#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h1o s ILE 2 N 0.00 0.63 -0.20 2.02 1.01 -0.52 -1.73 121.20 122.41 2h1o s ILE 2 Ca 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.46 2h1o s ILE 2 Cb 0.00 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.79 2h1o s ILE 2 CO 0.00 0.26 -0.01 -0.22 0.00 0.00 0.00 174.94 174.97 2h1o s LEU 3 N 1.11 3.18 -0.33 2.97 2.96 -0.85 0.10 118.68 127.83 2h1o s LEU 3 Ca -0.08 -0.24 -0.22 0.00 -0.22 0.00 0.00 54.13 53.38 2h1o s LEU 3 Cb -0.14 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.75 2h1o s LEU 3 CO -0.01 0.05 0.72 -0.76 -1.32 0.00 0.00 176.35 175.04 2h1o s LEU 4 N 1.05 4.14 0.81 -0.68 1.43 -1.05 -0.80 118.68 123.58 2h1o s LEU 4 Ca 0.02 0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 53.45 2h1o s LEU 4 Cb -0.14 -2.95 0.09 0.00 0.03 0.00 0.00 46.19 43.21 2h1o s LEU 4 CO 0.01 -0.60 1.16 -0.62 0.23 0.00 0.00 176.35 176.53 2h1o s ASP 5 N 1.70 3.73 0.24 2.29 2.15 -0.11 -4.73 116.67 121.94 2h1o s ASP 5 Ca 0.29 2.18 -0.06 0.00 0.43 0.00 0.00 52.55 55.39 2h1o s ASP 5 Cb -0.14 -2.57 0.43 0.00 -0.30 0.00 0.00 42.92 40.35 2h1o s ASP 5 CO 0.14 -2.56 1.69 0.74 -0.17 0.00 0.00 175.17 175.01 2h1o h THR 6 N -1.10 0.55 -0.41 1.71 2.02 -1.93 -2.14 112.91 111.60 2h1o h THR 6 Ca -0.45 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 2h1o h THR 6 Cb 1.27 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2h1o h THR 6 CO 0.47 0.05 0.12 -0.55 0.37 0.00 0.00 175.52 175.98 2h1o h ASN 7 N 0.28 0.55 0.15 4.18 7.08 -1.91 -2.71 115.58 123.21 2h1o h ASN 7 Ca 0.40 -0.07 -0.01 0.00 -3.08 0.00 0.00 56.30 53.54 2h1o h ASN 7 Cb 0.66 -0.14 0.00 0.00 -2.08 0.00 0.00 38.32 36.76 2h1o h ASN 7 CO -0.48 0.54 -0.07 0.58 -2.08 0.00 0.00 177.43 175.92 2h1o h VAL 8 N 0.60 0.96 0.00 6.14 2.07 -1.66 -2.68 116.25 121.68 2h1o h VAL 8 Ca 0.14 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.59 2h1o h VAL 8 Cb 0.20 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2h1o h VAL 8 CO -0.01 0.23 0.02 0.00 0.02 0.00 0.00 177.57 177.83 2h1o n ILE 9 N -4.94 1.01 0.52 4.57 0.00 -1.07 -1.81 119.36 117.64 2h1o n ILE 9 Ca -0.08 0.74 0.06 0.00 0.00 0.00 0.00 62.75 63.47 2h1o n ILE 9 Cb 0.27 -1.74 0.01 0.00 0.00 0.00 0.00 39.64 38.18 2h1o n ILE 9 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2h1o n SER 10 N -2.24 1.52 0.09 9.51 3.41 -1.03 -4.65 113.62 120.23 2h1o n SER 10 Ca -0.01 -1.26 -0.13 0.00 -0.26 0.00 0.00 58.87 57.21 2h1o n SER 10 Cb 0.05 0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 64.27 2h1o n SER 10 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2h1o h GLU 11 N 1.61 -0.15 -0.74 4.33 4.57 -1.00 -2.75 114.58 120.45 2h1o h GLU 11 Ca 0.00 0.01 0.21 0.00 -1.18 0.00 0.00 59.36 58.40 2h1o h GLU 11 Cb 0.43 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 2h1o h GLU 11 CO 0.00 -0.09 0.69 -1.35 -1.18 0.00 0.00 179.01 177.09 2h1o h PRO 12 N -0.17 0.00 0.00 0.92 0.11 -1.83 0.32 132.00 131.35 2h1o h PRO 12 Ca -0.02 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 2h1o h PRO 12 Cb 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 2h1o h PRO 12 CO 0.03 0.00 -0.54 -0.07 -0.21 0.00 0.00 178.00 177.20 2h1o h LEU 13 N 0.00 0.00-10.02 2.35 3.38 -1.80 -3.44 115.31 105.78 2h1o h LEU 13 Ca 0.35 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.78 2h1o h LEU 13 Cb 1.73 0.00 0.19 0.00 0.09 0.00 0.00 40.66 42.67 2h1o h LEU 13 CO -0.00 0.36 0.06 0.54 0.09 0.00 0.00 178.44 179.49 2h1o n ARG 14 N -3.11 0.19 -0.08 1.13 1.74 0.11 -4.92 116.66 111.71 2h1o n ARG 14 Ca 0.01 0.13 -0.04 0.00 -0.77 0.00 0.00 57.85 57.18 2h1o n ARG 14 Cb 0.69 -2.23 -0.03 0.00 -1.02 0.00 0.00 32.46 29.87 2h1o n ARG 14 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2h1o h PRO 15 N -0.81 -0.05 -2.69 5.56 0.11 -1.90 -3.07 132.00 129.15 2h1o h PRO 15 Ca -0.46 0.00 -0.74 0.00 0.11 0.00 0.00 66.00 64.92 2h1o h PRO 15 Cb 1.31 0.01 -0.33 0.00 0.11 0.00 0.00 31.00 32.10 2h1o h PRO 15 CO 0.44 -0.04 0.32 0.00 -0.21 0.00 0.00 178.00 178.51 2h1o n GLN 16 N -3.58 3.81 -1.60 1.05 -0.00 -1.26 -5.05 117.38 110.75 2h1o n GLN 16 Ca -0.00 -4.60 -0.48 0.00 -0.00 0.00 0.00 57.00 51.93 2h1o n GLN 16 Cb 0.09 -2.43 -0.04 0.00 -0.00 0.00 0.00 30.24 27.87 2h1o n GLN 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 2h1o n PRO 17 N 1.18 1.36 -2.18 2.61 -0.04 -1.16 -4.88 135.00 131.90 2h1o n PRO 17 Ca 0.27 0.48 -0.43 0.00 -0.04 0.00 0.00 63.50 63.79 2h1o n PRO 17 Cb 0.36 -2.00 -0.02 0.00 -0.04 0.00 0.00 33.50 31.79 2h1o n PRO 17 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2h1o s ASN 18 N 0.01 6.64 0.52 3.54 3.84 -1.26 -4.92 114.94 123.31 2h1o s ASN 18 Ca 0.71 1.81 0.21 0.00 0.21 0.00 0.00 52.86 55.80 2h1o s ASN 18 Cb -0.80 -2.53 1.37 0.00 -0.55 0.00 0.00 41.25 38.74 2h1o s ASN 18 CO 0.52 -1.01 2.13 -0.33 -2.79 0.00 0.00 177.10 175.62 2h1o h GLU 19 N 9.60 0.00 -0.29 0.43 5.08 -1.99 -2.49 114.58 124.91 2h1o h GLU 19 Ca -0.33 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.91 2h1o h GLU 19 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2h1o h GLU 19 CO 0.98 0.06 -0.30 -0.09 -1.00 0.00 0.00 179.01 178.67 2h1o h ARG 20 N 0.00 0.60 -0.03 2.33 9.65 -1.91 -0.75 114.38 124.27 2h1o h ARG 20 Ca -0.00 -0.26 -0.22 0.00 -1.10 0.00 0.00 59.98 58.40 2h1o h ARG 20 Cb 0.13 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 2h1o h ARG 20 CO 0.01 0.83 -0.90 0.28 2.80 0.00 0.00 179.97 182.99 2h1o h VAL 21 N 0.52 1.37 0.01 0.20 2.07 -1.46 -2.61 116.25 116.36 2h1o h VAL 21 Ca 0.06 -2.33 -0.00 0.00 0.82 0.00 0.00 66.70 65.25 2h1o h VAL 21 Cb 0.77 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 2h1o h VAL 21 CO 0.06 0.70 -0.01 0.58 0.02 0.00 0.00 177.57 178.93 2h1o h VAL 22 N 0.28 1.23 -0.36 2.57 2.07 -1.32 -2.18 116.25 118.54 2h1o h VAL 22 Ca -0.07 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 66.76 2h1o h VAL 22 Cb 1.53 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 33.00 2h1o h VAL 22 CO 0.16 0.19 0.24 0.00 0.02 0.00 0.00 177.57 178.18 2h1o h ALA 23 N 0.64 1.97 -0.06 1.67 0.00 -1.18 -1.43 119.26 120.87 2h1o h ALA 23 Ca -0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 2h1o h ALA 23 Cb 0.33 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.06 2h1o h ALA 23 CO 0.00 -0.03 -0.93 2.35 0.00 0.00 0.00 179.25 180.64 2h1o h TRP 24 N 0.29 1.02 0.00 0.00 7.01 -1.37 -2.86 115.95 120.04 2h1o h TRP 24 Ca 0.15 -0.51 -0.02 0.00 2.11 0.00 0.00 58.89 60.62 2h1o h TRP 24 Cb 0.25 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.17 2h1o h TRP 24 CO -0.00 1.34 -0.11 -0.07 -2.79 0.00 0.00 178.44 176.82 2h1o h LEU 25 N 0.44 0.00 -0.56 0.65 3.38 -0.71 -1.16 115.31 117.35 2h1o h LEU 25 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2h1o h LEU 25 Cb 1.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.32 2h1o h LEU 25 CO 0.18 0.11 0.00 0.44 0.09 0.00 0.00 178.44 179.26 2h1o h ASP 26 N 0.00 0.00 0.32 -0.43 3.32 -1.07 -3.01 116.42 115.55 2h1o h ASP 26 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2h1o h ASP 26 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2h1o h ASP 26 CO 0.01 0.00 -0.25 -1.54 -1.72 0.00 0.00 179.24 175.74 2h1o n SER 27 N -2.85 0.80 -4.87 6.45 3.41 -0.45 -4.94 113.62 111.18 2h1o n SER 27 Ca 0.03 -0.69 -0.30 0.00 -0.26 0.00 0.00 58.87 57.65 2h1o n SER 27 Cb 0.40 0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 2h1o n SER 27 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2h1o s LEU 28 N -2.58 3.76 -0.75 1.04 1.43 -1.14 -5.03 118.68 115.41 2h1o s LEU 28 Ca 0.23 1.20 -0.17 0.00 -1.03 0.00 0.00 54.13 54.37 2h1o s LEU 28 Cb 0.19 -4.11 0.16 0.00 0.03 0.00 0.00 46.19 42.46 2h1o s LEU 28 CO 0.54 -0.46 0.79 -0.63 0.23 0.00 0.00 176.35 176.82 2h1o s ILE 29 N -2.47 5.16 0.10 -0.59 1.09 -1.26 -4.94 121.20 118.29 2h1o s ILE 29 Ca 0.52 -1.76 0.00 0.00 -1.10 0.00 0.00 60.65 58.32 2h1o s ILE 29 Cb -0.10 -4.52 0.14 0.00 -1.06 0.00 0.00 42.46 36.91 2h1o s ILE 29 CO 0.33 -1.13 0.50 -0.11 -0.10 0.00 0.00 174.94 174.43 2h1o n LEU 30 N 5.31 -0.04 0.00 2.97 7.94 -1.26 0.21 117.00 132.13 2h1o n LEU 30 Ca 0.06 0.54 0.02 0.00 -1.11 0.00 0.00 56.01 55.52 2h1o n LEU 30 Cb 0.45 -0.20 0.08 0.00 0.53 0.00 0.00 43.42 44.29 2h1o n LEU 30 CO 0.46 -0.55 0.43 -0.62 -1.11 0.00 0.00 177.39 176.00 2h1o n GLU 31 N -4.26 0.06 -0.02 1.96 4.71 -1.26 -1.29 120.64 120.54 2h1o n GLU 31 Ca 0.07 0.19 0.02 0.00 -0.01 0.00 0.00 57.16 57.44 2h1o n GLU 31 Cb 0.24 -1.50 0.03 0.00 -1.01 0.00 0.00 31.44 29.20 2h1o n GLU 31 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2h1o n ASP 32 N -1.21 1.64 -4.65 1.62 8.00 0.55 -4.99 116.55 117.52 2h1o n ASP 32 Ca 0.02 -1.39 -0.35 0.00 0.71 0.00 0.00 54.79 53.78 2h1o n ASP 32 Cb 0.02 -0.02 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 2h1o n ASP 32 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2h1o s VAL 33 N -0.55 4.78 0.47 2.53 1.01 -0.41 -1.44 120.40 126.79 2h1o s VAL 33 Ca 0.07 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.05 2h1o s VAL 33 Cb 0.04 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2h1o s VAL 33 CO 0.06 0.48 0.05 -0.31 0.00 0.00 0.00 175.10 175.38 2h1o s TYR 34 N 0.23 2.13 -0.01 5.22 1.51 0.11 -4.94 117.35 121.61 2h1o s TYR 34 Ca 0.04 -0.82 -0.07 0.00 -1.01 0.00 0.00 57.07 55.21 2h1o s TYR 34 Cb -0.12 -1.72 0.00 0.00 -0.11 0.00 0.00 41.96 40.01 2h1o s TYR 34 CO 0.00 0.25 0.13 -0.51 -1.11 0.00 0.00 175.55 174.32 2h1o s LEU 35 N -3.85 1.57 -0.07 -1.29 1.43 -1.03 -2.53 118.68 112.91 2h1o s LEU 35 Ca 0.20 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.05 2h1o s LEU 35 Cb 0.04 0.62 -0.05 0.00 0.03 0.00 0.00 46.19 46.84 2h1o s LEU 35 CO 0.11 -0.32 0.28 -0.55 0.23 0.00 0.00 176.35 176.09 2h1o s SER 36 N -1.17 6.59 0.38 2.29 0.15 -1.26 -0.78 113.70 119.89 2h1o s SER 36 Ca -0.13 