#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1h h HIS 2 N 0.00 0.00 0.00 6.34 2.07 -2.09 0.42 115.15 121.90 3h1h h HIS 2 Ca 0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 3h1h h HIS 2 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 3h1h h HIS 2 CO 0.00 0.00 -0.30 -0.91 -3.07 0.00 0.00 177.93 173.65 3h1h h ASN 3 N 0.00 0.00 -0.02 3.10 2.35 -2.12 -2.20 115.58 116.68 3h1h h ASN 3 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3h1h h ASN 3 Cb 1.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.08 3h1h h ASN 3 CO -0.00 0.30 0.00 0.47 -1.65 0.00 0.00 177.43 176.54 3h1h n ASP 4 N -4.01 0.57 -4.41 5.81 10.43 0.15 -4.81 116.55 120.28 3h1h n ASP 4 Ca -0.02 -2.01 -0.33 0.00 2.57 0.00 0.00 54.79 55.00 3h1h n ASP 4 Cb 0.36 -0.22 -0.14 0.00 1.84 0.00 0.00 41.12 42.96 3h1h n ASP 4 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3h1h s VAL 5 N -1.59 3.25 0.04 2.53 1.01 -0.83 -4.98 120.40 119.82 3h1h s VAL 5 Ca 0.02 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.42 3h1h s VAL 5 Cb 0.01 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 3h1h s VAL 5 CO 0.01 0.52 -0.08 0.42 0.00 0.00 0.00 175.10 175.98 3h1h s THR 6 N 0.26 0.54 0.12 3.92 -4.23 -1.26 -5.07 115.64 109.92 3h1h s THR 6 Ca -0.08 -1.01 -0.30 0.00 -1.18 0.00 0.00 61.69 59.12 3h1h s THR 6 Cb -0.15 -0.59 -0.07 0.00 1.34 0.00 0.00 72.50 73.03 3h1h s THR 6 CO 0.05 -0.33 1.15 -0.69 -0.54 0.00 0.00 174.62 174.26 3h1h s VAL 7 N -1.26 3.94 1.40 2.29 1.01 -1.26 -5.01 120.40 121.50 3h1h s VAL 7 Ca -0.09 1.52 -0.21 0.00 0.00 0.00 0.00 61.98 63.20 3h1h s VAL 7 Cb -0.09 -3.97 0.36 0.00 0.00 0.00 0.00 36.38 32.67 3h1h s VAL 7 CO 0.00 0.19 0.88 -2.65 0.00 0.00 0.00 175.10 173.52 3h1h n PRO 8 N 3.14 -4.23 -3.17 2.72 -0.02 -1.26 -4.94 135.00 127.24 3h1h n PRO 8 Ca 0.06 -1.25 -0.41 0.00 -2.02 0.00 0.00 63.50 59.88 3h1h n PRO 8 Cb 0.46 -1.97 -0.07 0.00 -0.02 0.00 0.00 33.50 31.91 3h1h n PRO 8 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3h1h s ASP 9 N -2.85 6.42 -0.27 2.55 2.15 -1.26 -4.94 116.67 118.47 3h1h s ASP 9 Ca 0.67 0.27 0.10 0.00 0.43 0.00 0.00 52.55 54.01 3h1h s ASP 9 Cb -0.15 -2.31 0.70 0.00 -0.30 0.00 0.00 42.92 40.86 3h1h s ASP 9 CO 0.58 -0.47 1.68 0.49 -0.17 0.00 0.00 175.17 177.28 3h1h n PHE 10 N 5.83 2.14 -0.37 -5.34 3.01 -1.26 -4.50 117.46 116.97 3h1h n PHE 10 Ca -0.03 -0.96 0.02 0.00 1.01 0.00 0.00 57.45 57.49 3h1h n PHE 10 Cb 0.49 -0.59 0.17 0.00 -0.01 0.00 0.00 39.48 39.54 3h1h n PHE 10 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3h1h h SER 11 N 2.79 1.05 -0.41 4.37 0.02 -1.95 0.16 113.55 119.59 3h1h h SER 11 Ca 0.17 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.24 3h1h h SER 11 Cb 2.09 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 64.39 3h1h h SER 11 CO 0.61 0.68 0.37 0.00 -1.14 0.00 0.00 176.83 177.35 3h1h h ALA 12 N 1.45 2.19 0.00 3.77 0.00 -2.03 -3.17 119.26 121.47 3h1h h ALA 12 Ca 0.43 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 3h1h h ALA 12 Cb 0.13 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3h1h h ALA 12 CO -0.16 -0.58 -1.32 0.66 0.00 0.00 0.00 179.25 177.84 3h1h n TYR 13 N -3.97 0.00 -1.28 0.00 4.01 0.03 -5.06 117.16 110.90 3h1h n TYR 13 Ca 0.07 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.45 3h1h n TYR 13 Cb 0.55 -0.19 0.07 0.00 -0.31 0.00 0.00 39.34 39.46 3h1h n TYR 13 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3h1h n ARG 14 N -1.90 0.34 -1.60 -0.72 1.74 0.36 -4.96 116.66 109.91 3h1h n ARG 14 Ca -0.04 0.16 -0.30 0.00 -0.77 0.00 0.00 57.85 56.89 3h1h n ARG 14 Cb 0.36 -1.90 0.08 0.00 -1.02 0.00 0.00 32.46 29.97 3h1h n ARG 14 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3h1h s ARG 15 N -2.85 2.39 0.15 5.56 0.52 -1.26 -4.92 118.95 118.53 3h1h s ARG 15 Ca 0.67 0.68 -0.23 0.00 -0.52 0.00 0.00 55.73 56.34 3h1h s ARG 15 Cb -0.35 -1.95 0.02 0.00 0.52 0.00 0.00 34.95 33.19 3h1h s ARG 15 CO 0.57 -1.42 1.63 1.49 0.02 0.00 0.00 175.30 177.58 3h1h h GLU 16 N -0.94 -0.26 -0.18 