#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n7k s SER 3 N 0.00 5.72 0.23 2.55 1.04 -1.26 -4.95 113.70 117.02 1n7k s SER 3 Ca 0.00 -0.17 -0.07 0.00 0.48 0.00 0.00 55.95 56.19 1n7k s SER 3 Cb 0.00 -1.01 0.28 0.00 0.10 0.00 0.00 66.02 65.39 1n7k s SER 3 CO 0.00 -0.71 1.84 0.00 0.98 0.00 0.00 173.24 175.35 1n7k h ALA 4 N 0.58 1.06 -0.78 5.32 0.00 -2.06 -0.66 119.26 122.72 1n7k h ALA 4 Ca -0.43 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1n7k h ALA 4 Cb 1.27 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1n7k h ALA 4 CO 0.51 0.21 0.51 0.00 0.00 0.00 0.00 179.25 180.48 1n7k h ARG 5 N 0.88 1.00 -0.09 0.00 3.08 -2.00 -2.51 114.38 114.74 1n7k h ARG 5 Ca 0.34 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.37 1n7k h ARG 5 Cb 0.14 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 29.92 1n7k h ARG 5 CO -0.16 0.66 -0.22 -0.44 -1.07 0.00 0.00 179.97 178.74 1n7k h ASP 6 N 1.03 -0.67 -0.47 7.04 3.32 -1.50 -0.24 116.42 124.92 1n7k h ASP 6 Ca 0.30 0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.39 1n7k h ASP 6 Cb -0.08 0.30 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1n7k h ASP 6 CO -0.08 -0.28 0.07 0.16 -1.72 0.00 0.00 179.24 177.39 1n7k h ILE 7 N -0.30 1.24 0.17 0.35 3.07 -1.25 0.42 117.51 121.22 1n7k h ILE 7 Ca 0.09 -0.94 -0.01 0.00 1.55 0.00 0.00 64.86 65.55 1n7k h ILE 7 Cb 0.43 0.76 0.00 0.00 -0.27 0.00 0.00 36.82 37.74 1n7k h ILE 7 CO -0.27 0.34 -0.08 -0.07 -1.05 0.00 0.00 178.15 177.02 1n7k h LEU 8 N 0.81 -0.20 -0.63 0.16 -0.00 -1.13 -0.91 115.31 113.40 1n7k h LEU 8 Ca 0.17 -0.10 0.02 0.00 -0.00 0.00 0.00 57.88 57.96 1n7k h LEU 8 Cb 0.39 0.05 -0.04 0.00 -0.00 0.00 0.00 40.66 41.06 1n7k h LEU 8 CO 0.01 -0.02 0.41 -0.61 -0.00 0.00 0.00 178.44 178.23 1n7k h GLN 9 N -0.37 0.79 -0.54 1.13 5.75 -0.87 -0.62 115.11 120.38 1n7k h GLN 9 Ca -0.02 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 1n7k h GLN 9 Cb 0.29 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 1n7k h GLN 9 CO 0.04 0.52 0.23 1.96 -2.65 0.00 0.00 178.83 178.93 1n7k h GLN 10 N 0.81 0.77 -0.20 1.69 4.20 -0.81 0.19 115.11 121.75 1n7k h GLN 10 Ca 0.24 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 1n7k h GLN 10 Cb -0.04 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1n7k h GLN 10 CO -0.08 0.62 -0.02 0.78 -0.67 0.00 0.00 178.83 179.46 1n7k h GLY 11 N 0.89 0.40 1.05 3.46 0.00 -0.32 -2.38 103.07 106.16 1n7k h GLY 11 Ca 0.19 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 1n7k h GLY 11 CO -0.02 0.28 0.39 1.41 0.00 0.00 0.00 176.54 178.60 1n7k h LEU 12 N 0.11 1.11 -1.35 3.11 3.38 -0.68 -1.10 115.31 119.88 1n7k h LEU 12 Ca 0.05 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1n7k h LEU 12 Cb 0.44 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1n7k h LEU 12 CO 0.01 0.95 0.03 0.44 0.09 0.00 0.00 178.44 179.97 1n7k h ASP 13 N 1.21 0.43 0.50 -0.43 3.32 -0.53 -3.21 116.42 117.71 1n7k h ASP 13 Ca 0.29 -0.06 -0.29 0.00 0.02 0.00 0.00 57.03 56.98 1n7k h ASP 13 Cb 0.14 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 1n7k h ASP 13 CO -0.03 0.47 -1.67 0.03 -1.72 0.00 0.00 179.24 176.31 1n7k h ARG 14 N 0.45 0.02 -3.40 3.56 3.08 -1.12 -3.42 114.38 113.54 1n7k h ARG 14 Ca 0.10 -0.03 -0.70 0.00 0.07 0.00 0.00 59.98 59.42 1n7k h ARG 14 Cb 0.25 0.01 -0.35 0.00 0.08 0.00 0.00 29.97 29.96 1n7k h ARG 14 CO 0.00 0.58 -0.17 -0.51 -1.07 0.00 0.00 179.97 178.80 1n7k s LEU 15 N -6.20 5.49 0.04 3.04 1.02 -0.44 -4.87 118.68 116.76 1n7k s LEU 15 Ca -0.05 -3.44 0.07 0.00 0.02 0.00 0.00 54.13 50.72 1n7k s LEU 15 Cb 0.08 -1.90 -0.23 0.00 0.02 0.00 0.00 46.19 44.16 1n7k s LEU 15 CO 0.82 -0.25 1.00 1.23 0.02 0.00 0.00 176.35 179.17 1n7k h GLY 16 N 6.36 0.06 -2.72 -3.19 0.00 -1.83 -3.45 103.07 98.30 1n7k h GLY 16 Ca 0.11 -0.16 -0.34 0.00 0.00 0.00 0.00 47.33 46.94 1n7k h GLY 16 CO 0.81 0.14 -0.70 -1.35 0.00 0.00 0.00 176.54 175.44 1n7k s SER 17 N -6.58 1.79 0.39 0.19 1.04 -1.26 -5.03 113.70 104.25 1n7k s SER 17 Ca -0.03 -1.07 0.07 0.00 0.48 0.00 0.00 55.95 55.41 1n7k s SER 17 Cb 0.09 -0.00 0.81 0.00 0.10 0.00 0.00 66.02 67.02 1n7k s SER 17 CO 0.83 -0.38 2.00 -0.65 0.98 0.00 0.00 173.24 176.02 1n7k h PRO 18 N 2.70 0.63 -0.57 4.02 0.11 -1.97 -1.13 132.00 135.79 1n7k h PRO 18 Ca -0.37 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 1n7k h PRO 18 Cb 1.20 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1n7k h PRO 18 CO 0.64 0.42 0.33 0.93 -0.21 0.00 0.00 178.00 180.11 1n7k h GLU 19 N 0.65 0.79 -0.57 1.05 3.07 -1.95 0.25 114.58 117.87 1n7k h GLU 19 Ca 0.25 -0.08 0.06 0.00 -0.50 0.00 0.00 59.36 59.09 1n7k h GLU 19 Cb 0.18 -0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 27.88 1n7k h GLU 19 CO -0.07 0.58 0.29 -0.44 -1.40 0.00 0.00 179.01 177.97 1n7k h ASP 20 N 0.77 0.41 0.46 1.42 3.32 -1.60 -0.00 116.42 121.19 1n7k h ASP 20 Ca 0.20 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1n7k h ASP 20 Cb 0.01 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1n7k h ASP 20 CO -0.04 0.27 -0.22 0.25 -1.72 0.00 0.00 179.24 177.79 1n7k h LEU 21 N 0.55 -0.52 -1.21 1.55 5.85 -1.06 -3.04 115.31 117.42 1n7k h LEU 21 Ca 0.26 -0.09 0.24 0.00 0.84 0.00 0.00 57.88 59.13 1n7k h LEU 21 Cb 0.18 0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.24 1n7k h LEU 21 CO -0.18 -0.17 0.63 0.00 -0.34 0.00 0.00 178.44 178.38 1n7k h ALA 22 N -0.54 2.00 0.00 1.25 0.00 -0.35 0.17 119.26 121.79 1n7k h ALA 22 Ca -0.06 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n7k h ALA 22 Cb 0.58 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1n7k h ALA 22 CO 0.10 -0.41 -0.01 0.77 0.00 0.00 0.00 179.25 179.71 1n7k h SER 23 N 0.52 0.00 -0.02 0.00 0.02 -0.88 -2.49 113.55 110.69 1n7k h SER 23 Ca 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.55 1n7k h SER 23 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1n7k h SER 23 CO -0.35 0.01 -0.05 0.54 -1.14 0.00 0.00 176.83 175.83 1n7k n ARG 24 N -3.11 1.80 -3.17 3.45 1.74 0.58 -4.12 116.66 113.82 1n7k n ARG 24 Ca -0.01 -1.62 -0.40 0.00 -0.77 0.00 0.00 57.85 55.05 1n7k n ARG 24 Cb 0.19 -1.39 -0.07 0.00 -1.02 0.00 0.00 32.46 30.17 1n7k n ARG 24 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1n7k s ILE 25 N -1.77 5.03 -0.76 0.55 1.01 -0.96 0.07 121.20 124.37 1n7k s ILE 25 Ca 0.23 1.01 -0.20 0.00 0.00 0.00 0.00 60.65 61.70 1n7k s ILE 25 Cb 0.17 -3.88 0.11 0.00 0.01 0.00 0.00 42.46 38.87 1n7k s ILE 25 CO 0.29 0.06 0.94 -1.81 0.00 0.00 0.00 174.94 174.43 1n7k s ASP 26 N 1.48 6.39 -0.11 3.58 1.11 0.13 -0.93 116.67 128.31 1n7k s ASP 26 Ca 0.24 -1.62 -0.29 0.00 0.18 0.00 0.00 52.55 51.05 1n7k s ASP 26 Cb -0.16 -2.37 -0.04 0.00 1.07 0.00 0.00 42.92 41.42 1n7k s ASP 26 CO 0.09 -1.16 1.64 -0.55 1.18 0.00 0.00 175.17 176.37 1n7k s SER 27 N 3.55 6.56 0.11 0.27 0.15 -0.53 -2.76 113.70 121.06 1n7k s SER 27 Ca 0.23 2.02 0.08 0.00 0.70 0.00 0.00 55.95 58.98 1n7k s SER 27 Cb -0.14 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.60 1n7k s SER 27 CO 0.00 -1.04 -0.15 -0.89 1.20 0.00 0.00 173.24 172.36 1n7k s THR 28 N 4.47 3.04 -0.27 6.45 2.01 0.08 -0.78 115.64 130.65 1n7k s THR 28 Ca 0.73 -1.