.00 0.00 0.00 0.00 179.25 180.90 1nec h ALA 169 N 1.33 1.12 0.52 0.00 0.00 -1.94 0.31 119.26 120.60 1nec h ALA 169 Ca 0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1nec h ALA 169 Cb 0.59 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1nec h ALA 169 CO 0.04 0.65 -0.25 0.82 0.00 0.00 0.00 179.25 180.51 1nec h ILE 170 N 1.13 0.43 -0.63 0.00 2.04 -1.85 -1.95 117.51 116.68 1nec h ILE 170 Ca 0.27 -0.29 0.07 0.00 1.00 0.00 0.00 64.86 65.90 1nec h ILE 170 Cb 0.17 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 1nec h ILE 170 CO -0.03 0.04 0.31 0.25 0.00 0.00 0.00 178.15 178.73 1nec h LEU 171 N -0.89 0.43 -0.93 1.44 5.85 -1.09 -2.13 115.31 117.99 1nec h LEU 171 Ca -0.07 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1nec h LEU 171 Cb 0.60 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1nec h LEU 171 CO 0.12 0.27 0.02 0.44 -0.34 0.00 0.00 178.44 178.94 1nec h ASP 172 N 0.57 0.76 -0.22 1.25 5.19 -0.27 -2.61 116.42 121.09 1nec h ASP 172 Ca 0.29 -0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1nec h ASP 172 Cb 0.25 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 1nec h ASP 172 CO -0.22 0.82 0.11 -0.33 -3.12 0.00 0.00 179.24 176.50 1nec h GLU 173 N 0.75 0.32 -0.62 3.56 5.08 -1.00 -0.60 114.58 122.06 1nec h GLU 173 Ca 0.15 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1nec h GLU 173 Cb 0.43 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1nec h GLU 173 CO 0.02 0.34 0.37 1.49 -1.00 0.00 0.00 179.01 180.23 1nec h GLU 174 N 0.23 0.71 -0.02 2.33 4.57 -1.04 -2.42 114.58 118.94 1nec h GLU 174 Ca 0.08 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1nec h GLU 174 Cb 0.12 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1nec h GLU 174 CO -0.01 0.47 -0.11 1.19 -1.18 0.00 0.00 179.01 179.37 1nec n PHE 175 N -4.74 0.00 -3.39 0.92 3.72 -1.04 -4.98 117.46 107.96 1nec n PHE 175 Ca 0.06 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.28 1nec n PHE 175 Cb 0.09 -0.02 0.08 0.00 -0.94 0.00 0.00 39.48 38.69 1nec n PHE 175 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nec n GLY 176 N 1.30 -0.34 0.10 1.37 0.00 -0.36 -4.95 105.19 102.30 1nec n GLY 176 Ca 0.15 0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.06 0.00 -0.98 0.99 3.38 -1.48 -3.10 115.31 112.06 1nec h LEU 177 Ca -0.53 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.34 1nec h LEU 177 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1nec h LEU 177 CO 0.48 0.77 -0.38 0.11 0.09 0.00 0.00 178.44 179.51 1nec h LYS 178 N 0.00 0.26 -0.61 1.13 1.79 -1.75 -0.99 116.57 116.40 1nec h LYS 178 Ca -0.02 -0.11 -0.04 0.00 -2.18 0.00 0.00 60.65 58.30 1nec h LYS 178 Cb 1.60 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 32.22 1nec h LYS 178 CO 0.10 0.60 0.24 0.93 -1.08 0.00 0.00 179.45 180.25 1nec h GLU 179 N 0.22 0.91 0.00 3.15 3.07 -1.89 -1.59 114.58 118.45 1nec h GLU 179 Ca 0.02 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 1nec h GLU 179 Cb 0.77 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1nec h GLU 179 CO 0.06 0.77 0.00 1.63 -1.40 0.00 0.00 179.01 180.07 1nec n LYS 180 N -4.45 0.46 -0.27 2.33 5.02 -0.81 -4.90 118.16 115.53 1nec n LYS 180 Ca 0.04 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1nec n