3.54 4.81 -1.99 -2.76 114.58 116.80 3h1h h GLU 16 Ca -0.46 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.80 3h1h h GLU 16 Cb 1.25 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 3h1h h GLU 16 CO 0.59 -0.17 0.12 -0.44 -0.73 0.00 0.00 179.01 178.38 3h1h h ASP 17 N -0.27 0.17 -0.88 1.04 3.32 -1.98 -2.55 116.42 115.26 3h1h h ASP 17 Ca 0.13 -0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.58 3h1h h ASP 17 Cb 0.47 -0.04 -0.32 0.00 0.22 0.00 0.00 39.33 39.67 3h1h h ASP 17 CO -0.38 0.12 0.33 1.33 -1.72 0.00 0.00 179.24 178.91 3h1h n VAL 18 N -4.51 3.22 -0.00 -1.35 0.24 -1.05 -4.51 118.33 110.37 3h1h n VAL 18 Ca -0.00 -3.19 -0.17 0.00 -2.04 0.00 0.00 64.34 58.95 3h1h n VAL 18 Cb 0.11 -1.03 -0.14 0.00 -1.47 0.00 0.00 33.84 31.31 3h1h n VAL 18 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 3h1h n MET 19 N -0.90 0.72 -3.04 7.34 0.00 -0.96 -4.70 117.12 115.57 3h1h n MET 19 Ca 0.55 0.28 -0.41 0.00 0.00 0.00 0.00 57.70 58.12 3h1h n MET 19 Cb 0.85 -1.74 -0.06 0.00 0.00 0.00 0.00 33.22 32.27 3h1h n MET 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3h1h s ASP 20 N -6.71 6.56 0.00 6.12 2.15 -1.26 -4.94 116.67 118.59 3h1h s ASP 20 Ca -0.16 0.51 0.08 0.00 0.43 0.00 0.00 52.55 53.41 3h1h s ASP 20 Cb 0.07 -2.36 0.47 0.00 -0.30 0.00 0.00 42.92 40.80 3h1h s ASP 20 CO 0.79 -0.54 0.90 0.00 -0.17 0.00 0.00 175.17 176.15 3h1h n ALA 21 N 6.03 1.83 -1.30 3.66 0.00 -1.26 -2.51 120.51 126.96 3h1h n ALA 21 Ca 0.01 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.48 3h1h n ALA 21 Cb 0.48 -1.13 0.13 0.00 0.00 0.00 0.00 19.45 18.94 3h1h n ALA 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h1h n THR 22 N -0.93 1.70 -4.74 0.00 -2.24 -1.26 -4.99 114.28 101.81 3h1h n THR 22 Ca 0.06 -2.17 -0.28 0.00 -2.27 0.00 0.00 64.05 59.39 3h1h n THR 22 Cb 0.03 -0.13 -0.17 0.00 -2.10 0.00 0.00 70.33 67.96 3h1h n THR 22 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3h1h s THR 23 N -2.56 1.47 0.16 4.28 2.01 -1.04 -5.09 115.64 114.86 3h1h s THR 23 Ca 0.30 -0.67 -0.34 0.00 0.31 0.00 0.00 61.69 61.29 3h1h s THR 23 Cb 0.27 -1.32 -0.14 0.00 0.01 0.00 0.00 72.50 71.32 3h1h s THR 23 CO 0.00 0.43 1.51 -0.24 -0.69 0.00 0.00 174.62 175.63 3h1h n SER 24 N 3.81 2.77 0.20 3.53 2.88 -1.26 -4.83 113.62 120.71 3h1h n SER 24 Ca -0.21 1.10 0.10 0.00 -1.33 0.00 0.00 58.87 58.53 3h1h n SER 24 Cb 0.52 -1.38 0.13 0.00 -0.75 0.00 0.00 64.21 62.73 3h1h n SER 24 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3h1h h SER 25 N 5.45 0.00 -0.38 -3.46 4.64 -1.93 -3.32 113.55 114.54 3h1h h SER 25 Ca -0.45 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 3h1h h SER 25 Cb 1.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 3h1h h SER 25 CO 0.85 0.10 0.23 1.56 -0.87 0.00 0.00 176.83 178.69 3h1h h GLN 26 N 0.00 0.55 -0.22 4.77 1.08 -1.99 -2.75 115.11 116.55 3h1h h GLN 26 Ca -0.00 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 3h1h h GLN 26 Cb 1.08 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.38 3h1h h GLN 26 CO 0.01 0.40 0.06 1.79 -0.95 0.00 0.00 178.83 180.14 3h1h h THR 27 N 0.56 1.11 -0.31 -0.54 1.35 -1.97 -2.12 112.91 110.99 3h1h h THR 27 Ca 0.15 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3h1h h THR 27 Cb 0.01 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.30 3h1h h THR 27 CO -0.03 0.13 0.00 -1.54 -0.25 0.00 0.00 175.52 173.83 3h1h n SER 28 N -4.42 3.31 0.26 5.36 3.41 -1.06 -4.50 113.62 115.98 3h1h n SER 28 Ca 0.00 -1.98 -0.16 0.00 -0.26 0.00 0.00 58.87 56.47 3h1h n SER 28 Cb 0.14 -0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 63.81 3h1h n SER 28 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3h1h h SER 29 N 4.44 -0.53 -0.91 4.04 4.64 -1.14 -1.82 113.55 122.27 3h1h h SER 29 Ca 0.00 -0.03 0.24 0.00 -0.47 0.00 0.00 61.79 61.53 3h1h h SER 29 Cb 0.97 0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 63.15 3h1h h SER 29 CO 0.00 -0.31 0.63 -0.33 -0.87 0.00 0.00 176.83 175.95 3h1h h GLU 30 N -0.73 0.19 0.19 4.77 5.08 -1.79 -0.34 114.58 121.95 3h1h h GLU 30 Ca -0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3h1h h GLU 30 Cb 0.53 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3h1h h GLU 30 CO 0.11 0.13 -0.09 -0.44 -1.00 0.00 0.00 179.01 177.71 3h1h h ASP 31 N 0.20 -0.21 -0.87 1.42 3.45 -1.78 0.44 116.42 119.06 3h1h h ASP 31 Ca 0.46 -0.32 0.14 0.00 0.43 0.00 0.00 57.03 57.74 3h1h h ASP 31 Cb 1.48 0.06 -0.09 0.00 -0.56 0.00 0.00 39.33 40.21 3h1h h ASP 31 CO -0.10 0.30 0.47 0.03 -1.57 0.00 0.00 179.24 178.37 3h1h h ARG 32 N -0.84 0.66 0.22 3.56 3.08 -0.34 0.67 114.38 121.40 3h1h h ARG 32 Ca -0.03 -0.04 -0.32 0.00 0.07 0.00 0.00 59.98 59.66 3h1h h ARG 32 Cb 0.52 -0.15 0.03 0.00 0.08 0.00 0.00 29.97 30.45 3h1h h ARG 32 CO 0.04 0.44 -1.41 0.87 -1.07 0.00 0.00 179.97 178.84 3h1h h LYS 33 N 0.68 0.53 -0.19 0.04 1.57 -1.19 -3.11 116.57 114.89 3h1h h LYS 33 Ca 0.47 -0.86 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3h1h h LYS 33 Cb 0.63 0.31 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 3h1h h LYS 33 CO -0.34 1.41 0.12 0.78 -0.57 0.00 0.00 179.45 180.85 3h1h h GLY 34 N 0.36 0.27 0.16 3.86 0.00 -0.24 0.76 103.07 108.24 3h1h h GLY 34 Ca -0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3h1h h GLY 34 CO 0.26 0.10 -0.08 -2.75 0.00 0.00 0.00 176.54 174.07 3h1h h PHE 35 N 0.26 -0.21 -0.82 5.60 3.57 -0.92 -0.58 116.94 123.85 3h1h h PHE 35 Ca 0.07 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.75 3h1h h PHE 35 Cb -0.02 0.07 -0.15 0.00 2.79 0.00 0.00 35.95 38.64 3h1h h PHE 35 CO 0.00 -0.13 -0.09 0.77 -2.23 0.00 0.00 178.31 176.64 3h1h h SER 36 N -0.35 -0.55 -0.33 0.41 0.02 -1.47 0.81 113.55 112.09 3h1h h SER 36 Ca -0.02 0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 3h1h h SER 36 Cb 0.17 0.44 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 3h1h h SER 36 CO 0.04 -0.25 0.04 1.88 -1.14 0.00 0.00 176.83 177.40 3h1h h TYR 37 N 0.04 0.68 -0.81 3.45 0.99 -0.92 -1.46 116.97 118.94 3h1h h TYR 37 Ca 0.43 -0.07 0.01 0.00 2.00 0.00 0.00 58.73 61.11 3h1h h TYR 37 Cb 0.75 -0.20 -0.04 0.00 1.00 0.00 0.00 36.73 38.24 3h1h h TYR 37 CO -0.54 0.62 0.53 1.25 -0.00 0.00 0.00 178.16 180.03 3h1h h LEU 38 N 0.63 0.92 0.21 3.88 5.85 0.22 0.71 115.31 127.73 3h1h h LEU 38 Ca 0.13 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3h1h h LEU 38 Cb 0.33 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3h1h h LEU 38 CO 0.01 0.66 -0.10 0.58 -0.34 0.00 0.00 178.44 179.25 3h1h h VAL 39 N 1.08 0.81 0.01 1.05 2.07 -0.21 -2.07 116.25 119.00 3h1h h VAL 39 Ca 0.30 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.76 3h1h h VAL 39 Cb -0.11 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3h1h h VAL 39 CO -0.07 0.02 -0.05 0.74 0.02 0.00 0.00 177.57 178.23 3h1h h THR 40 N -0.31 0.88 -0.93 2.57 2.02 -0.66 -1.10 112.91 115.38 3h1h h THR 40 Ca -0.03 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.35 3h1h h THR 40 Cb 0.24 0.88 -0.08 0.00 -1.74 0.00 0.00 68.15 67.46 3h1h h THR 40 CO 0.05 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.54 3h1h h ALA 41 N 0.89 2.09 -0.13 6.16 0.00 0.48 -0.66 119.26 128.10 3h1h h ALA 41 Ca 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3h1h h ALA 41 Cb 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3h1h h ALA 41 CO -0.04 -0.39 -0.03 1.15 0.00 0.00 0.00 179.25 179.94 3h1h h THR 42 N 0.49 1.29 -0.90 0.00 2.02 -0.58 -2.50 112.91 112.74 3h1h h THR 42 Ca 0.50 -0.97 0.17 0.00 0.77 0.00 0.00 66.41 66.88 3h1h h THR 42 Cb 1.11 1.67 -0.10 0.00 -1.74 0.00 0.00 68.15 69.09 3h1h h THR 42 CO -0.22 0.28 0.48 0.00 0.37 0.00 0.00 175.52 176.43 3h1h h ALA 43 N 0.70 1.41 0.13 6.16 0.00 0.07 -0.06 119.26 127.67 3h1h h ALA 43 Ca 0.03 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3h1h h ALA 43 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3h1h h ALA 43 CO 0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 179.25 179.07 3h1h h VAL 45 N -0.28 0.64 0.49 0.00 2.07 -0.72 0.75 116.25 119.20 3h1h h VAL 45 Ca -0.02 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3h1h h VAL 45 Cb 0.22 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3h1h h VAL 45 CO 0.03 0.03 -0.35 0.00 0.02 0.00 0.00 177.57 177.29 3h1h h ALA 46 N 1.43 -1.12 -0.68 1.67 0.00 -0.88 -0.88 119.26 118.80 3h1h h ALA 46 Ca 0.26 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.13 3h1h h ALA 46 Cb 0.38 0.51 -0.13 0.00 0.00 0.00 0.00 17.79 18.55 3h1h h ALA 46 CO -0.40 -1.11 -0.26 1.15 0.00 0.00 0.00 179.25 178.63 3h1h h THR 47 N -0.81 0.21 -0.27 0.00 2.02 -0.57 -0.38 112.91 113.10 3h1h h THR 47 Ca -0.06 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.18 3h1h h THR 47 Cb 0.66 0.21 -0.07 0.00 -1.74 0.00 0.00 68.15 67.21 3h1h h THR 47 CO 0.03 0.00 -0.22 0.00 0.37 0.00 0.00 175.52 175.70 3h1h h ALA 48 N 1.38 -0.07 -0.03 6.16 0.00 0.83 0.32 119.26 127.85 3h1h h ALA 48 Ca 0.30 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.31 3h1h h ALA 48 Cb 0.55 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3h1h h ALA 48 CO -0.74 -0.64 -0.40 -0.92 0.00 0.00 0.00 179.25 176.55 3h1h h TYR 49 N -0.21 -1.19 -0.41 0.00 3.20 0.33 0.38 116.97 119.08 3h1h h TYR 49 Ca 0.15 0.04 0.08 0.00 3.14 0.00 0.00 58.73 62.13 3h1h h TYR 49 Cb 0.44 0.52 -0.09 0.00 1.54 0.00 0.00 36.73 39.14 3h1h h TYR 49 CO -0.39 -0.42 -0.37 0.00 -1.64 0.00 0.00 178.16 175.34 3h1h h ALA 50 N -0.67 -0.27 -0.25 1.82 0.00 -0.64 -1.46 119.26 117.78 3h1h h ALA 50 Ca 0.01 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3h1h h ALA 50 Cb 0.53 0.78 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 3h1h h ALA 50 CO -0.28 -0.78 -0.11 0.00 0.00 0.00 0.00 179.25 178.08 3h1h h ALA 51 N 0.63 0.11 -0.51 0.00 0.00 0.05 -0.19 119.26 119.34 3h1h h ALA 51 Ca 0.16 0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.27 3h1h h ALA 51 Cb 0.56 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 3h1h h ALA 51 CO -0.56 -0.51 0.04 -0.22 0.00 0.00 0.00 179.25 178.00 3h1h h LYS 52 N -0.07 0.16 0.54 0.00 3.11 0.53 -0.68 116.57 120.16 3h1h h LYS 52 Ca 0.13 -0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.93 3h1h h LYS 52 Cb 0.26 -0.04 0.01 0.00 -1.00 0.00 0.00 32.23 31.46 3h1h h LYS 52 CO -0.30 0.10 -0.26 -0.91 -2.81 0.00 0.00 179.45 175.28 3h1h h ASN 53 N 0.16 -0.62 -1.01 4.20 2.35 -0.49 0.27 115.58 120.44 3h1h h ASN 53 Ca 0.26 -0.04 0.15 0.00 -0.55 0.00 0.00 56.30 56.11 3h1h h ASN 53 Cb 0.39 0.16 -0.09 0.00 0.05 0.00 0.00 38.32 38.82 3h1h h ASN 53 CO -0.40 -0.32 0.63 0.58 -1.65 0.00 0.00 177.43 176.27 3h1h h VAL 54 N -0.91 0.84 -0.06 2.81 2.07 -0.86 0.35 116.25 120.50 3h1h h VAL 54 Ca -0.07 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 3h1h h VAL 54 Cb 0.62 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3h1h h VAL 54 CO 0.12 0.17 -0.04 0.58 0.02 0.00 0.00 177.57 178.42 3h1h h VAL 55 N 0.92 1.34 -0.40 2.57 2.07 -1.06 -0.29 116.25 121.39 3h1h h VAL 55 Ca 0.53 -1.08 0.08 0.00 0.82 0.00 0.00 66.70 67.04 3h1h h VAL 55 Cb 0.64 1.94 -0.07 0.00 -1.52 0.00 0.00 31.29 32.27 3h1h h VAL 55 CO -0.31 0.30 -0.06 0.74 0.02 0.00 0.00 177.57 178.26 3h1h h THR 56 N -0.27 0.63 0.63 2.57 2.02 0.09 0.56 112.91 119.14 3h1h h THR 56 Ca 0.01 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3h1h h THR 56 Cb 0.49 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3h1h h THR 56 CO 0.01 0.01 -0.47 1.56 0.37 0.00 0.00 175.52 177.00 3h1h h GLN 57 N 0.04 -1.02 -0.40 6.66 4.20 -0.24 0.04 115.11 124.38 3h1h h GLN 57 Ca 0.20 0.07 0.05 0.00 0.06 0.00 0.00 58.65 59.02 3h1h h GLN 57 Cb 0.29 0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 3h1h h GLN 57 CO -0.39 -0.68 0.15 0.74 -0.67 0.00 0.00 178.83 177.98 3h1h h PHE 58 N -1.06 0.27 -0.28 2.96 0.05 -0.65 -1.66 116.94 116.57 3h1h h PHE 58 Ca -0.08 0.02 0.06 0.00 3.82 0.00 0.00 57.97 61.79 3h1h h PHE 58 Cb 0.88 -0.06 -0.06 0.00 2.00 0.00 0.00 35.95 38.71 3h1h h PHE 58 CO -0.16 0.11 -0.13 0.82 -0.18 0.00 0.00 178.31 178.76 3h1h h ILE 59 N 0.32 0.59 0.00 -0.55 1.08 0.35 0.43 117.51 119.72 3h1h