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.30 1n7k s THR 28 Cb -0.30 -2.41 0.13 0.00 0.01 0.00 0.00 72.50 69.93 1n7k s THR 28 CO 0.29 0.10 0.32 -0.22 -0.69 0.00 0.00 174.62 174.42 1n7k s LEU 29 N -2.18 -0.39 -0.41 4.42 2.96 -0.96 -4.14 118.68 117.98 1n7k s LEU 29 Ca 0.19 -0.44 0.10 0.00 -0.22 0.00 0.00 54.13 53.76 1n7k s LEU 29 Cb -0.11 0.70 0.32 0.00 0.50 0.00 0.00 46.19 47.61 1n7k s LEU 29 CO 0.12 -0.36 0.71 0.18 -1.32 0.00 0.00 176.35 175.68 1n7k n LEU 30 N 5.33 1.26 -4.36 -0.68 4.77 -1.26 -4.32 117.00 117.74 1n7k n LEU 30 Ca -0.02 -5.04 -0.30 0.00 -0.03 0.00 0.00 56.01 50.62 1n7k n LEU 30 Cb 0.48 0.48 -0.14 0.00 -2.33 0.00 0.00 43.42 41.91 1n7k n LEU 30 CO 0.02 2.24 -0.57 -0.55 -1.33 0.00 0.00 177.39 177.20 1n7k s SER 31 N -2.27 3.22 0.50 -1.43 0.15 -1.26 -5.00 113.70 107.61 1n7k s SER 31 Ca 0.40 -0.64 0.34 0.00 0.70 0.00 0.00 55.95 56.74 1n7k s SER 31 Cb 0.29 -0.27 1.62 0.00 -1.71 0.00 0.00 66.02 65.95 1n7k s SER 31 CO -0.09 0.23 2.01 -0.65 1.20 0.00 0.00 173.24 175.94 1n7k h PRO 32 N 4.48 0.00 0.00 5.44 0.11 -2.06 -1.85 132.00 138.12 1n7k h PRO 32 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1n7k h PRO 32 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1n7k h PRO 32 CO 0.42 0.00 -0.95 0.54 -0.21 0.00 0.00 178.00 177.80 1n7k n ARG 33 N -2.81 0.37 -1.66 1.05 1.74 -1.26 -4.96 116.66 109.13 1n7k n ARG 33 Ca -0.01 0.04 -0.47 0.00 -0.77 0.00 0.00 57.85 56.65 1n7k n ARG 33 Cb 0.17 -1.66 -0.04 0.00 -1.02 0.00 0.00 32.46 29.91 1n7k n ARG 33 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1n7k n ALA 34 N -1.92 1.14 -2.42 7.54 0.00 -0.70 -5.00 120.51 119.15 1n7k n ALA 34 Ca 0.02 0.44 -0.22 0.00 0.00 0.00 0.00 53.44 53.67 1n7k n ALA 34 Cb 0.47 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.52 1n7k n ALA 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1n7k s THR 35 N 1.13 2.88 0.24 0.00 -4.23 -1.26 -4.99 115.64 109.40 1n7k s THR 35 Ca 0.80 -1.54 -0.05 0.00 -1.18 0.00 0.00 61.69 59.72 1n7k s THR 35 Cb -0.70 -3.03 0.21 0.00 1.34 0.00 0.00 72.50 70.33 1n7k s THR 35 CO 0.40 -0.10 1.84 -0.33 -0.54 0.00 0.00 174.62 175.88 1n7k h GLU 36 N 1.33 0.88 -0.41 3.99 4.39 -1.99 -0.83 114.58 121.93 1n7k h GLU 36 Ca -0.43 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.25 1n7k h GLU 36 Cb 1.26 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.67 1n7k h GLU 36 CO 0.62 0.58 0.19 1.49 -1.16 0.00 0.00 179.01 180.73 1n7k h GLU 37 N 0.90 0.38 -0.67 2.33 4.57 -2.00 -0.42 114.58 119.68 1n7k h GLU 37 Ca 0.38 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.59 1n7k h GLU 37 Cb 0.25 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 28.70 1n7k h GLU 37 CO -0.20 0.25 0.39 -0.44 -1.18 0.00 0.00 179.01 177.83 1n7k h ASP 38 N 0.39 0.60 -0.80 1.04 3.32 -1.59 -1.84 116.42 117.54 1n7k h ASP 38 Ca 0.18 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1n7k h ASP 38 Cb 0.11 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 1n7k h ASP 38 CO -0.14 0.40 0.36 0.58 -1.72 0.00 0.00 179.24 178.71 1n7k h VAL 39 N 0.73 1.26 -0.55 -1.35 2.07 -0.43 -0.13 116.25 117.84 1n7k h VAL 39 Ca 0.29 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1n7k h VAL 39 Cb 0.13 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1n7k h VAL 39 CO -0.16 0.32 0.32 0.03 0.02 0.00 0.00 177.57 178.10 1n7k h ARG 40 N 1.14 0.74 -0.71 1.57 3.08 -0.58 -1.52 114.38 118.10 1n7k h ARG 40 Ca 0.27 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 1n7k h ARG 40 Cb 0.16 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1n7k h ARG 40 CO -0.03 0.54 0.43 -0.91 -1.07 0.00 0.00 179.97 178.93 1n7k h ASN 41 N 0.73 0.85 0.11 7.04 -0.26 -0.86 -0.58 115.58 122.62 1n7k h ASN 41 Ca 0.20 -0.06 0.01 0.00 -0.56 0.00 0.00 56.30 55.88 1n7k h ASN 41 Cb -0.01 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.02 1n7k h ASN 41 CO -0.04 0.67 -0.15 0.25 -1.06 0.00 0.00 177.43 177.10 1n7k h LEU 42 N 0.97 -0.40 -0.81 1.61 5.85 -0.51 -0.50 115.31 121.53 1n7k h LEU 42 Ca 0.25 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.96 1n7k h LEU 42 Cb -0.03 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1n7k h LEU 42 CO -0.05 -0.22 0.22 0.58 -0.34 0.00 0.00 178.44 178.63 1n7k h VAL 43 N -0.31 1.26 -0.41 1.05 2.07 -1.08 -0.46 116.25 118.37 1n7k h VAL 43 Ca 0.01 -0.90 -0.09 0.00 0.82 0.00 0.00 66.70 66.54 1n7k h VAL 43 Cb 0.31 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1n7k h VAL 43 CO -0.06 0.35 -0.10 0.03 0.02 0.00 0.00 177.57 177.81 1n7k h ARG 44 N 1.06 0.80 -0.02 1.57 3.08 -0.93 -2.38 114.38 117.56 1n7k h ARG 44 Ca 0.23 -0.31 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 1n7k h ARG 44 Cb 0.31 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1n7k h ARG 44 CO -0.01 0.92 -0.53 0.93 -1.07 0.00 0.00 179.97 180.21 1n7k h GLU 45 N 0.62 0.05 -0.81 0.04 5.08 -0.95 -0.66 114.58 117.94 1n7k h GLU 45 Ca 0.10 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1n7k h GLU 45 Cb 0.63 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 1n7k h GLU 45 CO 0.04 0.58 0.53 0.00 -1.00 0.00 0.00 179.01 179.16 1n7k h ALA 46 N 1.42 1.04 -0.03 3.43 0.00 -0.85 0.19 119.26 124.46 1n7k h ALA 46 Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1n7k h ALA 46 Cb 0.96 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1n7k h ALA 46 CO 0.07 0.39 0.00 1.03 0.00 0.00 0.00 179.25 180.75 1n7k h SER 47 N 1.06 0.06 -0.39 0.00 0.87 -0.98 0.34 113.55 114.51 1n7k h SER 47 Ca 0.31 -0.28 0.07 0.00 -1.23 0.00 0.00 61.79 60.66 1n7k h SER 47 Cb -0.07 -0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 61.81 1n7k h SER 47 CO -0.09 0.32 -0.05 0.44 -0.53 0.00 0.00 176.83 176.93 1n7k h ASP 48 N -0.21 -0.26 0.55 6.23 3.45 -0.44 -2.73 116.42 123.01 1n7k h ASP 48 Ca 0.01 0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.57 1n7k h ASP 48 Cb 0.29 0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 1n7k h ASP 48 CO 0.00 -0.09 -0.27 -1.22 -1.57 0.00 0.00 179.24 176.10 1n7k n TYR 49 N -5.25 0.00 -2.86 4.55 4.01 0.61 -4.96 117.16 113.26 1n7k n TYR 49 Ca 0.02 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.63 1n7k n TYR 49 Cb 0.21 -0.28 0.03 0.00 -0.31 0.00 0.00 39.34 38.99 1n7k n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1n7k n GLY 50 N 1.43 0.06 3.77 2.72 0.00 -0.01 -4.85 105.19 108.31 1n7k n GLY 50 Ca 0.09 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 1n7k n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n7k s PHE 51 N -3.01 2.63 0.23 1.61 0.08 -0.51 -3.92 117.98 115.09 1n7k s PHE 51 Ca 0.24 1.55 -0.06 0.00 0.12 0.00 0.00 56.93 58.78 1n7k s PHE 51 Cb -0.10 -3.12 0.36 0.00 -0.57 0.00 0.00 43.02 39.59 1n7k s PHE 51 CO 0.29 -1.70 1.79 -0.09 -0.10 0.00 0.00 175.22 175.41 1n7k h ARG 52 N -0.37 0.67 -2.10 0.44 2.43 -0.82 -3.47 114.38 111.15 1n7k h ARG 52 Ca -0.46 -0.04 0.29 0.00 -0.81 0.00 0.00 59.98 58.96 1n7k h ARG 52 Cb 1.24 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.57 1n7k h ARG 52 CO 0.53 0.44 0.79 0.00 -1.51 0.00 0.00 179.97 180.23 1n7k s ALA 54 N -2.19 2.74 -0.23 0.00 0.00 -0.61 -1.45 121.76 120.02 1n7k s ALA 54 Ca 0.24 -0.88 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 1n7k s ALA 54 Cb 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 1n7k s ALA 54 CO 0.00 0.21 0.06 0.08 0.00 0.00 0.00 175.76 176.12 1n7k s VAL 55 N 0.40 4.42 0.23 0.00 1.01 0.04 -0.54 120.40 125.96 1n7k s VAL 55 Ca -0.08 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1n7k s VAL 55 Cb -0.15 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1n7k s VAL 55 CO 0.04 0.38 0.16 -0.76 0.00 0.00 0.00 175.10 174.93 1n7k s LEU 56 N 1.21 1.27 0.72 3.92 1.43 0.19 -2.28 118.68 125.14 1n7k s LEU 56 Ca 0.04 -1.46 -0.11 0.00 -1.03 0.00 0.00 54.13 51.57 1n7k s LEU 56 Cb -0.14 0.43 0.02 0.00 0.03 0.00 0.00 46.19 46.53 1n7k s LEU 56 CO 0.03 -0.89 1.08 0.42 0.23 0.00 0.00 176.35 177.22 1n7k s THR 57 N -4.01 3.66 0.22 5.49 -4.23 -1.26 -1.66 115.64 113.85 1n7k s THR 57 Ca 0.39 0.54 -0.08 0.00 -1.18 0.00 0.00 61.69 61.36 1n7k s THR 57 Cb 0.06 -3.37 0.18 0.00 1.34 0.00 0.00 72.50 70.71 1n7k s THR 57 CO 0.15 -0.70 1.71 -0.65 -0.54 0.00 0.00 174.62 174.59 1n7k h PRO 58 N -0.78 0.30 -0.25 3.99 0.11 -1.95 -0.48 132.00 132.93 1n7k h PRO 58 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1n7k h PRO 58 Cb 1.24 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1n7k h PRO 58 CO 0.60 0.20 0.12 0.28 -0.21 0.00 0.00 178.00 178.99 1n7k h VAL 59 N 0.31 1.14 0.00 3.15 2.07 -1.97 -2.37 116.25 118.58 1n7k h VAL 59 Ca 0.35 -0.42 -0.13 0.00 0.82 0.00 0.00 66.70 67.32 1n7k h VAL 59 Cb 0.52 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1n7k h VAL 59 CO -0.41 0.14 -0.60 1.88 0.02 0.00 0.00 177.57 178.60 1n7k h TYR 60 N 0.27 0.00 -0.56 1.57 0.05 -1.88 -1.47 116.97 114.95 1n7k h TYR 60 Ca 0.09 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.88 1n7k h TYR 60 Cb 0.12 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.83 1n7k h TYR 60 CO -0.02 0.60 0.36 1.15 -1.05 0.00 0.00 178.16 179.20 1n7k h THR 61 N 0.00 1.10 -0.13 -2.88 2.02 -0.92 -0.03 112.91 112.08 1n7k h THR 61 Ca -0.01 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 1n7k h THR 61 Cb 1.10 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1n7k h THR 61 CO 0.08 0.13 -0.01 0.58 0.37 0.00 0.00 175.52 176.67 1n7k h VAL 62 N 0.72 1.26 -0.31 3.16 2.07 -1.19 -2.01 116.25 119.95 1n7k h VAL 62 Ca 0.22 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 1n7k h VAL 62 Cb -0.03 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1n7k h VAL 62 CO -0.07 0.25 0.01 0.11 0.02 0.00 0.00 177.57 177.89 1n7k h LYS 63 N -0.04 0.47 -0.01 1.57 1.57 -1.03 -3.06 116.57 116.04 1n7k h LYS 63 Ca 0.04 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1n7k h LYS 63 Cb 0.39 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1n7k h LYS 63 CO 0.01 0.49 -0.43 1.51 -0.57 0.00 0.00 179.45 180.46 1n7k n ILE 64 N -4.31 0.00 -0.34 1.86 0.13 -0.04 -4.44 119.36 112.22 1n7k n ILE 64 Ca 0.01 -0.12 0.15 0.00 -1.10 0.00 0.00 62.75 61.69 1n7k n ILE 64 Cb 0.22 0.62 0.35 0.00 -0.84 0.00 0.00 39.64 39.99 1n7k n ILE 64 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 1n7k h SER 65 N 1.14 0.64 0.36 9.51 4.64 -1.25 0.96 113.55 129.56 1n7k h SER 65 Ca 0.00 0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.43 1n7k h SER 65 Cb 0.56 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1n7k h SER 65 CO 0.00 0.14 -0.17 1.23 -0.87 0.00 0.00 176.83 177.16 1n7k h GLY 66 N 0.60 -0.51 1.00 -0.77 0.00 -1.81 -0.82 103.07 100.77 1n7k h GLY 66 Ca 0.60 0.19 0.00 0.00 0.00 0.00 0.00 47.33 48.12 1n7k h GLY 66 CO -0.45 -0.18 0.21 -2.00 0.00 0.00 0.00 176.54 174.11 1n7k h LEU 67 N -0.51 0.37 -0.60 3.11 5.85 -1.58 -2.05 115.31 119.90 1n7k h LEU 67 Ca -0.05 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.75 1n7k h LEU 67 Cb 0.39 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 1n7k h LEU 67 CO 0.08 0.28 0.20 0.00 -0.34 0.00 0.00 178.44 178.66 1n7k h ALA 68 N 1.11 0.76 -0.54 1.25 0.00 -0.73 -0.32 119.26 120.78 1n7k h ALA 68 Ca 0.12 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1n7k h ALA 68 Cb -0.04 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1n7k h ALA 68 CO -0.02 -0.23 0.30 1.49 0.00 0.00 0.00 179.25 180.79 1n7k h GLU 69 N 0.36 0.75 -0.87 0.00 4.81 -0.84 0.11 114.58 118.92 1n7k h GLU 69 Ca 0.31 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1n7k h GLU 69 Cb 0.40 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 1n7k h GLU 69 CO -0.33 0.58 0.53 -0.22 -0.73 0.00 0.00 179.01 178.84 1n7k h LYS 70 N 0.73 1.17 -0.16 1.92 3.64 -0.54 -2.56 116.57 120.77 1n7k h LYS 70 Ca 0.19 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1n7k h LYS 70 Cb 0.04 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1n7k h LYS 70 CO -0.03 0.81 0.00 1.28 -2.27 0.00 0.00 179.45 179.24 1n7k n LEU 71 N -4.43 2.12 -2.96 5.20 4.77 -0.24 -4.96 117.00 116.51 1n7k n LEU 71 Ca 0.09 -0.83 -0.18 0.00 -0.03 0.00 0.00 56.01 55.06 1n7k n LEU 71 Cb 0.05 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1n7k n LEU 71 CO 0.37 0.42 0.18 0.61 -1.33 0.00 0.00 177.39 177.64 1n7k n GLY 72 N 1.24 -0.23 3.45 -0.72 0.00 0.03 -4.90 105.19 104.06 1n7k n GLY 72 Ca 0.17 0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1n7k n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n7k s VAL 73 N -3.26 4.26 0.36 1.61 1.01 0.18 -5.01 120.40 119.55 1n7k s VAL 73 Ca 0.39 -0.19 -0.28 0.00 0.00 0.00 0.00 61.98 61.91 1n7k s VAL 73 Cb -0.17 -2.98 -0.10 0.00 0.00 0.00 0.00 36.38 33.13 1n7k s VAL 73 CO 0.58 0.36 1.31 -0.75 0.00 0.00 0.00 175.10 176.60 1n7k s LYS 74 N 1.47 4.19 -0.09 2.72 2.20 -1.26 -4.53 119.74 124.43 1n7k s LYS 74 Ca 0.06 2.20 0.01 0.00 -0.36 0.00 0.00 55.97 57.87 1n7k s LYS 74 Cb -0.15 -2.94 -0.02 0.00 -1.51 0.00 0.00 37.83 33.21 1n7k s LYS 74 CO 0.03 -0.32 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.08 1n7k s LEU 75 N -2.06 2.86 -0.08 5.43 1.43 -1.26 -1.57 118.68 123.43 1n7k s LEU 75 Ca 0.52 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 1n7k s LEU 75 Cb -0.39 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.21 1n7k s LEU 75 CO 0.51 0.26 -0.16 0.00 0.23 0.00 0.00 176.35 177.19 1n7k s SER 77 N 0.63 4.15 0.39 0.00 0.15 -0.76 -0.64 113.70 117.62 1n7k s SER 77 Ca -0.14 -0.24 -0.19 0.00 0.70 0.00 0.00 55.95 56.08 1n7k s SER 77 Cb -0.16 -0.86 -0.10 0.00 -1.71 0.00 0.00 66.02 63.19 1n7k s SER 77 CO 0.04 0.30 0.88 0.68 1.20 0.00 0.00 173.24 176.34 1n7k s VAL 78 N -0.86 4.48 -0.06 4.45 -7.23 -0.66 -0.92 120.40 119.60 1n7k s VAL 78 Ca 0.14 1.32 0.02 0.00 -1.81 0.00 0.00 61.98 61.65 1n7k s VAL 78 Cb -0.11 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.23 1n7k s VAL 78 CO 0.04 -0.25 -0.11 -0.63 -0.31 0.00 0.00 175.10 173.83 1n7k s ILE 79 N -2.09 1.07 -1.85 -0.62 -1.09 -0.60 -4.26 121.20 111.75 1n7k s ILE 79 Ca 0.59 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.57 1n7k s ILE 79 Cb -0.10 -0.99 0.00 0.00 -1.58 0.00 0.00 42.46 39.79 1n7k s ILE 79 CO 0.15 0.34 0.00 0.61 -1.23 0.00 0.00 174.94 174.81 1n7k n GLY 80 N 3.88 0.12 3.80 6.18 0.00 -1.26 -1.57 105.19 116.35 1n7k n GLY 80 Ca -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1n7k n GLY 80 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1n7k s PHE 81 N -2.95 3.81 -0.78 1.61 5.36 -1.26 0.03 117.98 123.80 1n7k s PHE 81 Ca 0.00 1.31 0.18 0.00 -0.96 0.00 0.00 56.93 57.46 1n7k s PHE 81 Cb 0.00 -2.53 -0.20 0.00 -0.34 0.00 0.00 43.02 39.95 1n7k s PHE 81 CO 0.00 0.57 0.73 -0.35 -1.46 0.00 0.00 175.22 174.71 1n7k n PRO 82 N 1.75 1.04 0.09 10.12 -0.04 -1.26 -4.84 135.00 141.86 1n7k n PRO 82 Ca -0.10 -0.01 -0.03 0.00 -0.04 0.00 0.00 63.50 63.32 1n7k n PRO 82 Cb 0.51 -1.35 -0.06 0.00 -0.04 0.00 0.00 33.50 32.55 1n7k n PRO 82 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1n7k h LEU 83 N 0.00 0.00 2.05 1.53 5.85 -1.95 -3.48 115.31 119.31 1n7k h LEU 83 Ca 0.00 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.34 1n7k h LEU 83 Cb 0.46 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 1n7k h LEU 83 CO 0.00 0.77 -0.44 0.61 -0.34 0.00 0.00 178.44 179.04 1n7k n GLY 84 N 1.31 0.42 1.49 3.75 0.00 0.10 -4.88 105.19 107.38 1n7k n GLY 84 Ca -0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 1n7k n GLY 84 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n7k n GLN 85 N -2.69 2.34 -3.86 1.61 6.02 -1.26 -2.90 117.38 116.64 1n7k n GLN 85 Ca -0.21 -3.45 -0.28 0.00 -0.01 0.00 0.00 57.00 53.05 1n7k n GLN 85 Cb 0.66 -1.98 -0.03 0.00 1.02 0.00 0.00 30.24 29.91 1n7k n GLN 85 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n7k s ALA 86 N -3.41 3.93 0.79 -1.58 0.00 -1.26 -5.08 121.76 115.16 1n7k s ALA 86 Ca 0.48 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 51.42 1n7k s ALA 86 Cb 0.42 -1.87 0.07 0.00 0.00 0.00 0.00 23.12 21.74 1n7k s ALA 86 CO 0.00 0.59 1.12 -1.25 0.00 0.00 0.00 175.76 176.22 1n7k s PRO 87 N -3.05 1.96 0.25 0.00 0.04 -1.26 -4.79 135.00 128.16 1n7k s PRO 87 Ca 0.36 1.35 -0.03 0.00 0.04 0.00 0.00 61.00 62.73 1n7k s PRO 87 Cb -0.12 -1.85 0.51 0.00 0.04 0.00 0.00 34.50 33.09 1n7k s PRO 87 CO 0.28 -1.89 1.72 1.25 0.04 0.00 0.00 177.00 178.40 1n7k h LEU 88 N -1.13 0.26 -0.58 -3.56 5.85 -1.98 -0.63 115.31 113.55 1n7k h LEU 88 Ca -0.44 0.12 0.11 0.00 0.84 0.00 0.00 57.88 58.51 1n7k h LEU 88 Cb 1.25 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 42.30 1n7k h LEU 88 CO 0.49 0.07 0.11 -0.08 -0.34 0.00 0.00 178.44 178.69 1n7k h GLU 89 N 0.42 0.23 -0.24 1.25 4.81 -1.99 0.37 114.58 119.44 1n7k h GLU 89 Ca 0.44 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.65 1n7k h GLU 89 Cb 0.72 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1n7k h GLU 89 CO -0.44 0.15 0.09 0.28 -0.73 0.00 0.00 179.01 178.37 1n7k h VAL 90 N 0.24 1.17 -0.63 0.32 2.07 -1.49 -2.05 116.25 115.89 1n7k h VAL 90 Ca 0.30 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1n7k h VAL 90 Cb 0.45 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1n7k h VAL 90 CO -0.40 0.17 0.38 0.11 0.02 0.00 0.00 177.57 177.86 1n7k h LYS 91 N 0.23 0.84 -0.51 1.57 1.57 -0.55 -1.34 116.57 118.38 1n7k h LYS 91 Ca 0.08 