LYS 180 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 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 0.70 0.86 3.28 0.72 0.00 -0.53 -5.06 105.19 105.17 1nec n GLY 181 Ca 0.13 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 1.39 -0.05 1.61 0.08 -0.49 -1.33 117.98 117.18 1nec s PHE 182 Ca 0.00 -1.01 -0.04 0.00 0.12 0.00 0.00 56.93 56.00 1nec s PHE 182 Cb 0.00 -0.80 0.02 0.00 -0.57 0.00 0.00 43.02 41.67 1nec s PHE 182 CO 0.00 -0.17 0.12 -0.08 -0.10 0.00 0.00 175.22 175.00 1nec s THR 183 N -3.59 -0.01 0.19 0.64 -1.32 -0.45 -3.34 115.64 107.77 1nec s THR 183 Ca 0.28 0.03 -0.30 0.00 -1.21 0.00 0.00 61.69 60.49 1nec s THR 183 Cb 0.06 -0.19 -0.08 0.00 -1.51 0.00 0.00 72.50 70.78 1nec s THR 183 CO 0.07 0.01 1.14 -0.94 -2.21 0.00 0.00 174.62 172.70 1nec s SER 184 N 0.25 7.18 -0.01 8.08 1.04 -1.26 -1.60 113.70 127.39 1nec s SER 184 Ca -0.02 2.18 0.00 0.00 0.48 0.00 0.00 55.95 58.59 1nec s SER 184 Cb -0.03 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.48 1nec s SER 184 CO -0.01 -0.28 -0.01 0.18 0.98 0.00 0.00 173.24 174.10 1nec n LEU 185 N 2.28 2.66 -3.81 2.42 4.77 0.66 -4.87 117.00 121.10 1nec n LEU 185 Ca 0.03 -0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 1nec n LEU 185 Cb 0.45 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.39 1nec n LEU 185 CO 0.55 0.46 -0.12 -0.69 -1.33 0.00 0.00 177.39 176.25 1nec s VAL 186 N -2.02 0.02 -0.09 4.08 1.01 -1.20 -4.82 120.40 117.38 1nec s VAL 186 Ca -0.01 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.80 1nec s VAL 186 Cb 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 1nec s VAL 186 CO 0.02 -0.11 -0.21 -0.69 0.00 0.00 0.00 175.10 174.11 1nec s VAL 187 N -0.36 2.32 -0.31 2.92 1.01 -0.77 0.01 120.40 125.22 1nec s VAL 187 Ca -0.05 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 1nec s VAL 187 Cb -0.03 -1.90 0.10 0.00 0.00 0.00 0.00 36.38 34.55 1nec s VAL 187 CO 0.01 0.56 0.09 -0.69 0.00 0.00 0.00 175.10 175.07 1nec s VAL 188 N 0.17 1.07 0.20 2.92 1.01 0.18 0.59 120.40 126.53 1nec s VAL 188 Ca -0.12 -1.52 -0.30 0.00 0.00 0.00 0.00 61.98 60.04 1nec s VAL 188 Cb -0.16 -1.80 -0.08 0.00 0.00 0.00 0.00 36.38 34.33 1nec s VAL 188 CO 0.07 -0.66 1.25 -2.84 0.00 0.00 0.00 175.10 172.92 1nec s PRO 189 N 1.52 4.44 -0.02 2.72 0.02 -1.24 -1.36 135.00 141.08 1nec s PRO 189 Ca 0.10 1.97 0.04 0.00 0.02 0.00 0.00 61.00 63.13 1nec s PRO 189 Cb -0.17 -3.21 -0.01 0.00 0.02 0.00 0.00 34.50 31.13 1nec s PRO 189 CO -0.23 -0.16 -0.15 0.08 -0.33 0.00 0.00 177.00 176.21 1nec s VAL 190 N -0.04 1.25 -0.13 3.83 1.01 0.11 -2.93 120.40 123.50 1nec s VAL 190 Ca 0.54 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1nec s VAL 190 Cb -0.35 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1nec s VAL 190 CO 0.38 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.45 1nec n GLY 191 N 2.88 -0.84 3.12 4.51 0.00 -0.04 -1.46 105.19 113.35 1nec n GLY 191 Ca -0.16 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 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 1.95 0.87 1.61 3.76 -1.26 -0.07 115.29 118.15 1nec s HIS 192 Ca 0.00 -0.75 -0.11 0.00 -0.15 0.00 0.00 55.06 54.05 1nec s HIS 192 Cb 0.00 -1.35 0.12 0.00 1.11 0.00 0.00 32.58 32.45 1nec s HIS 192 CO 0.00 -0.33 1.11 -3.38 -0.85 0.00 0.00 174.74 171.29 1nec s HIS 193 N 0.48 2.09 0.52 1.40 -0.00 -1.26 -0.35 115.29 118.17 1nec s HIS 193 Ca -0.16 1.58 0.04 0.00 -0.00 0.00 0.00 55.06 56.52 1nec s HIS 193 Cb -0.17 -3.18 0.01 0.00 -0.00 0.00 0.00 32.58 29.25 1nec s HIS 193 CO 0.06 -2.41 0.22 -1.54 -0.00 0.00 0.00 174.74 171.06 1nec s SER 194 N -3.06 4.40 0.63 7.38 1.04 -0.58 -4.30 113.70 119.21 1nec s SER 194 Ca 0.64 -1.42 0.40 0.00 0.48 0.00 0.00 55.95 56.05 1nec s SER 194 Cb -0.20 0.42 2.10 0.00 0.10 0.00 0.00 66.02 68.44 1nec s SER 194 CO 0.57 -0.97 2.26 -0.37 0.98 0.00 0.00 173.24 175.72 1nec h VAL 195 N 1.05 0.08 0.00 5.02 -1.51 -1.96 -1.99 116.25 116.93 1nec h VAL 195 Ca -0.40 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 1nec h VAL 195 Cb 1.31 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 1nec h VAL 195 CO 0.65 0.01 0.00 -0.62 -1.23 0.00 0.00 177.57 176.38 1nec n GLU 196 N -3.18 0.08 -2.47 5.19 1.02 -1.26 -4.67 120.64 115.35 1nec n GLU 196 Ca -0.02 0.11 -0.40 0.00 -0.02 0.00 0.00 57.16 56.82 1nec n GLU 196 Cb 0.13 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 29.92 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 -3.49 6.10 0.37 1.62 2.15 -0.75 -4.70 116.67 117.97 1nec s ASP 197 Ca 0.12 -0.63 0.05 0.00 0.43 0.00 0.00 52.55 52.52 1nec s ASP 197 Cb 0.16 -2.56 0.72 0.00 -0.30 0.00 0.00 42.92 40.94 1nec s ASP 197 CO 0.52 -1.86 1.98 2.19 -0.17 0.00 0.00 175.17 177.83 1nec h PHE 198 N 10.56 0.58 0.00 -5.34 -5.15 -1.88 -2.66 116.94 113.05 1nec h PHE 198 Ca -0.14 -0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.62 1nec h PHE 198 Cb 1.05 -0.19 0.00 0.00 0.22 0.00 0.00 35.95 37.03 1nec h PHE 198 CO 1.16 0.44 0.00 -1.71 -2.00 0.00 0.00 178.31 176.20 1nec n ASN 199 N -4.40 0.70 0.03 -0.68 5.15 -1.26 -3.74 115.26 111.07 1nec n ASN 199 Ca 0.03 0.64 0.01 0.00 -0.60 0.00 0.00 54.58 54.65 1nec n ASN 199 Cb 0.12 -0.80 0.33 0.00 -0.53 0.00 0.00 39.78 38.91 1nec n ASN 199 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1nec h ALA 200 N 2.35 1.42 -0.02 5.20 0.00 -1.79 -3.10 119.26 123.33 1nec h ALA 200 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1nec h ALA 200 Cb 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1nec h ALA 200 CO 0.00 0.40 -0.09 0.25 0.00 0.00 0.00 179.25 179.81 1nec n THR 201 N -4.29 0.00 -2.93 0.00 -2.24 -1.25 -4.98 114.28 98.60 1nec n THR 201 Ca 0.01 -0.45 -0.32 0.00 -2.27 0.00 0.00 64.05 61.01 1nec n THR 201 Cb 0.24 1.31 -0.06 0.00 -2.10 0.00 0.00 70.33 69.73 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 -1.60 3.94 0.55 3.22 1.43 -1.17 -5.03 118.68 120.02 1nec s LEU 202 Ca 0.18 1.40 -0.20 0.00 -1.03 0.00 0.00 54.13 54.48 1nec s LEU 202 Cb 0.14 -4.25 -0.05 0.00 0.03 0.00 0.00 46.19 42.06 1nec s LEU 202 CO 0.27 -0.32 1.17 -2.16 0.23 0.00 0.00 176.35 175.54 1nec s PRO 203 N -3.29 3.28 0.44 1.29 0.04 -1.26 -5.01 135.00 130.49 1nec s PRO 203 Ca 0.56 1.73 -0.23 0.00 0.04 0.00 0.00 61.00 63.11 1nec s PRO 203 Cb -0.10 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 1nec s PRO 203 CO 0.20 -0.93 1.10 0.15 0.04 0.00 0.00 177.00 177.55 1nec s LYS 204 N -3.19 3.93 -0.03 4.56 1.02 -1.26 -5.05 119.74 119.71 1nec s LYS 204 Ca 0.73 1.60 0.00 0.00 0.02 0.00 0.00 55.97 58.32 1nec s LYS 204 Cb -0.27 -2.41 0.03 0.00 -0.52 0.00 0.00 37.83 34.65 1nec s LYS 204 CO 0.31 -0.37 0.01 0.45 -0.92 0.00 0.00 175.35 174.83 1nec s SER 205 N -1.54 0.59 0.03 2.83 0.15 -1.26 -5.13 113.70 109.36 1nec s SER 205 Ca 0.62 -0.02 -0.03 0.00 0.70 0.00 0.00 55.95 57.22 1nec s SER 205 Cb -0.24 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 63.82 1nec s SER 205 CO 0.29 -0.12 0.03 -0.13 1.20 0.00 0.00 173.24 174.51 1nec s ARG 206 N 1.20 0.46 0.51 5.44 1.81 -1.26 -5.14 118.95 121.96 1nec s ARG 206 Ca -0.07 -0.72 -0.23 0.00 -1.72 0.00 0.00 55.73 52.98 1nec s ARG 206 Cb -0.13 0.17 -0.06 0.00 -0.45 0.00 0.00 34.95 34.48 1nec s ARG 206 CO -0.02 -0.10 1.36 1.28 -0.68 0.00 0.00 175.30 177.14 1nec n LEU 207 N 1.09 5.18 -4.77 2.53 4.77 -1.26 -4.95 117.00 119.59 1nec n LEU 207 Ca -0.21 1.03 -0.33 0.00 -0.03 0.00 0.00 56.01 56.47 1nec n LEU 207 Cb 0.57 -1.57 0.05 0.00 -2.33 0.00 0.00 43.42 40.14 1nec n LEU 207 CO 0.22 -0.52 0.73 -2.16 -1.33 0.00 0.00 177.39 174.34 1nec s PRO 208 N -2.68 2.77 0.59 3.23 0.04 -1.26 -4.90 135.00 132.78 1nec s PRO 208 Ca 0.68 1.34 0.29 0.00 0.04 0.00 0.00 61.00 63.35 1nec s PRO 208 Cb -0.44 -1.95 1.76 0.00 0.04 0.00 0.00 34.50 33.91 1nec s PRO 208 CO 0.52 -1.27 2.21 -0.07 0.04 0.00 0.00 177.00 178.43 1nec h LEU 209 N -0.11 0.00 -1.60 -3.56 3.38 -1.97 -2.02 115.31 109.44 1nec h LEU 209 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1nec h LEU 209 Cb 1.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1nec h LEU 209 CO 0.54 0.00 0.26 0.77 0.09 0.00 0.00 178.44 180.10 1nec h SER 210 N 0.00 0.47 0.21 -0.43 4.64 -1.92 -1.25 113.55 115.26 1nec h SER 210 Ca 0.03 -0.01 -0.35 0.00 -0.47 0.00 0.00 61.79 60.98 1nec h SER 210 Cb 0.15 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1nec h SER 210 CO -0.00 0.34 -1.74 0.74 -0.87 0.00 0.00 176.83 175.30 1nec h THR 211 N 0.55 0.95 0.00 2.95 2.02 -1.74 -3.41 112.91 114.22 1nec h THR 211 Ca 0.15 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 64.80 1nec h THR 211 Cb -0.06 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 1nec h THR 211 CO -0.03 0.86 -1.32 2.30 0.37 0.00 0.00 175.52 177.70 1nec n ILE 212 N -3.58 0.00 -4.78 3.11 -5.35 -1.12 -4.95 119.36 102.68 1nec n ILE 212 Ca -0.24 -0.17 -0.30 0.00 -0.27 0.00 0.00 62.75 61.77 1nec n ILE 212 Cb 1.07 0.67 -0.14 0.00 -1.74 0.00 0.00 39.64 39.50 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 -3.14 2.13 -0.10 7.28 1.01 -0.49 -5.08 120.40 122.01 1nec s VAL 213 Ca 0.03 -1.46 0.01 0.00 0.00 0.00 0.00 61.98 60.56 1nec s VAL 213 Cb 0.15 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.71 1nec s VAL 213 CO 0.87 0.30 -0.10 -0.89 0.00 0.00 0.00 175.10 175.27 1nec s THR 214 N -0.86 1.16 -0.20 3.92 2.01 -1.26 -4.74 115.64 115.67 1nec s THR 214 Ca 0.12 -0.42 -0.08 0.00 0.31 0.00 0.00 61.69 61.62 1nec s THR 214 Cb -0.10 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 1nec s THR 214 CO 0.03 0.38 0.09 -1.61 -0.69 0.00 0.00 174.62 172.82 1nec s GLU 215 N 1.31 3.97 0.00 4.92 2.02 -1.26 -5.25 118.70 124.41 1nec s GLU 215 Ca -0.02 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 54.64 1nec s GLU 215 Cb -0.14 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.78 1nec s GLU 215 CO -0.04 0.18 0.27 0.00 0.02 0.00 0.00 175.26 175.68