h ILE 59 Ca 0.18 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.65 3h1h h ILE 59 Cb 0.16 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 3h1h h ILE 59 CO -0.18 0.00 0.00 -1.54 -0.69 0.00 0.00 178.15 175.74 3h1h n SER 60 N -5.30 0.00 0.00 1.72 3.41 -0.02 -2.02 113.62 111.40 3h1h n SER 60 Ca -0.00 0.49 0.07 0.00 -0.26 0.00 0.00 58.87 59.17 3h1h n SER 60 Cb 0.22 -0.49 0.37 0.00 -0.26 0.00 0.00 64.21 64.05 3h1h n SER 60 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3h1h n SER 61 N -1.49 0.00 -0.01 4.04 3.41 0.14 -2.49 113.62 117.23 3h1h n SER 61 Ca 0.03 0.12 0.10 0.00 -0.26 0.00 0.00 58.87 58.85 3h1h n SER 61 Cb 0.15 -0.31 -0.14 0.00 -0.26 0.00 0.00 64.21 63.65 3h1h n SER 61 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3h1h n LEU 62 N -1.31 0.17 -4.85 1.04 4.77 -0.86 -4.98 117.00 110.99 3h1h n LEU 62 Ca 0.07 -0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.66 3h1h n LEU 62 Cb 0.12 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.33 3h1h n LEU 62 CO 0.12 0.04 0.76 -0.94 -1.33 0.00 0.00 177.39 176.03 3h1h s SER 63 N -3.96 3.96 -0.07 -1.43 1.04 -1.04 -4.92 113.70 107.28 3h1h s SER 63 Ca -0.04 0.85 -0.40 0.00 0.48 0.00 0.00 55.95 56.83 3h1h s SER 63 Cb 0.13 -1.36 -0.19 0.00 0.10 0.00 0.00 66.02 64.70 3h1h s SER 63 CO 0.80 -2.26 1.28 0.00 0.98 0.00 0.00 173.24 174.04 3h1h n ALA 64 N -3.56 -2.30 -1.82 5.32 0.00 -1.26 -4.95 120.51 111.93 3h1h n ALA 64 Ca 0.08 0.55 -0.30 0.00 0.00 0.00 0.00 53.44 53.76 3h1h n ALA 64 Cb 0.60 -1.91 0.06 0.00 0.00 0.00 0.00 19.45 18.20 3h1h n ALA 64 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3h1h s SER 65 N 0.84 5.13 0.22 0.00 1.04 -1.26 -4.76 113.70 114.91 3h1h s SER 65 Ca 0.92 1.11 -0.11 0.00 0.48 0.00 0.00 55.95 58.35 3h1h s SER 65 Cb -1.20 -1.85 0.30 0.00 0.10 0.00 0.00 66.02 63.37 3h1h s SER 65 CO 0.58 -1.54 1.65 0.00 0.98 0.00 0.00 173.24 174.91 3h1h h ALA 66 N -0.80 0.58 0.00 5.32 0.00 -1.99 0.17 119.26 122.55 3h1h h ALA 66 Ca -0.46 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3h1h h ALA 66 Cb 1.27 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 3h1h h ALA 66 CO 0.63 -0.41 -0.15 0.38 0.00 0.00 0.00 179.25 179.70 3h1h h ASP 67 N 0.08 0.00 0.16 0.00 2.03 -1.99 -1.67 116.42 115.02 3h1h h ASP 67 Ca 0.33 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.41 3h1h h ASP 67 Cb 0.54 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.06 3h1h h ASP 67 CO -0.59 0.15 -1.02 0.58 -1.03 0.00 0.00 179.24 177.33 3h1h h VAL 68 N 0.00 1.40 0.00 4.15 2.07 -1.11 -3.19 116.25 119.58 3h1h h VAL 68 Ca -0.00 -2.55 -0.00 0.00 0.82 0.00 0.00 66.70 64.97 3h1h h VAL 68 Cb 0.29 3.11 -0.00 0.00 -1.52 0.00 0.00 31.29 33.17 3h1h h VAL 68 CO 0.02 0.73 -0.02 -0.07 0.02 0.00 0.00 177.57 178.26 3h1h h LEU 69 N -0.27 0.00 -1.29 2.57 3.38 -0.87 -1.32 115.31 117.51 3h1h h LEU 69 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3h1h h LEU 69 Cb 1.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.50 3h1h h LEU 69 CO 0.16 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.71 3h1h h ALA 70 N 1.98 1.00 -0.19 1.53 0.00 -1.29 -2.00 119.26 120.30 3h1h h ALA 70 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3h1h h ALA 70 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3h1h h ALA 70 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3h1h n LEU 71 N -2.74 2.40 -0.03 0.00 4.77 -0.52 -4.71 117.00 116.17 3h1h n LEU 71 Ca 0.01 -1.68 -0.08 0.00 -0.03 0.00 0.00 56.01 54.23 3h1h n LEU 71 Cb 0.25 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 3h1h n LEU 71 CO 0.23 0.57 0.76 -1.28 -1.33 0.00 0.00 177.39 176.34 3h1h h SER 72 N 1.61 -0.49 -4.44 -1.43 0.87 -1.14 -3.40 113.55 105.12 3h1h h SER 72 Ca 0.00 0.10 -0.36 0.00 -1.23 0.00 0.00 61.79 60.31 3h1h h SER 72 Cb 0.58 0.25 -0.24 0.00 -0.44 0.00 0.00 62.40 62.55 3h1h h SER 72 CO 0.00 -0.19 -0.76 -1.59 -0.53 0.00 0.00 176.83 173.76 3h1h s LYS 73 N -6.15 0.68 -0.03 2.24 -2.85 -1.26 -4.66 119.74 107.71 3h1h s LYS 73 Ca -0.14 -0.69 