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 1n7k h LYS 91 Cb 0.18 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1n7k h LYS 91 CO -0.01 0.59 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.25 1n7k h LEU 92 N 0.86 0.99 -0.28 2.94 3.38 -0.03 0.15 115.31 123.32 1n7k h LEU 92 Ca 0.23 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1n7k h LEU 92 Cb -0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1n7k h LEU 92 CO -0.04 1.11 0.05 0.58 0.09 0.00 0.00 178.44 180.23 1n7k h VAL 93 N 0.87 1.23 -0.38 1.22 2.07 -0.93 0.24 116.25 120.56 1n7k h VAL 93 Ca 0.13 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 66.90 1n7k h VAL 93 Cb 0.70 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1n7k h VAL 93 CO 0.05 0.25 0.15 -0.08 0.02 0.00 0.00 177.57 177.97 1n7k h GLU 94 N 0.28 0.31 -0.52 1.57 4.81 -1.05 -1.90 114.58 118.08 1n7k h GLU 94 Ca 0.08 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1n7k h GLU 94 Cb 0.33 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1n7k h GLU 94 CO 0.01 0.21 0.07 0.00 -0.73 0.00 0.00 179.01 178.56 1n7k h ALA 95 N 1.23 0.70 -0.48 2.92 0.00 -0.83 -2.91 119.26 119.89 1n7k h ALA 95 Ca 0.17 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1n7k h ALA 95 Cb 0.13 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1n7k h ALA 95 CO -0.16 0.45 0.15 0.37 0.00 0.00 0.00 179.25 180.06 1n7k h GLN 96 N 0.76 0.30 -0.47 0.00 5.75 -0.54 0.11 115.11 121.02 1n7k h GLN 96 Ca 0.16 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 1n7k h GLN 96 Cb 0.43 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1n7k h GLN 96 CO 0.01 0.20 0.27 1.79 -2.65 0.00 0.00 178.83 178.45 1n7k h THR 97 N 0.31 1.16 -0.33 2.39 1.35 -1.25 0.45 112.91 116.98 1n7k h THR 97 Ca 0.23 -0.39 -0.12 0.00 -0.55 0.00 0.00 66.41 65.58 1n7k h THR 97 Cb 0.26 0.57 -0.01 0.00 -1.73 0.00 0.00 68.15 67.24 1n7k h THR 97 CO -0.26 0.17 -0.31 0.58 -0.25 0.00 0.00 175.52 175.45 1n7k h VAL 98 N 0.62 1.28 -0.39 6.82 2.07 -1.27 -2.34 116.25 123.04 1n7k h VAL 98 Ca 0.17 -1.44 -0.11 0.00 0.82 0.00 0.00 66.70 66.14 1n7k h VAL 98 Cb 0.03 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1n7k h VAL 98 CO -0.03 0.47 -0.19 -0.07 0.02 0.00 0.00 177.57 177.77 1n7k h LEU 99 N 0.59 0.74 -1.57 2.57 3.38 -0.50 -2.21 115.31 118.31 1n7k h LEU 99 Ca 0.07 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1n7k h LEU 99 Cb 0.82 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1n7k h LEU 99 CO 0.07 0.93 -0.12 -0.33 0.09 0.00 0.00 178.44 179.07 1n7k h GLU 100 N 0.65 0.12 0.00 1.13 5.08 -0.62 -2.30 114.58 118.64 1n7k h GLU 100 Ca 0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1n7k h GLU 100 Cb 0.68 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1n7k h GLU 100 CO 0.05 0.25 -0.01 0.00 -1.00 0.00 0.00 179.01 178.30 1n7k n ALA 101 N -2.50 2.31 0.00 3.43 0.00 -0.88 -4.92 120.51 117.95 1n7k n ALA 101 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1n7k n ALA 101 Cb 0.23 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1n7k n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n7k n GLY 102 N 1.38 1.03 3.74 0.00 0.00 -0.87 -4.84 105.19 105.64 1n7k n GLY 102 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1n7k n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n7k s ALA 103 N -2.00 3.66 -1.77 4.61 0.00 -0.94 -4.73 121.76 120.59 1n7k s ALA 103 Ca 0.00 1.33 0.15 0.00 0.00 0.00 0.00 51.96 53.44 1n7k s ALA 103 Cb 0.00 -3.57 0.17 0.00 0.00 0.00 0.00 23.12 19.72 1n7k s ALA 103 CO 0.00 -0.75 1.04 0.25 0.00 0.00 0.00 175.76 176.30 1n7k n THR 104 N 2.76 0.17 -3.85 0.00 -2.24 -0.74 -4.63 114.28 105.75 1n7k n THR 104 Ca 0.08 -0.59 -0.12 0.00 -2.27 0.00 0.00 64.05 61.16 1n7k n THR 104 Cb 0.40 1.17 -0.10 0.00 -2.10 0.00 0.00 70.33 69.70 1n7k n THR 104 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1n7k s GLU 105 N -1.21 0.46 -0.07 -0.78 2.02 -1.19 -0.15 118.70 117.78 1n7k s GLU 105 Ca 0.20 -0.25 0.01 0.00 0.02 0.00 0.00 54.97 54.95 1n7k s GLU 105 Cb 0.13 0.20 0.02 0.00 0.10 0.00 0.00 34.13 34.58 1n7k s GLU 105 CO 0.19 -0.11 -0.09 -0.51 0.02 0.00 0.00 175.26 174.77 1n7k s LEU 106 N -1.10 1.43 -0.69 1.80 1.43 0.12 -1.83 118.68 119.84 1n7k s LEU 106 Ca -0.12 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 1n7k s LEU 106 Cb -0.06 -0.71 0.18 0.00 0.03 0.00 0.00 46.19 45.63 1n7k s LEU 106 CO 0.02 -0.03 0.60 -1.81 0.23 0.00 0.00 176.35 175.36 1n7k s ASP 107 N 0.98 6.26 -0.01 2.29 1.11 -0.09 -0.45 116.67 126.76 1n7k s ASP 107 Ca -0.09 -2.43 -0.20 0.00 0.18 0.00 0.00 52.55 50.00 1n7k s ASP 107 Cb -0.15 -2.13 -0.05 0.00 1.07 0.00 0.00 42.92 41.66 1n7k s ASP 107 CO 0.00 -0.61 0.57 -0.69 1.18 0.00 0.00 175.17 175.62 1n7k s VAL 108 N 0.57 4.92 -0.39 -1.27 1.01 -0.01 -1.56 120.40 123.68 1n7k s VAL 108 Ca 0.13 1.20 -0.08 0.00 0.00 0.00 0.00 61.98 63.23 1n7k s VAL 108 Cb -0.18 -3.91 0.06 0.00 0.00 0.00 0.00 36.38 32.35 1n7k s VAL 108 CO -0.05 0.43 0.20 -0.69 0.00 0.00 0.00 175.10 175.00 1n7k s VAL 109 N -0.25 4.10 0.86 2.92 1.01 -0.61 -0.66 120.40 127.77 1n7k s VAL 109 Ca 0.30 -1.27 -0.12 0.00 0.00 0.00 0.00 61.98 60.89 1n7k s VAL 109 Cb -0.18 -3.44 0.14 0.00 0.00 0.00 0.00 36.38 32.91 1n7k s VAL 109 CO 0.17 -0.38 1.21 -2.16 0.00 0.00 0.00 175.10 173.93 1n7k s PRO 110 N 1.42 1.31 -1.28 2.72 0.04 -1.26 -4.42 135.00 133.53 1n7k s PRO 110 Ca 0.02 -0.33 -0.15 0.00 0.04 0.00 0.00 61.00 60.58 1n7k s PRO 110 Cb -0.21 -1.97 0.12 0.00 0.04 0.00 0.00 34.50 32.47 1n7k s PRO 110 CO 0.03 -1.93 1.69 1.58 0.04 0.00 0.00 177.00 178.40 1n7k n HIS 111 N -3.43 4.48 -0.18 0.56 -0.00 -1.14 -4.63 115.22 110.88 1n7k n HIS 111 Ca 0.12 -3.05 -0.01 0.00 0.46 0.00 0.00 57.72 55.24 1n7k n HIS 111 Cb 0.60 -2.38 0.07 0.00 -0.12 0.00 0.00 29.99 28.16 1n7k n HIS 111 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1n7k h LEU 112 N 10.66 -0.33 0.00 0.27 3.38 -1.90 -2.65 115.31 124.75 1n7k h LEU 112 Ca 0.41 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.52 1n7k h LEU 112 Cb 0.82 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1n7k h LEU 112 CO 1.44 -0.12 0.00 -1.54 0.09 0.00 0.00 178.44 178.31 1n7k n SER 113 N -5.30 0.00 -0.19 -0.43 3.41 -1.26 -1.66 113.62 108.20 1n7k n SER 113 Ca 0.06 -0.02 0.14 0.00 -0.26 0.00 0.00 58.87 58.79 1n7k n SER 113 Cb 0.30 -0.13 0.53 0.00 -0.26 0.00 0.00 64.21 64.65 1n7k n SER 113 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n7k n LEU 114 N -1.13 0.73 0.00 1.04 4.77 -1.00 -5.04 117.00 116.38 1n7k n LEU 114 Ca 0.04 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1n7k n LEU 114 Cb 0.03 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1n7k n LEU 114 CO 0.04 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 1n7k n GLY 115 N 1.29 2.39 0.28 -0.72 0.00 -0.66 -4.53 105.19 103.23 1n7k n GLY 115 Ca 0.14 -1.87 0.06 0.00 0.00 0.00 0.00 46.02 44.35 1n7k n GLY 115 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1n7k h PRO 116 N 0.00 0.35 -0.25 1.61 0.11 -1.90 -1.47 132.00 130.45 1n7k h PRO 116 Ca 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1n7k h PRO 116 Cb 0.00 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 1n7k h PRO 116 CO 0.00 0.23 0.11 1.49 -0.21 0.00 0.00 178.00 179.63 1n7k h GLU 117 N 0.36 0.37 -0.62 1.05 4.57 -1.93 -0.61 114.58 117.77 1n7k h GLU 117 Ca 0.43 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.54 1n7k h GLU 117 Cb 0.70 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.20 1n7k h GLU 117 CO -0.46 0.39 0.37 0.00 -1.18 0.00 0.00 179.01 178.12 1n7k h ALA 118 N 0.97 0.79 -0.97 2.92 0.00 -1.68 -1.77 119.26 119.52 1n7k h ALA 118 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1n7k h ALA 118 Cb 0.14 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1n7k h ALA 118 CO -0.01 0.28 0.62 0.28 0.00 0.00 0.00 179.25 180.41 1n7k h VAL 119 N 0.84 1.26 0.02 0.00 2.07 -1.05 0.04 116.25 119.43 1n7k h VAL 119 Ca 0.22 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1n7k h VAL 119 Cb -0.01 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 29.61 1n7k h VAL 119 CO -0.04 0.26 -0.03 0.22 0.02 0.00 0.00 177.57 177.99 