0.70 0.17 0.00 0.70 0.00 0.00 55.95 57.40 2h1o s SER 36 Cb -0.07 -2.16 1.09 0.00 -1.71 0.00 0.00 66.02 63.17 2h1o s SER 36 CO 0.01 0.35 1.74 0.00 1.20 0.00 0.00 173.24 176.54 2h1o h ALA 37 N 4.99 2.17 -0.03 5.45 0.00 -1.61 0.62 119.26 130.85 2h1o h ALA 37 Ca -0.52 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.50 2h1o h ALA 37 Cb 1.22 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 2h1o h ALA 37 CO 0.61 -0.63 -0.14 0.82 0.00 0.00 0.00 179.25 179.91 2h1o h ILE 38 N 0.40 0.65 -0.64 0.00 1.08 -1.92 0.73 117.51 117.81 2h1o h ILE 38 Ca 0.64 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 65.07 2h1o h ILE 38 Cb 1.57 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 35.94 2h1o h ILE 38 CO -0.37 0.00 0.24 0.74 -0.69 0.00 0.00 178.15 178.08 2h1o h THR 39 N -0.22 1.24 0.00 -0.27 2.02 -0.47 -1.98 112.91 113.23 2h1o h THR 39 Ca 0.06 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 66.44 2h1o h THR 39 Cb 0.29 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 2h1o h THR 39 CO -0.16 0.30 -0.18 0.58 0.37 0.00 0.00 175.52 176.44 2h1o h VAL 40 N 0.90 1.01 -0.35 3.16 2.07 0.84 -1.55 116.25 122.32 2h1o h VAL 40 Ca 0.21 -0.62 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 2h1o h VAL 40 Cb 0.22 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2h1o h VAL 40 CO -0.01 0.17 -0.17 0.00 0.02 0.00 0.00 177.57 177.58 2h1o h ALA 41 N 1.82 0.49 -0.10 1.67 0.00 0.12 -2.11 119.26 121.16 2h1o h ALA 41 Ca -0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 2h1o h ALA 41 Cb 0.33 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2h1o h ALA 41 CO 0.02 0.42 -0.54 0.93 0.00 0.00 0.00 179.25 180.08 2h1o h GLU 42 N 0.52 0.30 0.63 0.00 4.39 -1.04 -0.25 114.58 119.14 2h1o h GLU 42 Ca 0.08 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 2h1o h GLU 42 Cb 0.71 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.38 2h1o h GLU 42 CO 0.05 0.77 -0.30 0.52 -1.16 0.00 0.00 179.01 178.89 2h1o h MET 43 N 0.24 -0.81 -0.82 2.33 2.86 -1.21 0.89 114.93 118.40 2h1o h MET 43 Ca 0.00 0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 2h1o h MET 43 Cb 1.03 0.19 -0.05 0.00 0.06 0.00 0.00 31.60 32.82 2h1o h MET 43 CO 0.09 -0.54 0.52 0.00 1.06 0.00 0.00 176.91 178.03 2h1o h ARG 44 N -0.85 0.97 -0.79 1.72 3.08 -1.28 -1.49 114.38 115.74 2h1o h ARG 44 Ca -0.09 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 2h1o h ARG 44 Cb 0.65 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 2h1o h ARG 44 CO 0.14 0.64 0.30 1.25 -1.07 0.00 0.00 179.97 181.23 2h1o h LEU 45 N 0.99 1.10 -1.01 3.04 5.85 -0.91 -1.00 115.31 123.38 2h1o h LEU 45 Ca 0.33 -0.18 0.15 0.00 0.84 0.00 0.00 57.88 59.02 2h1o h LEU 45 Cb 0.04 -0.29 -0.09 0.00 0.37 0.00 0.00 40.66 40.70 2h1o h LEU 45 CO -0.13 0.98 0.63 1.23 -0.34 0.00 0.00 178.44 180.81 2h1o h GLY 46 N 1.16 1.70 1.61 3.75 0.00 0.23 0.45 103.07 111.96 2h1o h GLY 46 Ca 0.26 -0.40 -0.19 0.00 0.00 0.00 0.00 47.33 47.00 2h1o h GLY 46 CO -0.02 0.08 -0.77 -2.08 0.00 0.00 0.00 176.54 173.75 2h1o h VAL 47 N 0.92 1.39 -0.34 4.60 2.07 -0.91 -3.27 116.25 120.71 2h1o h VAL 47 Ca 0.53 -2.23 -0.10 0.00 0.82 0.00 0.00 66.70 65.72 2h1o h VAL 47 Cb 0.63 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 2h1o h VAL 47 CO -0.31 0.67 -0.20 0.00 0.02 0.00 0.00 177.57 177.75 2h1o h ALA 48 N 0.92 1.00 0.00 1.67 0.00 0.33 -3.08 119.26 120.10 2h1o h ALA 48 Ca -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2h1o h ALA 48 Cb 1.36 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2h1o h ALA 48 CO 0.13 0.59 0.00 1.28 0.00 0.00 0.00 179.25 181.25 2h1o n LEU 49 N -4.13 0.57 -4.85 0.00 4.77 -0.37 -4.79 117.00 108.19 2h1o n LEU 49 Ca 0.00 -0.28 -0.36 0.00 -0.03 0.00 0.00 56.01 55.34 2h1o n LEU 49 Cb 0.40 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2h1o n LEU 49 CO 0.43 0.14 -0.19 -0.76 -1.33 0.00 0.00 177.39 175.68 2h1o s LEU 50 N -0.26 4.24 0.01 2.23 1.43 -1.17 -5.04 118.68 120.13 2h1o s LEU 50 Ca 0.00 0.38 -0.32 0.00 -1.03 0.00 0.00 54.13 53.16 2h1o s LEU 50 Cb 0.00 -2.16 -0.10 0.00 0.03 0.00 0.00 46.19 43.95 2h1o s LEU 50 CO 0.00 0.37 1.92 0.18 0.23 0.00 0.00 176.35 179.04 2h1o n LEU 51 N 1.73 3.89 -4.46 1.79 4.77 -1.26 -4.82 117.00 118.64 2h1o n LEU 51 Ca -0.17 0.94 -0.60 0.00 -0.03 0.00 0.00 56.01 56.15 2h1o n LEU 51 Cb 0.54 -1.47 -0.08 0.00 -2.33 0.00 0.00 43.42 40.07 2h1o n LEU 51 CO 0.34 0.10 0.68 0.59 -1.33 0.00 0.00 177.39 177.77 2h1o n ASN 52 N 6.87 0.24 0.00 -1.43 3.02 -1.26 -4.54 115.26 118.15 2h1o n ASN 52 Ca 0.21 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.90 2h1o n ASN 52 Cb 0.36 -0.89 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 2h1o n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2h1o n GLY 53 N 1.98 -0.89 0.22 7.41 0.00 -1.26 -4.96 105.19 107.69 2h1o n GLY 53 Ca 0.22 -1.14 -0.05 0.00 0.00 0.00 0.00 46.02 45.05 2h1o n GLY 53 