0.06 0.00 -1.00 0.00 0.00 55.97 54.20 3h1h s LYS 73 Cb 0.11 -0.59 -0.02 0.00 -2.06 0.00 0.00 37.83 35.27 3h1h s LYS 73 CO 0.68 0.14 -0.21 -1.50 0.10 0.00 0.00 175.35 174.56 3h1h s ILE 74 N -0.99 2.46 -0.27 3.79 2.07 -0.92 -4.98 121.20 122.36 3h1h s ILE 74 Ca -0.03 -0.95 -0.07 0.00 -1.41 0.00 0.00 60.65 58.19 3h1h s ILE 74 Cb -0.08 -1.91 -0.01 0.00 0.13 0.00 0.00 42.46 40.60 3h1h s ILE 74 CO 0.01 0.58 0.06 -1.83 -1.91 0.00 0.00 174.94 171.85 3h1h s GLU 75 N -0.63 3.32 -0.17 3.50 -1.05 -1.26 -1.35 118.70 121.05 3h1h s GLU 75 Ca 0.10 -0.70 -0.07 0.00 -0.15 0.00 0.00 54.97 54.15 3h1h s GLU 75 Cb -0.10 -3.30 -0.04 0.00 -0.44 0.00 0.00 34.13 30.24 3h1h s GLU 75 CO -0.00 -0.33 0.06 0.42 0.95 0.00 0.00 175.26 176.37 3h1h s ILE 76 N 1.53 4.82 -0.57 1.83 1.01 0.25 -4.90 121.20 125.17 3h1h s ILE 76 Ca 0.04 -0.03 -0.25 0.00 0.00 0.00 0.00 60.65 60.41 3h1h s ILE 76 Cb -0.16 -3.16 0.04 0.00 0.01 0.00 0.00 42.46 39.19 3h1h s ILE 76 CO 0.02 0.48 1.02 -0.75 0.00 0.00 0.00 174.94 175.70 3h1h s LYS 77 N 0.21 3.35 0.29 2.79 2.20 -1.26 -0.86 119.74 126.46 3h1h s LYS 77 Ca 0.04 -0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.48 3h1h s LYS 77 Cb -0.12 -4.06 0.50 0.00 -1.51 0.00 0.00 37.83 32.64 3h1h s LYS 77 CO 0.00 -1.58 1.89 -0.07 -0.36 0.00 0.00 175.35 175.24 3h1h h LEU 78 N 11.30 0.95 -4.61 5.43 3.38 -1.80 -3.26 115.31 126.69 3h1h h LEU 78 Ca -0.26 0.01 -0.47 0.00 0.09 0.00 0.00 57.88 57.25 3h1h h LEU 78 Cb 1.07 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 3h1h h LEU 78 CO 1.12 0.59 1.86 -1.54 0.09 0.00 0.00 178.44 180.57 3h1h n SER 79 N -4.51 7.18 0.00 -0.43 3.41 -1.26 -2.97 113.62 115.04 3h1h n SER 79 Ca 0.15 -2.61 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 3h1h n SER 79 Cb 0.22 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 62.69 3h1h n SER 79 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3h1h n ASP 80 N 2.87 0.00 -4.38 4.04 2.03 -1.23 -5.10 116.55 114.77 3h1h n ASP 80 Ca 0.62 -0.57 -0.38 0.00 0.52 0.00 0.00 54.79 54.97 3h1h n ASP 80 Cb 0.53 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.81 3h1h n ASP 80 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3h1h s ILE 81 N 0.00 4.31 0.68 5.18 1.01 -1.16 -5.09 121.20 126.13 3h1h s ILE 81 Ca 0.00 -0.63 -0.16 0.00 0.00 0.00 0.00 60.65 59.86 3h1h s ILE 81 Cb 0.00 -3.26 0.01 0.00 0.01 0.00 0.00 42.46 39.22 3h1h s ILE 81 CO 0.00 0.01 1.16 -2.16 0.00 0.00 0.00 174.94 173.95 3h1h s PRO 82 N 1.55 2.56 0.37 2.79 0.04 -1.26 -4.91 135.00 136.15 3h1h s PRO 82 Ca 0.03 1.62 -0.27 0.00 0.04 0.00 0.00 61.00 62.41 3h1h s PRO 82 Cb -0.18 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.37 3h1h s PRO 82 CO 0.05 -1.48 1.33 -1.21 0.04 0.00 0.00 177.00 175.73 3h1h s GLU 83 N -3.87 4.14 0.00 4.56 2.02 -1.26 -3.61 118.70 120.68 3h1h s GLU 83 Ca 0.72 2.24 0.00 0.00 0.02 0.00 0.00 54.97 57.95 3h1h s GLU 83 Cb -0.26 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.06 3h1h s GLU 83 CO 0.41 -0.38 0.00 0.41 0.02 0.00 0.00 175.26 175.72 3h1h n GLY 84 N 0.69 1.11 3.70 -1.39 0.00 0.72 -4.86 105.19 105.17 3h1h n GLY 84 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3h1h n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1h s LYS 85 N 0.00 4.21 -0.04 1.61 -0.14 -1.24 -4.60 119.74 119.54 3h1h s LYS 85 Ca 0.00 2.33 -0.16 0.00 -1.36 0.00 0.00 55.97 56.78 3h1h s LYS 85 Cb 0.00 -3.36 -0.05 0.00 -1.68 0.00 0.00 37.83 32.74 3h1h s LYS 85 CO 0.00 -0.66 0.43 1.21 -0.76 0.00 0.00 175.35 175.57 3h1h s ASN 86 N 1.71 6.75 0.02 2.83 2.47 -1.26 -3.59 114.94 123.87 3h1h s ASN 86 Ca 0.71 0.90 0.07 0.00 0.42 0.00 0.00 52.86 54.96 3h1h s ASN 86 Cb -0.42 -2.26 -0.02 0.00 -1.45 0.00 0.00 41.25 37.10 3h1h s ASN 86 CO 0.32 0.21 -0.21 -0.69 -3.72 0.00 0.00 177.10 173.01 3h1h s VAL 87 N -0.45 1.66 -0.06 -5.21 1.01 -1.04 -5.00 120.40 111.31 3h1h s VAL 87 Ca 0.24 -1.05 0.06 0.00 0.00 0.00 0.00 61.98 61.22 3h1h s VAL 87 Cb -0.16 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 3h1h s VAL 87 CO 0.12 