1n7k h TYR 120 N 1.32 -0.09 -0.30 1.57 5.03 -0.44 0.61 116.97 124.67 1n7k h TYR 120 Ca 0.35 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.65 1n7k h TYR 120 Cb -0.11 0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.19 1n7k h TYR 120 CO 0.00 -0.05 0.14 0.00 -1.32 0.00 0.00 178.16 176.92 1n7k h ARG 121 N -0.07 0.44 -0.09 1.82 3.08 -0.94 -0.83 114.38 117.78 1n7k h ARG 121 Ca 0.01 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1n7k h ARG 121 Cb 0.08 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1n7k h ARG 121 CO -0.02 0.43 0.05 1.49 -1.07 0.00 0.00 179.97 180.85 1n7k h GLU 122 N 0.35 0.13 -0.27 0.04 4.81 -0.85 -2.37 114.58 116.43 1n7k h GLU 122 Ca 0.10 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 1n7k h GLU 122 Cb 0.14 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1n7k h GLU 122 CO -0.01 0.17 -0.24 0.28 -0.73 0.00 0.00 179.01 178.48 1n7k h VAL 123 N 0.06 1.26 -0.84 0.32 2.07 -0.86 -2.11 116.25 116.14 1n7k h VAL 123 Ca 0.03 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.35 1n7k h VAL 123 Cb 0.08 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1n7k h VAL 123 CO -0.01 0.40 0.55 0.28 0.02 0.00 0.00 177.57 178.82 1n7k h SER 124 N 0.45 0.86 0.39 0.57 0.02 -0.96 -0.25 113.55 114.62 1n7k h SER 124 Ca 0.07 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1n7k h SER 124 Cb 0.66 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1n7k h SER 124 CO 0.05 0.57 -0.19 1.23 -1.14 0.00 0.00 176.83 177.35 1n7k h GLY 125 N 0.98 -0.54 1.61 -3.77 0.00 -0.85 -1.84 103.07 98.67 1n7k h GLY 125 Ca 0.35 0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.79 1n7k h GLY 125 CO -0.12 -0.20 -0.27 0.16 0.00 0.00 0.00 176.54 176.12 1n7k h ILE 126 N -0.68 1.27 -0.93 2.60 -0.00 -1.24 -2.48 117.51 116.05 1n7k h ILE 126 Ca -0.05 -1.28 -0.00 0.00 -0.00 0.00 0.00 64.86 63.52 1n7k h ILE 126 Cb 0.49 1.38 -0.05 0.00 -0.00 0.00 0.00 36.82 38.64 1n7k h ILE 126 CO 0.09 0.40 0.57 0.58 -0.00 0.00 0.00 178.15 179.79 1n7k h VAL 127 N 0.40 1.25 -0.39 0.16 2.07 -1.03 0.33 116.25 119.03 1n7k h VAL 127 Ca 0.06 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1n7k h VAL 127 Cb 0.68 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1n7k h VAL 127 CO 0.05 0.26 0.25 0.50 0.02 0.00 0.00 177.57 178.65 1n7k h LYS 128 N 1.28 0.49 0.12 1.57 3.64 -0.89 0.85 116.57 123.63 1n7k h LYS 128 Ca 0.33 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 1n7k h LYS 128 Cb -0.07 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1n7k h LYS 128 CO -0.06 0.32 -0.06 1.25 -2.27 0.00 0.00 179.45 178.63 1n7k h LEU 129 N 0.50 -0.14 -0.96 5.20 5.85 -1.04 -3.01 115.31 121.72 1n7k h LEU 129 Ca 0.15 -0.13 0.12 0.00 0.84 0.00 0.00 57.88 58.85 1n7k h LEU 129 Cb -0.03 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 1n7k h LEU 129 CO -0.05 0.05 0.59 0.00 -0.34 0.00 0.00 178.44 178.69 1n7k h ALA 130 N 0.54 1.43 -0.83 1.25 0.00 -0.10 -1.99 119.26 119.55 1n7k h ALA 130 Ca -0.02 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1n7k h ALA 130 Cb 0.26 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1n7k h ALA 130 CO 0.03 0.18 0.54 0.87 0.00 0.00 0.00 179.25 180.87 1n7k h LYS 131 N 0.93 0.97 0.00 0.00 1.57 -0.70 -0.64 116.57 118.70 1n7k h LYS 131 Ca 0.47 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1n7k h LYS 131 Cb 0.47 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1n7k h LYS 131 CO -0.27 0.64 0.00 0.66 -0.57 0.00 0.00 179.45 179.92 1n7k h SER 132 N 1.00 0.00 -0.13 0.86 4.64 -1.28 0.03 113.55 118.67 1n7k h SER 132 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1n7k h SER 132 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1n7k h SER 132 CO -0.10 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.64 1n7k n TYR 133 N -2.78 0.15 -2.31 4.77 4.02 -0.35 -4.96 117.16 115.70 1n7k n TYR 133 Ca -0.02 -0.12 -0.16 0.00 -0.01 0.00 0.00 57.90 57.60 1n7k n TYR 133 Cb 0.10 -0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.41 1n7k n TYR 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n7k n GLY 134 N 0.87 -0.28 3.90 2.72 0.00 -0.00 -4.99 105.19 107.41 1n7k n GLY 134 Ca 0.11 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1n7k n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n7k s ALA 135 N -2.79 3.75 0.06 4.61 0.00 -0.61 -4.99 121.76 121.78 1n7k s ALA 135 Ca 0.00 -0.58 -0.11 0.00 0.00 0.00 0.00 51.96 51.27 1n7k s ALA 135 Cb -0.00 -2.17 -0.06 0.00 0.00 0.00 0.00 23.12 20.89 1n7k s ALA 135 CO 0.01 0.54 0.41 0.08 0.00 0.00 0.00 175.76 176.79 1n7k s VAL 136 N -1.78 5.07 -0.14 0.00 1.01 0.79 -4.38 120.40 120.96 1n7k s VAL 136 Ca 0.42 0.58 0.01 0.00 0.00 0.00 0.00 61.98 62.99 1n7k s VAL 136 Cb -0.12 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 1n7k s VAL 136 CO 0.26 0.38 -0.17 -0.69 0.00 0.00 0.00 175.10 174.87 1n7k s VAL 137 N -1.30 2.53 -0.19 2.92 1.01 -1.26 -0.70 120.40 123.40 1n7k s VAL 137 Ca 0.30 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 1n7k s VAL 137 Cb -0.15 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 1n7k s VAL 137 CO 0.16 0.53 -0.06 -0.54 0.00 0.00 0.00 175.10 175.20 1n7k s LYS 138 N 0.67 3.45 -0.29 2.72 1.02 0.41 -2.20 119.74 125.51 1n7k s LYS 138 Ca -0.09 -0.61 -0.13 0.00 0.02 0.00 0.00 55.97 55.17 1n7k s LYS 138 Cb -0.16 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 1n7k s LYS 138 CO 0.02 -0.01 0.27 0.08 -0.92 0.00 0.00 175.35 174.79 1n7k s VAL 139 N 0.98 5.25 -0.17 3.17 1.01 0.41 -0.83 120.40 130.23 1n7k s VAL 139 Ca -0.00 0.23 -0.29 0.00 0.00 0.00 0.00 61.98 61.92 1n7k s VAL 139 Cb -0.15 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 1n7k s VAL 139 CO 0.00 0.16 1.04 -0.63 0.00 0.00 0.00 175.10 175.67 1n7k s ILE 140 N 1.88 4.70 -1.52 2.22 1.09 0.16 0.54 121.20 130.26 1n7k s ILE 140 Ca 0.10 2.01 0.13 0.00 -1.10 0.00 0.00 60.65 61.78 1n7k s ILE 140 Cb -0.16 -4.29 0.08 0.00 -1.06 0.00 0.00 42.46 37.03 1n7k s ILE 140 CO 0.11 -0.09 0.87 0.18 -0.10 0.00 0.00 174.94 175.91 1n7k n LEU 141 N 5.69 1.95 -3.93 2.97 4.77 -0.12 -4.39 117.00 123.95 1n7k n LEU 141 Ca 0.11 -0.96 -0.29 0.00 -0.03 0.00 0.00 56.01 54.83 1n7k n LEU 141 Cb 0.47 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.55 1n7k n LEU 141 CO 0.52 0.36 -0.21 -0.62 -1.33 0.00 0.00 177.39 176.11 1n7k n GLU 142 N 0.57 -2.29 -0.32 3.23 -0.58 -1.13 -4.83 120.64 115.28 1n7k n GLU 142 Ca 0.07 0.36 0.20 0.00 -0.42 0.00 0.00 57.16 57.37 1n7k n GLU 142 Cb 0.31 -4.15 0.42 0.00 -0.57 0.00 0.00 31.44 27.44 1n7k n GLU 142 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n7k h ALA 143 N 0.91 1.75 0.00 0.62 0.00 -1.21 -1.02 119.26 120.30 1n7k h ALA 143 Ca -0.65 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1n7k h ALA 143 Cb 1.38 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1n7k h ALA 143 CO 0.59 -0.52 0.07 -1.35 0.00 0.00 0.00 179.25 178.03 1n7k h PRO 144 N 0.30 0.00 0.00 0.00 0.11 -1.88 -2.09 132.00 128.44 1n7k h PRO 144 Ca 0.68 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.76 1n7k h PRO 144 Cb 1.49 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.59 1n7k h PRO 144 CO -0.62 0.00 -0.39 -0.07 -0.21 0.00 0.00 178.00 176.72 1n7k h LEU 145 N 0.00 0.00 -9.23 2.35 3.38 -1.52 -3.47 115.31 106.82 1n7k h LEU 145 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 1n7k h LEU 145 Cb 0.14 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.74 1n7k h LEU 145 CO 0.00 0.13 -0.75 0.26 0.09 0.00 0.00 178.44 178.16 1n7k s TRP 146 N -3.18 2.46 0.90 1.13 0.52 -0.79 -5.13 118.94 114.86 1n7k s TRP 146 Ca 0.04 -0.29 -0.14 0.00 0.02 0.00 0.00 56.10 55.73 1n7k s TRP 146 Cb 0.07 -1.16 0.15 0.00 -1.15 0.00 0.00 33.47 31.37 1n7k s TRP 146 CO 0.72 0.57 1.25 0.16 0.02 0.00 0.00 176.95 179.66 1n7k s ASP 147 N -3.02 3.64 0.26 2.95 1.47 -1.26 -4.75 116.67 115.95 1n7k s ASP 147 Ca 0.25 0.52 -0.05 0.00 1.18 0.00 0.00 52.55 54.45 1n7k s ASP 147 Cb -0.07 -0.77 0.30 0.00 -0.34 0.00 0.00 42.92 42.04 1n7k s ASP 147 CO 0.14 -2.43 1.92 0.44 0.68 0.00 0.00 175.17 175.93 1n7k h ASP 148 N -1.43 1.12 -0.17 2.11 3.32 -1.98 -0.58 116.42 118.82 1n7k h ASP 148 Ca -0.45 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1n7k h ASP 148 Cb 1.28 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 1n7k h ASP 148 CO 0.50 0.80 0.11 0.50 -1.72 0.00 0.00 179.24 179.43 1n7k h LYS 149 N 1.32 0.22 -0.56 3.56 3.64 -1.99 -0.17 116.57 122.58 1n7k h LYS 149 Ca 0.38 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.64 1n7k h LYS 149 Cb -0.10 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1n7k h LYS 149 CO -0.09 0.15 -0.05 1.15 -2.27 0.00 0.00 179.45 178.34 1n7k h THR 150 N 0.22 1.27 -0.79 1.00 2.02 -1.86 -2.19 112.91 112.57 1n7k h THR 150 Ca 0.06 -1.