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2h1o h LYS 54 N 0.00 -0.07 0.10 1.61 3.64 -1.98 0.67 116.57 120.54 2h1o h LYS 54 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2h1o h LYS 54 Cb 0.00 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2h1o h LYS 54 CO 0.00 -0.05 -0.39 -0.22 -2.27 0.00 0.00 179.45 176.52 2h1o h LYS 55 N -0.07 -0.55 -0.26 1.90 3.64 -1.94 0.20 116.57 119.49 2h1o h LYS 55 Ca 0.21 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.67 2h1o h LYS 55 Cb 0.39 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 2h1o h LYS 55 CO -0.47 -0.36 -0.02 -0.22 -2.27 0.00 0.00 179.45 176.10 2h1o h LYS 56 N -0.57 0.05 -0.78 1.90 3.64 -1.66 0.27 116.57 119.42 2h1o h LYS 56 Ca -0.01 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.46 2h1o h LYS 56 Cb 0.57 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.30 2h1o h LYS 56 CO -0.21 0.04 0.44 -0.91 -2.27 0.00 0.00 179.45 176.53 2h1o h ASN 57 N 0.06 0.62 -0.03 4.20 4.21 0.68 0.68 115.58 126.00 2h1o h ASN 57 Ca 0.12 0.05 -0.14 0.00 1.21 0.00 0.00 56.30 57.54 2h1o h ASN 57 Cb 0.17 -0.07 0.01 0.00 -1.12 0.00 0.00 38.32 37.31 2h1o h ASN 57 CO -0.22 0.36 -0.53 0.58 -1.29 0.00 0.00 177.43 176.32 2h1o h VAL 58 N 0.74 1.42 -0.52 2.81 2.07 -0.29 -1.76 116.25 120.72 2h1o h VAL 58 Ca 0.38 -1.99 0.07 0.00 0.82 0.00 0.00 66.70 65.98 2h1o h VAL 58 Cb 0.34 2.51 -0.06 0.00 -1.52 0.00 0.00 31.29 32.56 2h1o h VAL 58 CO -0.24 0.58 0.18 0.25 0.02 0.00 0.00 177.57 178.36 2h1o h LEU 59 N -0.09 0.18 0.29 2.57 5.85 -0.68 0.18 115.31 123.60 2h1o h LEU 59 Ca -0.06 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2h1o h LEU 59 Cb 1.23 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 2h1o h LEU 59 CO 0.11 0.13 -0.16 -0.74 -0.34 0.00 0.00 178.44 177.43 2h1o h HIS 60 N 0.36 -0.42 -0.35 1.25 2.76 -0.88 0.15 115.15 118.01 2h1o h HIS 60 Ca 0.25 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.48 2h1o h HIS 60 Cb 0.28 0.15 -0.08 0.00 1.55 0.00 0.00 27.41 29.30 2h1o h HIS 60 CO -0.17 -0.26 -0.45 1.49 -1.30 0.00 0.00 177.93 177.24 2h1o h GLU 61 N -0.43 -0.36 -0.66 5.26 4.57 -0.46 -1.02 114.58 121.48 2h1o h GLU 61 Ca -0.03 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2h1o h GLU 61 Cb 0.34 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 2h1o h GLU 61 CO 0.04 -0.24 0.39 0.00 -1.18 0.00 0.00 179.01 178.02 2h1o h ARG 62 N -0.38 0.89 -0.06 1.92 2.47 -0.52 -0.14 114.38 118.57 2h1o h ARG 62 Ca 0.11 -0.08 -0.06 0.00 -1.26 0.00 0.00 59.98 58.69 2h1o h ARG 62 Cb 0.60 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 2h1o h ARG 62 CO -0.55 0.63 -0.26 1.98 0.56 0.00 0.00 179.97 182.33 2h1o h MET 63 N 0.90 0.10 0.00 0.04 4.05 0.42 -0.20 114.93 120.24 2h1o h MET 63 Ca 0.24 -0.03 -0.20 0.00 -0.28 0.00 0.00 59.70 59.43 2h1o h MET 63 Cb -0.02 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.73 2h1o h MET 63 CO -0.04 0.36 -2.15 0.39 0.23 0.00 0.00 176.91 175.70 2h1o n GLU 64 N -4.19 0.67 -0.09 0.39 -0.58 -0.50 -2.32 120.64 114.03 2h1o n GLU 64 Ca -0.02 -0.07 -0.09 0.00 -0.42 0.00 0.00 57.16 56.56 2h1o n GLU 64 Cb 0.34 -1.54 -0.13 0.00 -0.57 0.00 0.00 31.44 29.53 2h1o n GLU 64 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2h1o n GLN 65 N -2.56 1.10 -0.08 3.49 1.13 -0.10 -4.41 117.38 115.94 2h1o n GLN 65 Ca -0.19 0.01 -0.10 0.00 -1.94 0.00 0.00 57.00 54.78 2h1o n GLN 65 Cb 0.89 -1.44 -0.09 0.00 0.11 0.00 0.00 30.24 29.71 2h1o n GLN 65 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2h1o n SER 66 N -2.71 2.30 0.00 1.08 7.64 -0.33 -4.67 113.62 116.93 2h1o n SER 66 Ca -0.30 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.52 2h1o n SER 66 Cb 1.04 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 64.34 2h1o n SER 66 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2h1o n ILE 67 N -2.84 0.00 -0.30 0.44 5.41 -0.24 -4.44 119.36 117.39 2h1o n ILE 67 Ca -0.28 0.44 0.13 0.00 1.00 0.00 0.00 62.75 64.03 2h1o n ILE 67 Cb 0.87 -1.37 0.37 0.00 -0.71 0.00 0.00 39.64 38.79 2h1o n ILE 67 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2h1o h LEU 68 N 0.00 0.68 -2.67 1.39 3.38 -1.72 0.21 115.31 116.58 2h1o h LEU 68 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2h1o h LEU 68 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2h1o h LEU 68 CO 0.00 0.31 0.09 -0.65 0.09 0.00 0.00 178.44 178.28 2h1o h PRO 69 N 0.70 0.00 0.00 1.13 0.11 -1.81 0.22 132.00 132.35 2h1o h PRO 69 Ca 0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.58 2h1o h PRO 69 Cb 0.80 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 2h1o h PRO 69 CO -0.25 0.00 -0.08 -0.07 -0.21 0.00 0.00 178.00 177.39 2h1o h LEU 70 N 0.00 0.00 -2.02 2.35 3.38 -1.16 -2.98 115.31 114.88 2h1o h LEU 70 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2h1o h LEU 70 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2h1o h LEU 70 CO 0.00 0.08 0.00 0.49 0.09 