0.33 -0.25 0.00 0.00 0.00 0.00 175.10 175.30 3h1h s ALA 88 N -0.65 2.15 0.22 5.51 0.00 -1.26 -1.02 121.76 126.70 3h1h s ALA 88 Ca 0.08 -1.04 0.09 0.00 0.00 0.00 0.00 51.96 51.09 3h1h s ALA 88 Cb -0.08 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 3h1h s ALA 88 CO 0.01 0.41 -0.16 -0.06 0.00 0.00 0.00 175.76 175.95 3h1h s PHE 89 N -0.13 1.85 -0.19 0.00 0.40 -0.40 -4.90 117.98 114.61 3h1h s PHE 89 Ca -0.04 -0.51 -0.19 0.00 -0.60 0.00 0.00 56.93 55.59 3h1h s PHE 89 Cb -0.14 -0.85 -0.03 0.00 0.51 0.00 0.00 43.02 42.51 3h1h s PHE 89 CO 0.04 0.43 0.56 0.21 0.70 0.00 0.00 175.22 177.16 3h1h s LYS 90 N -3.51 4.21 -0.09 0.44 2.20 -1.26 0.27 119.74 122.00 3h1h s LYS 90 Ca 0.23 0.50 -0.03 0.00 -0.36 0.00 0.00 55.97 56.31 3h1h s LYS 90 Cb -0.02 -3.56 0.04 0.00 -1.51 0.00 0.00 37.83 32.78 3h1h s LYS 90 CO 0.09 -0.15 0.06 -0.46 -0.36 0.00 0.00 175.35 174.52 3h1h s TRP 91 N 1.64 0.24 -1.32 4.03 -0.00 -0.84 -4.86 118.94 117.84 3h1h s TRP 91 Ca 0.26 -0.02 -0.05 0.00 -0.00 0.00 0.00 56.10 56.29 3h1h s TRP 91 Cb -0.16 -0.61 0.01 0.00 -0.00 0.00 0.00 33.47 32.71 3h1h s TRP 91 CO 0.10 -0.32 1.04 0.54 -0.00 0.00 0.00 176.95 178.31 3h1h n ARG 92 N 5.26 -6.87 -0.71 5.86 1.74 -1.26 -2.33 116.66 118.35 3h1h n ARG 92 Ca -0.05 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.82 3h1h n ARG 92 Cb 0.50 -5.75 0.00 0.00 -1.02 0.00 0.00 32.46 26.18 3h1h n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h1h n GLY 93 N -1.61 0.41 3.15 -0.13 0.00 -1.26 -4.97 105.19 100.79 3h1h n GLY 93 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 3h1h n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1h s LYS 94 N -0.59 1.00 0.24 1.61 1.02 -0.98 -5.12 119.74 116.91 3h1h s LYS 94 Ca 0.00 -0.76 -0.31 0.00 0.02 0.00 0.00 55.97 54.92 3h1h s LYS 94 Cb 0.00 -1.01 -0.13 0.00 -0.52 0.00 0.00 37.83 36.16 3h1h s LYS 94 CO 0.00 0.25 1.37 -2.30 -0.92 0.00 0.00 175.35 173.76 3h1h n PRO 95 N 1.96 1.97 -4.05 -1.68 -0.02 -1.26 -1.98 135.00 129.93 3h1h n PRO 95 Ca -0.18 0.70 -0.33 0.00 -2.02 0.00 0.00 63.50 61.67 3h1h n PRO 95 Cb 0.55 -2.33 -0.15 0.00 -0.02 0.00 0.00 33.50 31.54 3h1h n PRO 95 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3h1h s LEU 96 N 0.06 2.90 -0.24 2.45 2.96 0.14 0.27 118.68 127.22 3h1h s LEU 96 Ca 0.67 -0.96 -0.19 0.00 -0.22 0.00 0.00 54.13 53.43 3h1h s LEU 96 Cb -0.66 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 3h1h s LEU 96 CO 0.51 -0.10 0.57 -0.36 -1.32 0.00 0.00 176.35 175.64 3h1h s PHE 97 N 1.24 3.30 -0.32 5.38 0.08 0.13 -1.27 117.98 126.52 3h1h s PHE 97 Ca -0.01 0.75 0.02 0.00 0.12 0.00 0.00 56.93 57.80 3h1h s PHE 97 Cb -0.16 -2.76 0.10 0.00 -0.57 0.00 0.00 43.02 39.62 3h1h s PHE 97 CO -0.08 -0.26 0.06 0.08 -0.10 0.00 0.00 175.22 174.92 3h1h s VAL 98 N 2.24 1.70 -0.03 -0.44 1.01 -0.19 0.40 120.40 125.09 3h1h s VAL 98 Ca 0.24 -1.91 -0.00 0.00 0.00 0.00 0.00 61.98 60.31 3h1h s VAL 98 Cb -0.16 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 3h1h s VAL 98 CO 0.09 -0.59 0.03 -0.60 0.00 0.00 0.00 175.10 174.03 3h1h s ARG 99 N 1.21 2.93 -0.42 2.72 3.52 0.03 -2.49 118.95 126.45 3h1h s ARG 99 Ca 0.09 -0.51 -0.15 0.00 -0.13 0.00 0.00 55.73 55.03 3h1h s ARG 99 Cb -0.18 -2.77 0.03 0.00 -1.56 0.00 0.00 34.95 30.47 3h1h s ARG 99 CO -0.14 0.65 0.31 -1.58 -0.81 0.00 0.00 175.30 173.73 3h1h s HIS 100 N -1.07 3.24 -0.09 5.12 5.65 -1.24 -2.04 115.29 124.87 3h1h s HIS 100 Ca 0.19 -0.65 -0.30 0.00 0.25 0.00 0.00 55.06 54.55 3h1h s HIS 100 Cb -0.12 -2.66 -0.03 0.00 -1.18 0.00 0.00 32.58 28.59 3h1h s HIS 100 CO 0.09 -0.62 1.36 1.03 -0.65 0.00 0.00 174.74 175.95 3h1h s ARG 101 N 1.67 4.25 0.00 2.88 0.52 0.26 0.26 118.95 128.79 3h1h s ARG 101 Ca 0.05 1.83 0.00 0.00 -0.52 0.00 0.00 55.73 57.09 3h1h s ARG 101 Cb -0.20 -3.73 0.00 0.00 0.52 0.00 0.00 34.95 31.54 3h1h s ARG 101 CO 0.09 -0.66 0.08 0.25 0.02 0.00 0.00 175.30 175.08 3h1h n THR 102 N 5.11 0.00 0.00 0.02 -2.24 -1.26 -4.61 114.28 111.30 3h1h n THR 102 Ca 0.14 0.40 0.00 0.00 -2.27 0.00 0.00 64.05 62.32 