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.01 1n7k h THR 150 Cb -0.02 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1n7k h THR 150 CO -0.01 0.43 0.33 0.25 0.37 0.00 0.00 175.52 176.89 1n7k h LEU 151 N 0.91 1.06 -0.95 2.58 5.85 -0.89 -1.62 115.31 122.25 1n7k h LEU 151 Ca 0.15 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1n7k h LEU 151 Cb 0.61 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1n7k h LEU 151 CO 0.04 0.93 0.49 -1.28 -0.34 0.00 0.00 178.44 178.28 1n7k h SER 152 N 1.13 1.09 -0.72 1.25 0.87 -0.79 0.15 113.55 116.53 1n7k h SER 152 Ca 0.27 -0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.68 1n7k h SER 152 Cb 0.18 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 1n7k h SER 152 CO -0.03 0.87 0.23 -0.07 -0.53 0.00 0.00 176.83 177.31 1n7k h LEU 153 N 1.23 1.05 -0.26 2.23 3.38 -0.76 0.30 115.31 122.49 1n7k h LEU 153 Ca 0.31 -0.19 -0.19 0.00 0.09 0.00 0.00 57.88 57.90 1n7k h LEU 153 Cb 0.01 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1n7k h LEU 153 CO -0.05 0.97 -0.58 -0.07 0.09 0.00 0.00 178.44 178.80 1n7k h LEU 154 N 1.08 0.96 -0.23 1.67 4.07 -0.67 -1.65 115.31 120.54 1n7k h LEU 154 Ca 0.24 -0.55 -0.01 0.00 0.08 0.00 0.00 57.88 57.64 1n7k h LEU 154 Cb 0.29 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1n7k h LEU 154 CO -0.01 1.34 0.10 0.58 -1.08 0.00 0.00 178.44 179.37 1n7k h VAL 155 N 0.63 1.15 -0.92 1.22 2.07 -0.51 -1.21 116.25 118.67 1n7k h VAL 155 Ca 0.00 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.09 1n7k h VAL 155 Cb 1.19 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 1n7k h VAL 155 CO 0.13 0.15 0.61 0.44 0.02 0.00 0.00 177.57 178.92 1n7k h ASP 156 N 0.24 1.05 -0.66 0.57 5.19 -0.89 -0.29 116.42 121.62 1n7k h ASP 156 Ca 0.08 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.40 1n7k h ASP 156 Cb 0.14 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.37 1n7k h ASP 156 CO -0.01 0.75 0.16 0.28 -3.12 0.00 0.00 179.24 177.31 1n7k h SER 157 N 1.24 1.00 -0.76 6.45 0.02 -1.08 0.37 113.55 120.79 1n7k h SER 157 Ca 0.34 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1n7k h SER 157 Cb -0.12 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.12 1n7k h SER 157 CO -0.08 0.97 0.39 0.28 -1.14 0.00 0.00 176.83 177.25 1n7k h SER 158 N 0.98 0.97 -0.01 3.07 0.02 -0.52 -0.73 113.55 117.34 1n7k h SER 158 Ca 0.21 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1n7k h SER 158 Cb 0.36 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 1n7k h SER 158 CO 0.00 0.81 0.00 -0.09 -1.14 0.00 0.00 176.83 176.42 1n7k h ARG 159 N 1.06 0.01 -0.64 3.45 9.65 -0.66 -2.07 114.38 125.19 1n7k h ARG 159 Ca 0.26 -0.00 0.08 0.00 -1.10 0.00 0.00 59.98 59.22 1n7k h ARG 159 Cb 0.08 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.62 1n7k h ARG 159 CO -0.04 0.27 0.42 0.00 2.80 0.00 0.00 179.97 183.42 1n7k h ARG 160 N -0.25 0.53 0.00 0.20 3.08 -0.72 -0.38 114.38 116.85 1n7k h ARG 160 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1n7k h ARG 160 Cb 0.26 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1n7k h ARG 160 CO 0.00 0.35 0.00 0.00 -1.07 0.00 0.00 179.97 179.25 1n7k n ALA 161 N -2.49 2.09 -0.49 0.04 0.00 -0.30 -4.90 120.51 114.46 1n7k n ALA 161 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1n7k n ALA 161 Cb 0.30 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1n7k n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n7k n GLY 162 N 0.79 0.74 3.77 0.00 0.00 -0.15 -4.40 105.19 105.93 1n7k n GLY 162 Ca 0.07 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1n7k n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n7k s ALA 163 N -2.00 2.65 -0.12 4.61 0.00 -0.79 -4.98 121.76 121.12 1n7k s ALA 163 Ca 0.00 0.81 -0.14 0.00 0.00 0.00 0.00 51.96 52.63 1n7k s ALA 163 Cb 0.00 -3.36 -0.26 0.00 0.00 0.00 0.00 23.12 19.50 1n7k s ALA 163 CO 0.00 -0.87 0.45 -0.44 0.00 0.00 0.00 175.76 174.90 1n7k h ASP 164 N 1.03 0.34 -4.18 0.00 3.32 -1.82 -3.44 116.42 111.68 1n7k h ASP 164 Ca -0.50 -0.83 -0.41 0.00 0.02 0.00 0.00 57.03 55.31 1n7k h ASP 164 Cb 1.26 -0.11 -0.19 0.00 0.22 0.00 0.00 39.33 40.51 1n7k h ASP 164 CO 0.56 1.68 -0.76 -0.63 -1.72 0.00 0.00 179.24 178.38 1n7k s ILE 165 N -2.49 1.25 -0.04 0.35 1.01 -0.94 -1.41 121.20 118.94 1n7k s ILE 165 Ca -0.22 -1.62 0.07 0.00 0.00 0.00 0.00 60.65 58.88 1n7k s ILE 165 Cb 0.05 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 1n7k s ILE 165 CO 0.74 -0.39 -0.24 -0.69 0.00 0.00 0.00 174.94 174.36 1n7k s VAL 166 N -1.99 2.18 -0.07 2.92 1.01 -0.78 -0.45 120.40 123.23 1n7k s VAL 166 Ca 0.06 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1n7k s VAL 166 Cb -0.06 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1n7k s VAL 166 CO 0.03 0.58 -0.10 -0.75 0.00 0.00 0.00 175.10 174.85 1n7k s LYS 167 N -0.48 2.73 0.32 2.72 2.20 0.19 -1.50 119.74 125.91 1n7k s LYS 167 Ca 0.06 -0.62 0.06 0.00 -0.36 0.00 0.00 55.97 55.12 1n7k s LYS 167 Cb -0.11 -2.52 0.53 0.00 -1.51 0.00 0.00 37.83 34.23 1n7k s LYS 167 CO 0.01 0.60 1.77 0.00 -0.36 0.00 0.00 175.35 177.36 1n7k h THR 168 N 4.41 1.26 -2.59 3.43 1.03 -1.54 -0.29 112.91 118.62 1n7k h THR 168 Ca -0.45 -1.26 0.11 0.00 -0.01 0.00 0.00 66.41 64.80 1n7k h THR 168 Cb 1.17 1.47 -0.09 0.00 -1.07 0.00 0.00 68.15 69.63 1n7k h THR 168 CO 0.52 0.38 0.38 -0.55 -0.01 0.00 0.00 175.52 176.25 1n7k s SER 169 N -6.86 -0.30 0.22 0.00 0.15 -1.26 -0.72 113.70 104.93 1n7k s SER 169 Ca -0.05 -0.30 0.22 0.00 0.70 0.00 0.00 55.95 56.51 1n7k s SER 169 Cb 0.14 0.54 0.03 0.00 -1.71 0.00 0.00 66.02 65.02 1n7k s SER 169 CO 0.76 -0.96 1.09 0.71 1.20 0.00 0.00 173.24 176.05 1n7k h THR 170 N 2.00 0.06 0.00 6.45 1.35 -1.88 -3.44 112.91 117.44 1n7k h THR 170 Ca -0.24 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 1n7k h THR 170 Cb 1.25 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1n7k h THR 170 CO 0.28 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 1n7k n GLY 171 N 1.19 1.18 0.46 5.82 0.00 -1.03 -4.85 105.19 107.96 1n7k n GLY 171 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1n7k n GLY 171 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1n7k n VAL 172 N -2.00 0.95 0.52 1.61 0.31 -1.26 -4.72 118.33 113.74 1n7k n VAL 172 Ca 0.00 0.26 0.13 0.00 -0.01 0.00 0.00 64.34 64.72 1n7k n VAL 172 Cb 0.00 -1.80 0.29 0.00 -0.91 0.00 0.00 33.84 31.42 1n7k n VAL 172 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1n7k h TYR 173 N -0.40 0.00 -3.77 3.52 0.05 -1.92 -3.46 116.97 110.99 1n7k h TYR 173 Ca 0.00 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.63 1n7k h TYR 173 Cb 0.40 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.07 1n7k h TYR 173 CO -0.17 0.00 -0.09 0.95 -1.05 0.00 0.00 178.16 177.80 1n7k s THR 174 N -3.15 0.00 -0.07 -2.88 -4.23 -1.26 -5.05 115.64 99.00 1n7k s THR 174 Ca 0.09 -1.43 -0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1n7k s THR 174 Cb 0.11 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 71.46 1n7k s THR 174 CO 0.65 0.00 -0.03 -0.54 -0.54 0.00 0.00 174.62 174.16 1n7k s LYS 175 N -3.30 0.87 -0.23 3.99 1.02 -1.26 -2.47 119.74 118.35 1n7k s LYS 175 Ca 0.25 -0.02 0.13 0.00 0.02 0.00 0.00 55.97 56.35 1n7k s LYS 175 Cb -0.01 -1.08 0.46 0.00 -0.52 0.00 0.00 37.83 36.68 1n7k s LYS 175 CO 0.15 -0.24 1.18 0.41 -0.92 0.00 0.00 175.35 175.93 1n7k n GLY 176 N 4.84 4.57 0.11 -3.33 0.00 -0.27 -4.75 105.19 106.36 1n7k n GLY 176 Ca -0.12 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.22 