0.00 0.00 178.44 179.10 2h1o n PHE 71 N -3.18 0.21 -1.69 1.13 3.01 0.73 -4.93 117.46 112.74 2h1o n PHE 71 Ca 0.01 -0.17 -0.59 0.00 1.01 0.00 0.00 57.45 57.71 2h1o n PHE 71 Cb 0.40 -0.01 -0.08 0.00 -0.01 0.00 0.00 39.48 39.79 2h1o n PHE 71 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2h1o n ALA 72 N 0.85 -0.32 0.00 4.37 0.00 -0.95 0.43 120.51 124.89 2h1o n ALA 72 Ca 0.11 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2h1o n ALA 72 Cb 0.41 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2h1o n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h1o n GLY 73 N 4.40 1.32 0.34 0.00 0.00 -1.26 -4.87 105.19 105.11 2h1o n GLY 73 Ca 0.29 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.39 2h1o n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h1o n ARG 74 N -2.00 1.47 -3.36 1.61 1.74 0.17 -4.93 116.66 111.36 2h1o n ARG 74 Ca 0.00 -2.89 -0.46 0.00 -0.77 0.00 0.00 57.85 53.73 2h1o n ARG 74 Cb 0.00 -1.57 -0.03 0.00 -1.02 0.00 0.00 32.46 29.85 2h1o n ARG 74 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2h1o s ILE 75 N -3.03 5.47 0.02 0.55 1.01 -1.22 -2.45 121.20 121.55 2h1o s ILE 75 Ca 0.35 -2.53 -0.32 0.00 0.00 0.00 0.00 60.65 58.15 2h1o s ILE 75 Cb 0.32 -4.38 -0.11 0.00 0.01 0.00 0.00 42.46 38.30 2h1o s ILE 75 CO -0.01 -1.02 1.90 0.18 0.00 0.00 0.00 174.94 175.99 2h1o n LEU 76 N 3.91 3.86 -4.81 2.97 4.77 0.04 -4.58 117.00 123.15 2h1o n LEU 76 Ca 0.14 0.95 -0.33 0.00 -0.03 0.00 0.00 56.01 56.74 2h1o n LEU 76 Cb 0.46 -1.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.04 2h1o n LEU 76 CO 0.33 0.09 0.69 -2.16 -1.33 0.00 0.00 177.39 175.01 2h1o s PRO 77 N 3.80 3.83 -0.47 3.23 0.04 -1.26 -1.85 135.00 142.32 2h1o s PRO 77 Ca 0.88 1.18 -0.19 0.00 0.04 0.00 0.00 61.00 62.92 2h1o s PRO 77 Cb -0.54 -2.11 0.04 0.00 0.04 0.00 0.00 34.50 31.93 2h1o s PRO 77 CO 0.44 -0.38 0.57 0.12 0.04 0.00 0.00 177.00 177.79 2h1o s PHE 78 N -2.27 3.09 0.48 0.56 5.36 -1.26 -4.95 117.98 119.00 2h1o s PHE 78 Ca 0.63 -0.41 0.00 0.00 -0.96 0.00 0.00 56.93 56.20 2h1o s PHE 78 Cb -0.13 -3.32 -0.00 0.00 -0.34 0.00 0.00 43.02 39.23 2h1o s PHE 78 CO 0.24 -0.90 0.01 -0.40 -1.46 0.00 0.00 175.22 172.71 2h1o n ASP 79 N 6.00 3.14 -0.15 6.13 5.68 -1.26 -4.96 116.55 131.12 2h1o n ASP 79 Ca -0.06 -3.14 -0.09 0.00 -0.50 0.00 0.00 54.79 51.00 2h1o n ASP 79 Cb 0.46 0.41 -0.07 0.00 -1.14 0.00 0.00 41.12 40.79 2h1o n ASP 79 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2h1o h GLU 80 N 0.00 -0.18 -0.80 0.11 4.22 -1.98 0.39 114.58 116.34 2h1o h GLU 80 Ca -0.40 0.01 0.15 0.00 0.08 0.00 0.00 59.36 59.21 2h1o h GLU 80 Cb 1.23 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 30.37 2h1o h GLU 80 CO 0.66 -0.12 -0.26 -1.35 -2.18 0.00 0.00 179.01 175.76 2h1o h PRO 81 N -0.19 -0.03 -0.42 0.92 0.11 -2.00 0.31 132.00 130.70 2h1o h PRO 81 Ca 0.07 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 2h1o h PRO 81 Cb 0.37 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 2h1o h PRO 81 CO -0.48 -0.02 0.25 0.28 -0.21 0.00 0.00 178.00 177.81 2h1o h VAL 82 N -0.03 1.14 -1.00 3.15 2.07 -1.59 -2.61 116.25 117.38 2h1o h VAL 82 Ca 0.35 -0.35 0.22 0.00 0.82 0.00 0.00 66.70 67.74 2h1o h VAL 82 Cb 0.59 0.61 -0.12 0.00 -1.52 0.00 0.00 31.29 30.86 2h1o h VAL 82 CO -0.83 0.15 0.60 0.00 0.02 0.00 0.00 177.57 177.51 2h1o h ALA 83 N 1.10 1.73 -0.04 1.67 0.00 0.36 0.24 119.26 124.32 2h1o h ALA 83 Ca 0.15 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2h1o h ALA 83 Cb 0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2h1o h ALA 83 CO -0.03 -0.15 0.01 0.00 0.00 0.00 0.00 179.25 179.08 2h1o h ALA 84 N 1.69 0.05 -0.20 0.00 0.00 -0.97 -1.85 119.26 117.97 2h1o h ALA 84 Ca 0.61 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.45 2h1o h ALA 84 Cb 1.06 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2h1o h ALA 84 CO -0.43 -0.34 -0.09 0.82 0.00 0.00 0.00 179.25 179.21 2h1o h ILE 85 N -0.15 0.71 -0.96 0.00 1.08 -0.80 -1.17 117.51 116.21 2h1o h ILE 85 Ca 0.01 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.66 2h1o h ILE 85 Cb 0.22 0.71 -0.10 0.00 -3.07 0.00 0.00 36.82 34.58 2h1o h ILE 85 CO -0.00 0.00 0.56 0.22 -0.69 0.00 0.00 178.15 178.24 2h1o h TYR 86 N -0.06 0.98 -0.38 1.37 3.20 -0.51 0.26 116.97 121.83 2h1o h TYR 86 Ca 0.11 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.91 2h1o h TYR 86 Cb 0.22 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 2h1o h TYR 86 CO -0.25 0.23 -0.20 0.00 -1.64 0.00 0.00 178.16 176.30 2h1o h ALA 87 N 1.62 0.94 0.04 1.82 0.00 -0.38 -0.98 119.26 122.33 2h1o h ALA 87 Ca 0.54 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2h1o h ALA 87 Cb 0.81 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2h1o h ALA 87 CO -0.38 0.61 -0.02 -0.56 0.00 0.00 0.00 179.25 178.91 2h1o h GLN 88 N 0.64 -0.05 -0.41 0.00 -0.00 -0.16 -2.08 115.11 113.05 2h1o h GLN 88 Ca 0.09 0.00 0.09 