1n7k n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n7k n GLY 177 N -0.66 -0.95 3.79 -0.02 0.00 -0.73 -3.72 105.19 102.90 1n7k n GLY 177 Ca 0.26 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1n7k n GLY 177 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1n7k s ASP 178 N -2.81 6.62 0.28 1.61 1.47 -1.26 -4.59 116.67 117.99 1n7k s ASP 178 Ca 0.15 1.94 0.03 0.00 1.18 0.00 0.00 52.55 55.86 1n7k s ASP 178 Cb 0.18 -2.57 0.67 0.00 -0.34 0.00 0.00 42.92 40.86 1n7k s ASP 178 CO 0.65 -0.59 1.74 -0.65 0.68 0.00 0.00 175.17 177.01 1n7k h PRO 179 N 2.05 0.55 0.26 2.11 0.11 -1.92 -0.58 132.00 134.59 1n7k h PRO 179 Ca -0.49 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1n7k h PRO 179 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1n7k h PRO 179 CO 0.61 0.36 -0.13 0.28 -0.21 0.00 0.00 178.00 178.91 1n7k h VAL 180 N 0.56 0.78 -0.49 3.15 2.07 -1.96 0.38 116.25 120.75 1n7k h VAL 180 Ca 0.53 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.76 1n7k h VAL 180 Cb 0.89 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 1n7k h VAL 180 CO -0.43 0.07 0.31 0.74 0.02 0.00 0.00 177.57 178.27 1n7k h THR 181 N -0.52 1.09 -0.57 2.57 2.02 -1.79 -0.42 112.91 115.30 1n7k h THR 181 Ca -0.04 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 66.95 1n7k h THR 181 Cb 0.38 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 1n7k h THR 181 CO 0.06 0.11 0.35 0.58 0.37 0.00 0.00 175.52 176.99 1n7k h VAL 182 N 0.62 1.07 -0.57 3.16 2.07 -1.01 -2.33 116.25 119.26 1n7k h VAL 182 Ca 0.19 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 1n7k h VAL 182 Cb -0.03 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1n7k h VAL 182 CO -0.06 0.13 0.01 0.15 0.02 0.00 0.00 177.57 177.81 1n7k h PHE 183 N 0.69 1.10 -0.77 1.57 3.57 -0.55 0.50 116.94 123.05 1n7k h PHE 183 Ca 0.23 -0.19 0.11 0.00 3.53 0.00 0.00 57.97 61.64 1n7k h PHE 183 Cb 0.01 -0.29 -0.08 0.00 2.79 0.00 0.00 35.95 38.38 1n7k h PHE 183 CO -0.06 0.98 0.40 0.00 -2.23 0.00 0.00 178.31 177.40 1n7k h ARG 184 N 0.90 0.63 0.04 1.11 3.08 -0.65 0.25 114.38 119.74 1n7k h ARG 184 Ca 0.16 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 1n7k h ARG 184 Cb 0.54 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1n7k h ARG 184 CO 0.03 0.41 -0.02 1.25 -1.07 0.00 0.00 179.97 180.57 1n7k h LEU 185 N 0.65 -0.05 -0.83 3.04 5.85 -1.21 -3.31 115.31 119.44 1n7k h LEU 185 Ca 0.39 -0.60 0.07 0.00 0.84 0.00 0.00 57.88 58.57 1n7k h LEU 185 Cb 0.44 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 1n7k h LEU 185 CO -0.29 0.62 0.50 0.00 -0.34 0.00 0.00 178.44 178.93 1n7k h ALA 186 N 0.10 1.14 -0.14 1.25 0.00 -0.57 0.08 119.26 121.13 1n7k h ALA 186 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1n7k h ALA 186 Cb 0.65 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1n7k h ALA 186 CO 0.01 0.22 0.14 0.66 0.00 0.00 0.00 179.25 180.28 1n7k h SER 187 N 0.91 0.00 0.06 0.00 4.64 -0.62 -1.47 113.55 117.07 1n7k h SER 187 Ca 0.37 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.32 1n7k h SER 187 Cb 0.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.25 1n7k h SER 187 CO -0.18 0.00 -2.11 0.18 -0.87 0.00 0.00 176.83 173.84 1n7k n LEU 188 N -3.90 2.58 0.03 5.97 4.77 -0.48 -4.55 117.00 121.43 1n7k n LEU 188 Ca 0.00 0.14 -0.19 0.00 -0.03 0.00 0.00 56.01 55.93 1n7k n LEU 188 Cb 0.25 -1.01 -0.12 0.00 -2.33 0.00 0.00 43.42 40.22 1n7k n LEU 188 CO 0.28 0.78 0.16 0.00 -1.33 0.00 0.00 177.39 177.28 1n7k h ALA 189 N -0.13 0.03 -0.53 -1.18 0.00 -0.78 -3.37 119.26 113.31 1n7k h ALA 189 Ca -0.49 -0.63 0.05 0.00 0.00 0.00 0.00 54.91 53.83 1n7k h ALA 189 Cb 1.86 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.66 1n7k h ALA 189 CO -0.06 0.42 0.27 0.87 0.00 0.00 0.00 179.25 180.75 1n7k h LYS 190 N -0.08 0.51 0.00 0.00 1.57 -1.40 -0.43 116.57 116.74 1n7k h LYS 190 Ca -0.11 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1n7k h LYS 190 Cb 1.49 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1n7k h LYS 190 CO 0.15 0.33 0.13 -1.35 -0.57 0.00 0.00 179.45 178.14 1n7k h PRO 191 N 0.52 0.00 -0.48 3.15 0.11 -1.78 0.28 132.00 133.80 1n7k h PRO 191 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1n7k h PRO 191 Cb 0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 1n7k h PRO 191 CO -0.16 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.91 1n7k n LEU 192 N -2.63 3.59 -0.03 2.35 4.77 -0.20 -4.96 117.00 119.89 1n7k n LEU 192 Ca -0.02 -1.61 -0.00 0.00 -0.03 0.00 0.00 56.01 54.34 1n7k n LEU 192 Cb 0.17 -0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1n7k n LEU 192 CO 0.13 0.81 -0.00 0.61 -1.33 0.00 0.00 177.39 177.60 1n7k n GLY 193 N 1.55 0.45 3.89 -0.72 0.00 0.98 -5.03 105.19 106.31 1n7k n GLY 193 Ca 0.21 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1n7k n GLY 193 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1n7k s MET 194 N -0.58 3.67 0.76 1.61 -1.94 -1.01 -5.01 119.30 116.80 1n7k s MET 194 Ca 0.00 0.02 -0.12 0.00 -1.71 0.00 0.00 55.69 53.89 1n7k s MET 194 Cb 0.00 -2.89 0.05 0.00 2.01 0.00 0.00 34.83 33.99 1n7k s MET 194 CO 0.00 0.50 1.11 0.20 -0.01 0.00 0.00 175.02 176.82 1n7k s GLY 195 N -2.16 1.62 -0.05 -0.03 0.00 -0.50 -3.96 107.32 102.24 1n7k s GLY 195 Ca 0.38 -0.36 0.02 0.00 0.00 0.00 0.00 44.72 44.76 1n7k s GLY 195 CO 0.22 0.06 -0.09 0.14 0.00 0.00 0.00 173.10 173.42 1n7k s VAL 196 N -3.33 0.91 -0.13 1.40 1.01 -1.26 -1.86 120.40 117.14 1n7k s VAL 196 Ca 0.60 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1n7k s VAL 196 Cb -0.12 -0.86 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 1n7k s VAL 196 CO 0.52 0.30 -0.20 -0.75 0.00 0.00 0.00 175.10 174.97 1n7k s LYS 197 N 0.70 3.13 -0.13 2.72 2.20 -0.56 0.07 119.74 127.87 1n7k s LYS 197 Ca -0.13 -0.82 -0.06 0.00 -0.36 0.00 0.00 55.97 54.60 1n7k s LYS 197 Cb -0.15 -2.45 -0.04 0.00 -1.51 0.00 0.00 37.83 33.68 1n7k s LYS 197 CO 0.02 0.10 0.09 0.00 -0.36 0.00 0.00 175.35 175.21 1n7k s ALA 198 N 0.56 3.62 0.04 3.13 0.00 -0.35 -1.44 121.76 127.32 1n7k s ALA 198 Ca -0.12 -0.71 -0.16 0.00 0.00 0.00 0.00 51.96 50.97 1n7k s ALA 198 Cb -0.17 -1.87 0.03 0.00 0.00 0.00 0.00 23.12 21.12 1n7k s ALA 198 CO 0.04 0.47 0.37 -1.12 0.00 0.00 0.00 175.76 175.52 1n7k s SER 199 N -0.55 -0.22 0.00 0.00 0.01 -1.24 0.05 113.70 111.74 1n7k s SER 199 Ca 0.11 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1n7k s SER 199 Cb -0.12 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.50 1n7k s SER 199 CO 0.02 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.65 1n7k n GLY 200 N 0.59 1.11 2.04 3.44 0.00 -1.26 -1.11 105.19 110.00 1n7k n GLY 200 Ca -0.19 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1n7k n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n7k n GLY 201 N 0.48 0.51 3.55 -0.02 0.00 -1.26 -1.89 105.19 106.55 1n7k n GLY 201 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1n7k n GLY 201 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n7k s ILE 202 N -2.04 3.61 -0.03 -0.61 -1.09 -1.26 -4.74 121.20 115.04 1n7k s ILE 202 Ca 0.00 0.36 0.07 0.00 -2.23 0.00 0.00 60.65 58.85 1n7k s ILE 202 Cb 0.00 -4.59 -0.10 0.00 -1.58 0.00 0.00 42.46 36.19 1n7k s ILE 202 CO 0.00 -1.53 0.10 0.54 -1.23 0.00 0.00 174.94 172.82 1n7k n ARG 203 N 9.28 1.36 -4.36 2.79 5.12 -1.26 -4.54 116.66 125.05 1n7k n ARG 203 Ca 0.09 -0.04 -0.23 0.00 -1.93 0.00 0.00 57.85 55.73 1n7k n ARG 203 Cb 0.50 -1.17 -0.08 0.00 -1.16 0.00 0.00 32.46 30.54 1n7k n ARG 203 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1n7k s SER 204 N -3.27 4.20 0.29 0.55 0.01 -1.26 -3.91 113.70 110.32 1n7k s SER 204 Ca -0.03 -0.77 -0.02 0.00 1.31 0.00 0.00 55.95 56.44 1n7k s SER 204 Cb 0.04 -0.65 0.43 0.00 0.21 0.00 0.00 66.02 66.04 1n7k s SER 204 CO 0.29 0.02 1.92 1.23 0.41 0.00 0.00 173.24 177.11 1n7k h GLY 205 N 2.07 1.08 1.05 3.44 0.00 -1.72 -1.37 103.07 107.62 1n7k h GLY 205 Ca -0.43 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.38 1n7k h GLY 205 CO 0.60 0.45 0.25 0.16 0.00 0.00 0.00 176.54 178.00 1n7k h ILE 206 N 1.02 1.26 -0.59 2.60 3.07 -1.87 -0.92 117.51 