0.00 -0.00 0.00 0.00 58.65 58.83 2h1o h GLN 88 Cb 0.69 0.01 -0.09 0.00 -0.00 0.00 0.00 27.48 28.09 2h1o h GLN 88 CO 0.05 0.52 -0.20 0.82 -0.00 0.00 0.00 178.83 180.02 2h1o h ILE 89 N -0.68 0.41 -0.17 1.86 2.04 -0.51 -0.93 117.51 119.54 2h1o h ILE 89 Ca -0.01 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.69 2h1o h ILE 89 Cb 0.60 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2h1o h ILE 89 CO 0.01 0.00 -0.58 0.03 0.00 0.00 0.00 178.15 177.61 2h1o h ARG 90 N -0.12 0.53 -0.14 2.37 3.08 -1.26 -2.97 114.38 115.87 2h1o h ARG 90 Ca 0.20 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 2h1o h ARG 90 Cb 0.43 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2h1o h ARG 90 CO -0.49 0.96 0.05 0.66 -1.07 0.00 0.00 179.97 180.09 2h1o h SER 91 N 0.40 0.19 0.72 7.04 4.64 -0.77 -1.98 113.55 123.80 2h1o h SER 91 Ca 0.00 -0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.12 2h1o h SER 91 Cb 1.13 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2h1o h SER 91 CO 0.11 0.31 -0.44 0.22 -0.87 0.00 0.00 176.83 176.16 2h1o h TYR 92 N 0.06 -1.17 -0.71 4.77 3.20 -1.24 0.08 116.97 121.96 2h1o h TYR 92 Ca 0.04 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.04 2h1o h TYR 92 Cb 0.18 0.42 -0.09 0.00 1.54 0.00 0.00 36.73 38.78 2h1o h TYR 92 CO -0.01 -0.66 0.25 0.00 -1.64 0.00 0.00 178.16 176.10 2h1o h ALA 93 N -1.27 0.96 -0.40 1.82 0.00 -1.58 -2.35 119.26 116.44 2h1o h ALA 93 Ca -0.10 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2h1o h ALA 93 Cb 0.87 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2h1o h ALA 93 CO 0.10 -0.23 -0.20 -0.22 0.00 0.00 0.00 179.25 178.69 2h1o h LYS 94 N 0.39 0.84 -1.17 0.00 1.63 -1.25 0.25 116.57 117.26 2h1o h LYS 94 Ca 0.39 -0.37 -0.16 0.00 -0.85 0.00 0.00 60.65 59.66 2h1o h LYS 94 Cb 0.58 -0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 32.10 2h1o h LYS 94 CO -0.40 1.00 0.20 0.25 -3.45 0.00 0.00 179.45 177.06 2h1o n THR 95 N -4.23 1.83 -1.21 1.00 -2.24 0.01 -2.45 114.28 106.98 2h1o n THR 95 Ca -0.02 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 2h1o n THR 95 Cb 0.43 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 2h1o n THR 95 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2h1o n HIS 96 N 0.21 0.00 -0.13 4.78 8.25 -0.94 -4.99 115.22 122.40 2h1o n HIS 96 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 2h1o n HIS 96 Cb 0.77 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.90 2h1o n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2h1o n GLY 97 N 0.00 0.78 3.24 -1.41 0.00 -1.03 -5.03 105.19 101.75 2h1o n GLY 97 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2h1o n GLY 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2h1o s LYS 98 N -0.70 2.54 0.20 1.61 2.47 0.03 -4.99 119.74 120.90 2h1o s LYS 98 Ca 0.00 -1.59 -0.31 0.00 -1.56 0.00 0.00 55.97 52.51 2h1o s LYS 98 Cb 0.00 -3.84 -0.10 0.00 -1.46 0.00 0.00 37.83 32.43 2h1o s LYS 98 CO 0.00 -1.05 1.50 -2.00 0.16 0.00 0.00 175.35 173.96 2h1o s GLU 99 N 1.40 4.24 -0.23 4.03 2.56 -1.26 -3.38 118.70 126.06 2h1o s GLU 99 Ca 0.04 2.32 -0.00 0.00 0.00 0.00 0.00 54.97 57.33 2h1o s GLU 99 Cb -0.24 -3.14 0.03 0.00 2.00 0.00 0.00 34.13 32.78 2h1o s GLU 99 CO 0.01 -0.51 -0.11 0.42 -0.56 0.00 0.00 175.26 174.51 2h1o s ILE 100 N 0.59 2.57 0.33 -3.70 -1.09 -1.26 -4.97 121.20 113.67 2h1o s ILE 100 Ca 0.65 -1.07 -0.29 0.00 -2.23 0.00 0.00 60.65 57.71 2h1o s ILE 100 Cb -0.43 -2.27 -0.11 0.00 -1.58 0.00 0.00 42.46 38.07 2h1o s ILE 100 CO 0.37 0.27 1.57 0.00 -1.23 0.00 0.00 174.94 175.92 2h1o n ALA 101 N 4.62 2.56 -0.02 9.38 0.00 -1.26 -4.77 120.51 131.02 2h1o n ALA 101 Ca -0.17 0.36 0.21 0.00 0.00 0.00 0.00 53.44 53.83 2h1o n ALA 101 Cb 0.47 -2.46 0.68 0.00 0.00 0.00 0.00 19.45 18.15 2h1o n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h1o h ALA 102 N 4.16 2.52 0.48 0.00 0.00 -1.98 0.30 119.26 124.74 2h1o h ALA 102 Ca -0.48 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 2h1o h ALA 102 Cb 1.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2h1o h ALA 102 CO 0.74 -0.68 -0.25 0.00 0.00 0.00 0.00 179.25 179.06 2h1o h ALA 103 N 1.71 -1.15 -0.70 0.00 0.00 -2.02 -2.63 119.26 114.47 2h1o h ALA 103 Ca 0.27 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2h1o h ALA 103 Cb 1.07 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 2h1o h ALA 103 CO -0.01 -1.11 0.46 -0.44 0.00 0.00 0.00 179.25 178.15 2h1o h ASP 104 N -0.67 0.65 -0.62 0.00 3.45 -1.61 -2.64 116.42 114.98 2h1o h ASP 104 Ca -0.07 0.00 0.11 0.00 0.43 0.00 0.00 57.03 57.51 2h1o h ASP 104 Cb 0.52 -0.14 -0.08 0.00 -0.56 0.00 0.00 39.33 39.07 2h1o h ASP 104 CO 0.09 0.43 0.17 1.23 -1.57 0.00 0.00 179.24 179.60 2h1o h GLY 105 N 0.75 0.83 1.00 2.75 0.00 -0.27 -0.72 103.07 107.41 2h1o h GLY 105 Ca 0.30 -0.07 0.10 0.00 0.00 0.00 0.00 47.33 47.66 2h1o h GLY 105 CO -0.09 -0.09 0.42 -0.97 0.00 0.00 0.00 176.54 175.81 2h1o h TYR 106 N 0.32 0.48 0.06 5.60 0.99 -1.10 -0.38 116.97 122.94 2h1o h TYR 106 Ca 0.32 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 61.06 2h1o h TYR 106 Cb 0.46 -0.16 0.00 0.00 1.00 0.00 0.00 36.73 38.04 2h1o h TYR 106 CO -0.22 0.23 -0.03 0.82 -0.00 0.00 0.00 178.16 178.96 2h1o h ILE 107 N 0.45 0.00 -1.08 -2.88 5.03 -1.40 -2.55 117.51 115.08 2h1o h ILE 107 Ca 0.29 -0.89 0.35 0.00 -0.12 0.00 0.00 64.86 64.49 2h1o h ILE 107 Cb 0.55 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 34.20 2h1o h ILE 107 CO -0.09 0.00 0.65 0.00 -0.68 0.00 0.00 178.15 178.03 2h1o h ALA 108 N -1.07 2.19 -0.14 1.87 0.00 -1.03 0.56 119.26 121.64 2h1o h ALA 108 Ca -0.01 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2h1o h ALA 108 Cb 0.06 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2h1o h ALA 108 CO 0.01 -0.80 -0.18 0.00 0.00 0.00 0.00 179.25 178.28 2h1o h ALA 109 N 1.77 0.22 -0.47 0.00 0.00 -1.17 0.30 119.26 119.90 2h1o h ALA 109 Ca 0.74 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 55.33 2h1o h ALA 109 Cb 1.91 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.62 2h1o h ALA 109 CO -0.53 0.14 0.28 1.15 0.00 0.00 0.00 179.25 180.29 2h1o h THR 110 N -0.00 1.05 -0.14 0.00 2.02 0.31 -0.32 112.91 115.84 2h1o h THR 110 Ca 0.02 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 2h1o h THR 110 Cb 0.74 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2h1o h THR 110 CO 0.04 0.10 0.02 0.00 0.37 0.00 0.00 175.52 176.06 2h1o h ALA 111 N 1.21 0.18 0.00 6.16 0.00 -0.13 -2.68 119.26 123.99 2h1o h ALA 111 Ca 0.19 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2h1o h ALA 111 Cb 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2h1o h ALA 111 CO -0.08 -0.16 -0.02 -0.22 0.00 0.00 0.00 179.25 178.76 2h1o h LYS 112 N 0.00 0.00 0.74 0.00 3.64 -0.16 -0.85 116.57 119.95 2h1o h LYS 112 Ca 0.04 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2h1o h LYS 112 Cb 0.30 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2h1o h LYS 112 CO 0.00 0.02 -0.36 0.37 -2.27 0.00 0.00 179.45 177.22 2h1o h GLN 113 N 0.00 -0.96 -0.64 1.90 5.75 -0.70 -3.27 115.11 117.18 2h1o h GLN 113 Ca -0.00 0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 2h1o h GLN 113 Cb 0.05 0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.82 2h1o h GLN 113 CO 0.00 -0.64 0.00 0.72 -2.65 0.00 0.00 178.83 176.26 2h1o n HIS 114 N -4.90 1.32 -3.08 3.99 8.25 -1.15 -4.98 115.22 114.67 2h1o n HIS 114 Ca -0.12 -0.49 -0.16 0.00 -0.26 0.00 0.00 57.72 56.68 2h1o n HIS 114 Cb 0.39 -0.28 0.02 0.00 1.12 0.00 0.00 29.99 31.24 2h1o n HIS 114 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2h1o n SER 115 N 0.70 -7.19 -4.36 0.41 7.64 -0.41 -4.89 113.62 105.53 2h1o n SER 115 Ca 0.20 0.24 -0.19 0.00 1.01 0.00 0.00 58.87 60.14 2h1o n SER 115 Cb 0.81 -4.28 -0.10 0.00 -1.01 0.00 0.00 64.21 59.63 2h1o n SER 115 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2h1o s MET 116 N -2.70 1.37 -0.32 1.43 -1.94 -0.69 -4.14 119.30 112.30 2h1o s MET 116 Ca 0.25 -1.64 -0.12 0.00 -1.71 0.00 0.00 55.69 52.48 2h1o s MET 116 Cb -0.05 -1.04 -0.02 0.00 2.01 0.00 0.00 34.83 35.73 2h1o s MET 116 CO 0.80 0.11 0.20 0.99 -0.01 0.00 0.00 175.02 177.11 2h1o s THR 117 N -3.06 5.07 0.30 2.05 2.01 -0.71 -4.13 115.64 117.17 2h1o s THR 117 Ca 0.24 -0.22 -0.28 0.00 0.31 0.00 0.00 61.69 61.75 2h1o s THR 117 Cb 0.01 -3.57 -0.09 0.00 0.01 0.00 0.00 72.50 68.86 2h1o s THR 117 CO 0.08 0.06 0.99 -0.69 -0.69 0.00 0.00 174.62 174.37 2h1o s VAL 118 N 1.69 3.93 -0.21 3.82 1.01 0.63 -2.00 120.40 129.27 2h1o s VAL 118 Ca 0.06 1.77 -0.04 0.00 0.00 0.00 0.00 61.98 63.77 2h1o s VAL 118 Cb -0.17 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 2h1o s VAL 118 CO 0.09 0.29 -0.04 0.00 0.00 0.00 0.00 175.10 175.45 2h1o s ALA 119 N -1.37 2.85 0.04 5.51 0.00 0.02 -1.25 121.76 127.55 2h1o s ALA 119 Ca 0.47 -1.13 -0.27 0.00 0.00 0.00 0.00 51.96 51.03 2h1o s ALA 119 Cb -0.25 -1.71 0.09 0.00 0.00 0.00 0.00 23.12 21.25 2h1o s ALA 119 CO 0.31 -0.36 0.76 -0.08 0.00 0.00 0.00 175.76 176.39 2h1o s THR 120 N 1.37 0.00 -1.16 0.00 -1.32 -0.72 -0.94 115.64 112.87 2h1o s THR 120 Ca 0.04 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.79 2h1o s THR 120 Cb -0.14 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.01 2h1o s THR 120 CO -0.02 0.00 1.64 -2.11 -2.21 0.00 0.00 174.62 171.92 2h1o n ARG 121 N -0.04 0.18 -2.40 7.08 1.85 -1.26 -4.13 116.66 117.93 2h1o n ARG 121 Ca -0.13 -0.08 -0.38 0.00 -1.00 0.00 0.00 57.85 56.26 2h1o n ARG 121 Cb 0.62 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.55 2h1o n ARG 121 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2h1o n ASP 122 N -1.35 6.87 -0.33 2.89 10.43 -1.26 -4.86 116.55 128.93 2h1o n ASP 122 Ca 0.08 -3.75 0.17 0.00 2.57 0.00 0.00 54.79 53.86 2h1o n ASP 122 Cb 0.33 -1.00 0.40 0.00 1.84 0.00 0.00 41.12 42.68 