122.08 1n7k h ILE 206 Ca 0.26 -0.88 0.05 0.00 1.55 0.00 0.00 64.86 65.84 1n7k h ILE 206 Cb 0.01 0.43 -0.05 0.00 -0.27 0.00 0.00 36.82 36.95 1n7k h ILE 206 CO -0.04 0.35 0.31 0.44 -1.05 0.00 0.00 178.15 178.16 1n7k h ASP 207 N 1.09 0.45 -0.04 2.16 3.32 -1.68 -1.05 116.42 120.68 1n7k h ASP 207 Ca 0.24 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1n7k h ASP 207 Cb 0.28 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1n7k h ASP 207 CO -0.01 0.30 0.02 0.00 -1.72 0.00 0.00 179.24 177.83 1n7k h ALA 208 N 1.32 0.04 -0.81 3.45 0.00 -0.74 -1.52 119.26 121.00 1n7k h ALA 208 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1n7k h ALA 208 Cb 0.17 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1n7k h ALA 208 CO -0.17 -0.47 0.43 0.28 0.00 0.00 0.00 179.25 179.32 1n7k h VAL 209 N 0.04 1.24 -0.53 0.00 2.07 -0.86 -1.70 116.25 116.51 1n7k h VAL 209 Ca 0.01 -0.62 -0.11 0.00 0.82 0.00 0.00 66.70 66.81 1n7k h VAL 209 Cb 0.00 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 1n7k h VAL 209 CO -0.01 0.27 -0.10 -0.07 0.02 0.00 0.00 177.57 177.68 1n7k h LEU 210 N 1.14 0.98 -0.55 2.57 3.38 -1.01 -0.61 115.31 121.20 1n7k h LEU 210 Ca 0.28 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1n7k h LEU 210 Cb 0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1n7k h LEU 210 CO -0.04 1.09 -0.05 0.00 0.09 0.00 0.00 178.44 179.52 1n7k h ALA 211 N 1.00 0.74 -0.52 1.53 0.00 -0.96 -1.55 119.26 119.50 1n7k h ALA 211 Ca 0.14 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1n7k h ALA 211 Cb 0.65 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1n7k h ALA 211 CO 0.05 0.61 -0.16 0.28 0.00 0.00 0.00 179.25 180.03 1n7k h VAL 212 N 0.88 1.27 -0.17 0.00 2.07 -1.20 -1.36 116.25 117.74 1n7k h VAL 212 Ca 0.15 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 1n7k h VAL 212 Cb 0.61 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1n7k h VAL 212 CO 0.04 0.46 0.01 1.23 0.02 0.00 0.00 177.57 179.33 1n7k h GLY 213 N 0.89 0.25 1.32 2.17 0.00 -0.88 -1.45 103.07 105.36 1n7k h GLY 213 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1n7k h GLY 213 CO 0.06 0.11 -0.01 0.00 0.00 0.00 0.00 176.54 176.70 1n7k n ALA 214 N -2.50 2.57 0.00 3.60 0.00 -0.60 -4.56 120.51 119.02 1n7k n ALA 214 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1n7k n ALA 214 Cb 0.16 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1n7k n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n7k n GLY 215 N 1.20 1.03 3.71 0.00 0.00 -0.55 -3.68 105.19 106.90 1n7k n GLY 215 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1n7k n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n7k s ALA 216 N -1.98 3.29 -0.08 4.61 0.00 -0.55 -4.63 121.76 122.43 1n7k s ALA 216 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1n7k s ALA 216 Cb 0.00 -3.39 -0.25 0.00 0.00 0.00 0.00 23.12 19.48 1n7k s ALA 216 CO 0.00 -0.32 0.53 -0.44 0.00 0.00 0.00 175.76 175.53 1n7k h ASP 217 N 6.63 0.27 -4.35 0.00 5.19 -0.70 -3.39 116.42 120.08 1n7k h ASP 217 Ca -0.42 -0.57 -0.62 0.00 -0.62 0.00 0.00 57.03 54.80 1n7k h ASP 217 Cb 1.22 -0.09 -0.27 0.00 0.18 0.00 0.00 39.33 40.37 1n7k h ASP 217 CO 0.78 1.51 -0.86 -0.63 -3.12 0.00 0.00 179.24 176.92 1n7k s ILE 218 N -2.58 1.80 -0.21 0.35 -1.09 -0.73 -4.81 121.20 113.93 1n7k s ILE 218 Ca -0.15 -1.16 -0.03 0.00 -2.23 0.00 0.00 60.65 57.09 1n7k s ILE 218 Cb 0.07 -1.54 -0.00 0.00 -1.58 0.00 0.00 42.46 39.41 1n7k s ILE 218 CO 0.80 0.34 -0.08 -0.63 -1.23 0.00 0.00 174.94 174.14 1n7k s ILE 219 N -0.71 3.07 -0.19 2.92 1.01 0.11 -1.21 121.20 126.21 1n7k s ILE 219 Ca 0.09 -0.61 -0.10 0.00 0.00 0.00 0.00 60.65 60.02 1n7k s ILE 219 Cb -0.09 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 1n7k s ILE 219 CO 0.01 0.44 0.16 -0.83 0.00 0.00 0.00 174.94 174.71 1n7k s GLY 220 N 1.43 2.08 -0.19 6.18 0.00 0.11 0.21 107.32 117.15 1n7k s GLY 220 Ca 0.05 -0.65 -0.27 0.00 0.00 0.00 0.00 44.72 43.85 1n7k s GLY 220 CO -0.05 0.14 0.74 -1.08 0.00 0.00 0.00 173.10 172.85 1n7k s THR 221 N 0.24 0.00 -2.12 0.90 -1.32 -1.11 -4.21 115.64 108.02 1n7k s THR 221 Ca 0.10 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 60.86 1n7k s THR 221 Cb -0.11 -1.00 0.51 0.00 -1.51 0.00 0.00 72.50 70.38 1n7k s THR 221 CO -0.00 0.00 1.77 -0.24 -2.21 0.00 0.00 174.62 173.94 1n7k n SER 222 N 1.91 1.05 -2.30 8.08 2.88 -1.26 -0.74 113.62 123.24 1n7k n SER 222 Ca -0.16 -1.14 -0.20 0.00 -1.33 0.00 0.00 58.87 56.04 1n7k n SER 222 Cb 0.56 0.02 0.02 0.00 -0.75 0.00 0.00 64.21 64.06 1n7k n SER 222 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1n7k n SER 223 N -0.34 4.17 -0.18 -3.46 7.64 -1.26 -4.83 113.62 115.35 1n7k n SER 223 Ca 0.17 -3.43 -0.05 0.00 1.01 0.00 0.00 58.87 56.57 1n7k n SER 223 Cb 0.31 -0.40 0.01 0.00 -1.01 0.00 0.00 64.21 63.12 1n7k n SER 223 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n7k h ALA 224 N 2.40 0.01 -0.47 -0.43 0.00 -1.91 0.44 119.26 119.30 1n7k h ALA 224 Ca 0.25 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.34 1n7k h ALA 224 Cb 1.31 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 19.78 1n7k h ALA 224 CO 0.69 -0.64 0.29 0.28 0.00 0.00 0.00 179.25 179.87 1n7k h VAL 225 N -0.15 1.07 -0.44 0.00 2.07 -1.94 -1.66 116.25 115.19 1n7k h VAL 225 Ca 0.23 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 1n7k h VAL 225 Cb 0.53 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1n7k h VAL 225 CO -0.64 0.11 -0.08 0.11 0.02 0.00 0.00 177.57 177.09 1n7k h LYS 226 N 0.58 0.77 -0.56 1.57 1.57 -1.69 -0.85 116.57 117.97 1n7k h LYS 226 Ca 0.19 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1n7k h LYS 226 Cb -0.00 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1n7k h LYS 226 CO -0.08 0.83 0.27 0.28 -0.57 0.00 0.00 179.45 180.19 1n7k h VAL 227 N 0.71 1.21 0.17 0.50 2.07 -0.65 0.26 116.25 120.52 1n7k h VAL 227 Ca 0.13 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1n7k h VAL 227 Cb 0.55 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1n7k h VAL 227 CO 0.03 0.23 -0.08 0.25 0.02 0.00 0.00 177.57 178.02 1n7k h LEU 228 N 0.76 -0.19 -1.28 2.57 7.12 -1.04 -0.24 115.31 123.00 1n7k h LEU 228 Ca 0.19 -0.22 -0.01 0.00 0.13 0.00 0.00 57.88 57.98 1n7k h LEU 228 Cb 0.12 0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.27 1n7k h LEU 228 CO -0.02 0.12 0.33 -0.33 -0.13 0.00 0.00 178.44 178.40 1n7k h GLU 229 N -0.52 0.82 0.00 1.25 4.39 -1.08 -0.47 114.58 118.97 1n7k h GLU 229 Ca -0.02 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.53 1n7k h GLU 229 Cb 0.40 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1n7k h GLU 229 CO 0.04 0.60 -0.30 1.03 -1.16 0.00 0.00 179.01 179.21 1n7k h SER 230 N 0.83 0.00 -0.21 1.42 0.87 -0.34 -0.13 113.55 115.99 1n7k h SER 230 Ca 0.21 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.69 1n7k h SER 230 Cb 0.02 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1n7k h SER 230 CO -0.04 0.30 -0.20 0.15 -0.53 0.00 0.00 176.83 176.52 1n7k h PHE 231 N 0.00 0.61 -0.30 2.24 3.57 0.60 -3.26 116.94 120.39 1n7k h PHE 231 Ca -0.00 -0.18 -0.16 0.00 3.53 0.00 0.00 57.97 61.16 1n7k h PHE 231 Cb 0.62 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 1n7k h PHE 231 CO 0.00 0.85 -0.42 0.87 -2.23 0.00 0.00 178.31 177.38 1n7k h LYS 232 N 0.19 0.82 -3.28 1.11 1.57 -0.93 -3.44 116.57 112.61 1n7k h LYS 232 Ca 0.03 -0.48 -0.33 0.00 -1.87 0.00 0.00 60.65 58.01 1n7k h LYS 232 Cb 0.74 0.04 -0.37 0.00 0.08 0.00 0.00 32.23 32.72 1n7k h LYS 232 CO 0.05 1.11 -0.70 0.45 -0.57 0.00 0.00 179.45 179.79 1n7k s SER 233 N -6.77 0.77 0.25 0.86 0.15 -0.10 -5.04 113.70 103.82 1n7k s SER 233 Ca -0.11 0.16 -0.03 0.00 0.70 0.00 0.00 55.95 56.66 1n7k s SER 233 Cb 0.10 0.01 0.46 0.00 -1.71 0.00 0.00 66.02 64.87 1n7k s SER 233 CO 0.87 -0.22 1.78 0.25 1.20 0.00 0.00 173.24 177.11 1n7k h LEU 234 N 8.15 0.55 -0.61 3.45 5.85 -1.83 -3.36 115.31 127.50 1n7k h LEU 234 Ca -0.20 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1n7k h LEU 234 Cb 1.12 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1n7k h LEU 234 CO 0.22 0.27 0.00 1.33 -0.34 0.00 0.00 178.44 179.92