2h1o n ASP 122 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 2h1o h THR 123 N 2.26 0.62 -0.72 -3.53 1.35 -1.95 -3.05 112.91 107.89 2h1o h THR 123 Ca 0.48 -0.21 0.15 0.00 -0.55 0.00 0.00 66.41 66.28 2h1o h THR 123 Cb 0.29 -0.04 -0.13 0.00 -1.73 0.00 0.00 68.15 66.54 2h1o h THR 123 CO 1.20 0.11 -0.13 1.23 -0.25 0.00 0.00 175.52 177.68 2h1o h GLY 124 N 0.60 0.59 0.22 5.82 0.00 -1.96 -2.26 103.07 106.08 2h1o h GLY 124 Ca 0.59 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 48.11 2h1o h GLY 124 CO -0.37 -0.27 -0.17 1.76 0.00 0.00 0.00 176.54 177.49 2h1o h SER 125 N 0.02 -0.45 -1.08 0.19 0.02 -1.91 -3.11 113.55 107.24 2h1o h SER 125 Ca 0.36 0.03 0.29 0.00 -0.84 0.00 0.00 61.79 61.63 2h1o h SER 125 Cb 0.57 0.14 -0.08 0.00 0.14 0.00 0.00 62.40 63.16 2h1o h SER 125 CO -0.71 -0.24 0.72 -0.26 -1.14 0.00 0.00 176.83 175.20 2h1o h PHE 126 N -0.37 0.48 -0.35 3.45 -1.00 -1.67 0.11 116.94 117.58 2h1o h PHE 126 Ca -0.03 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.79 2h1o h PHE 126 Cb 0.31 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.71 2h1o h PHE 126 CO -0.05 0.03 0.19 0.74 -1.61 0.00 0.00 178.31 177.60 2h1o h PHE 127 N 0.27 0.34 0.00 -0.55 0.04 -1.35 -1.54 116.94 114.16 2h1o h PHE 127 Ca 0.60 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.37 2h1o h PHE 127 Cb 1.75 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 39.79 2h1o h PHE 127 CO -0.00 0.19 -0.04 0.00 -0.60 0.00 0.00 178.31 177.85 2h1o h ALA 128 N 1.18 1.36 -0.29 2.45 0.00 -0.72 -1.50 119.26 121.72 2h1o h ALA 128 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2h1o h ALA 128 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2h1o h ALA 128 CO -0.09 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.21 2h1o n ALA 129 N -2.27 2.47 -3.43 0.00 0.00 -0.61 -4.70 120.51 111.98 2h1o n ALA 129 Ca -0.02 -0.68 -0.20 0.00 0.00 0.00 0.00 53.44 52.53 2h1o n ALA 129 Cb 0.14 -1.01 0.06 0.00 0.00 0.00 0.00 19.45 18.64 2h1o n ALA 129 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2h1o n ASP 130 N 0.68 -5.37 -3.86 0.00 -0.08 -0.57 -4.97 116.55 102.38 2h1o n ASP 130 Ca 0.16 -0.80 -0.16 0.00 -1.51 0.00 0.00 54.79 52.48 2h1o n ASP 130 Cb 0.39 -4.60 -0.15 0.00 2.34 0.00 0.00 41.12 39.09 2h1o n ASP 130 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2h1o s VAL 131 N -3.43 0.23 0.13 5.18 1.01 -1.02 -4.95 120.40 117.54 2h1o s VAL 131 Ca 0.38 -0.01 -0.35 0.00 0.00 0.00 0.00 61.98 62.00 2h1o s VAL 131 Cb -0.08 -0.27 -0.15 0.00 0.00 0.00 0.00 36.38 35.87 2h1o s VAL 131 CO 0.78 0.12 1.45 0.00 0.00 0.00 0.00 175.10 177.45 2h1o n ALA 132 N 3.71 0.16 -2.42 5.51 0.00 -1.26 -4.45 120.51 121.76 2h1o n ALA 132 Ca -0.22 0.48 -0.20 0.00 0.00 0.00 0.00 53.44 53.50 2h1o n ALA 132 Cb 0.53 -2.21 -0.11 0.00 0.00 0.00 0.00 19.45 17.67 2h1o n ALA 132 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2h1o s VAL 133 N 0.66 1.81 -0.16 0.00 1.01 -1.26 -0.27 120.40 122.19 2h1o s VAL 133 Ca 0.81 -2.05 -0.08 0.00 0.00 0.00 0.00 61.98 60.67 2h1o s VAL 133 Cb -0.82 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 33.69 2h1o s VAL 133 CO 0.43 -0.43 0.36 0.12 0.00 0.00 0.00 175.10 175.58 2h1o s PHE 134 N -2.43 -0.55 -0.57 5.22 5.36 -0.38 -4.89 117.98 119.74 2h1o s PHE 134 Ca 0.19 1.18 -0.16 0.00 -0.96 0.00 0.00 56.93 57.18 2h1o s PHE 134 Cb -0.04 0.20 0.14 0.00 -0.34 0.00 0.00 43.02 42.98 2h1o s PHE 134 CO 0.07 -0.34 0.53 1.21 -1.46 0.00 0.00 175.22 175.23 2h1o s ASN 135 N 1.60 6.25 0.00 6.13 3.84 -1.26 -1.76 114.94 129.74 2h1o s ASN 135 Ca -0.08 -1.89 0.02 0.00 0.21 0.00 0.00 52.86 51.13 2h1o s ASN 135 Cb -0.10 -2.21 0.15 0.00 -0.55 0.00 0.00 41.25 38.54 2h1o s ASN 135 CO -0.11 -0.83 0.53 -0.81 -2.79 0.00 0.00 177.10 173.08 2h1o n PRO 136 N 5.11 0.37 0.05 0.43 -0.04 -1.26 -1.53 135.00 138.13 2h1o n PRO 136 Ca -0.11 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.47 2h1o n PRO 136 Cb 0.41 -1.10 0.10 0.00 -0.04 0.00 0.00 33.50 32.86 2h1o n PRO 136 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2h1o n TRP 137 N -0.60 0.46 -3.02 0.54 8.01 -1.26 -3.35 117.44 118.22 2h1o n TRP 137 Ca 0.02 0.13 0.00 0.00 -1.31 0.00 0.00 57.50 56.34 2h1o n TRP 137 Cb 0.01 -0.59 0.00 0.00 -2.01 0.00 0.00 31.31 28.72 2h1o n TRP 137 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 2h1o n HIS 138 N -2.09 -1.82 -4.22 -5.99 8.25 -0.58 -4.90 115.22 103.87 2h1o n HIS 138 Ca 0.02 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.21 2h1o n HIS 138 Cb 0.45 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.51 2h1o n HIS 138 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2h1o s LEU 139 N 0.00 2.73 0.00 2.41 1.02 -1.26 -4.93 118.68 118.65 2h1o s LEU 139 Ca 0.00 -1.31 0.00 0.00 0.02 0.00 0.00 54.13 52.84 2h1o s LEU 139 Cb 0.00 -1.14 0.00 0.00 0.02 0.00 0.00 46.19 45.07 2h1o s LEU 139 CO 0.00 -0.84 0.00 1.21 0.02 0.00 0.00 176.35 176.74