3h1h n THR 102 Cb 0.44 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 3h1h n THR 102 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h1h n GLN 103 N -0.12 1.66 -1.25 -0.78 6.02 -1.26 -4.90 117.38 116.74 3h1h n GLN 103 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 3h1h n GLN 103 Cb 0.00 -0.26 0.13 0.00 1.02 0.00 0.00 30.24 31.13 3h1h n GLN 103 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h1h n ALA 104 N -0.24 5.21 -0.04 -1.58 0.00 -1.26 -4.43 120.51 118.17 3h1h n ALA 104 Ca 0.00 -3.32 -0.09 0.00 0.00 0.00 0.00 53.44 50.04 3h1h n ALA 104 Cb 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 3h1h n ALA 104 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h1h n GLU 105 N -1.00 0.17 0.00 0.00 1.02 -1.26 -3.31 120.64 116.25 3h1h n GLU 105 Ca 0.48 0.07 0.09 0.00 -0.02 0.00 0.00 57.16 57.78 3h1h n GLU 105 Cb 1.05 -0.79 0.52 0.00 -0.02 0.00 0.00 31.44 32.20 3h1h n GLU 105 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3h1h n ILE 106 N -3.35 0.00 0.00 -3.67 5.41 -1.26 -2.07 119.36 114.42 3h1h n ILE 106 Ca -0.16 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.59 3h1h n ILE 106 Cb 0.61 -0.38 -0.00 0.00 -0.71 0.00 0.00 39.64 39.16 3h1h n ILE 106 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3h1h n ASN 107 N -0.81 0.31 0.27 4.38 4.13 -1.26 -4.30 115.26 117.98 3h1h n ASN 107 Ca 0.13 0.04 0.12 0.00 1.68 0.00 0.00 54.58 56.55 3h1h n ASN 107 Cb 0.06 -0.18 0.75 0.00 -1.54 0.00 0.00 39.78 38.87 3h1h n ASN 107 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 3h1h h GLN 108 N -0.05 0.00 -0.14 3.52 4.15 -1.67 -2.44 115.11 118.49 3h1h h GLN 108 Ca 0.00 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.27 3h1h h GLN 108 Cb 0.05 0.00 -0.21 0.00 0.21 0.00 0.00 27.48 27.54 3h1h h GLN 108 CO 0.00 0.07 -0.75 0.39 -1.93 0.00 0.00 178.83 176.61 3h1h n GLU 109 N -3.95 1.40 0.00 1.69 -0.58 -0.88 -4.46 120.64 113.86 3h1h n GLU 109 Ca -0.03 -3.05 0.00 0.00 -0.42 0.00 0.00 57.16 53.66 3h1h n GLU 109 Cb 0.16 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 3h1h n GLU 109 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h1h n ALA 110 N -0.54 0.00 0.28 0.62 0.00 -1.15 -4.62 120.51 115.10 3h1h n ALA 110 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.64 3h1h n ALA 110 Cb 0.87 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.31 3h1h n ALA 110 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h1h n GLU 111 N 0.00 3.55 -1.60 0.00 1.02 -0.93 -4.93 120.64 117.76 3h1h n GLU 111 Ca 0.00 -0.26 -0.51 0.00 -0.02 0.00 0.00 57.16 56.37 3h1h n GLU 111 Cb 0.11 -0.88 -0.06 0.00 -0.02 0.00 0.00 31.44 30.59 3h1h n GLU 111 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3h1h n VAL 112 N -0.70 0.01 -3.31 2.62 0.24 -1.26 -4.90 118.33 111.03 3h1h n VAL 112 Ca 0.02 -0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 61.87 3h1h n VAL 112 Cb 0.11 -0.92 -0.00 0.00 -1.47 0.00 0.00 33.84 31.56 3h1h n VAL 112 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3h1h s ASP 113 N 0.60 7.24 -0.77 -1.34 -1.08 -1.26 -4.95 116.67 115.11 3h1h s ASP 113 Ca 0.84 -3.45 -0.06 0.00 -0.52 0.00 0.00 52.55 49.36 3h1h s ASP 113 Cb -0.92 -2.23 0.20 0.00 -1.46 0.00 0.00 42.92 38.51 3h1h s ASP 113 CO 0.46 -0.36 0.65 -0.69 0.52 0.00 0.00 175.17 175.75 3h1h s VAL 114 N -0.88 4.56 0.00 1.11 1.01 -1.26 -5.01 120.40 119.92 3h1h s VAL 114 Ca 0.30 -3.03 0.00 0.00 0.00 0.00 0.00 61.98 59.25 3h1h s VAL 114 Cb -0.09 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3h1h s VAL 114 CO -0.08 -0.98 0.22 -1.20 0.00 0.00 0.00 175.10 173.06 3h1h n SER 115 N 3.34 0.00 -4.61 3.32 7.64 -1.26 -4.25 113.62 117.81 3h1h n SER 115 Ca 0.13 0.22 -0.42 0.00 1.01 0.00 0.00 58.87 59.81 3h1h n SER 115 Cb 0.40 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.56 3h1h n SER 115 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3h1h s LYS 116 N -0.54 3.88 0.35 1.43 3.01 -1.26 -5.04 119.74 121.56 3h1h s LYS 116 Ca 0.00 0.59 0.03 0.00 -1.01 0.00 0.00 55.97 55.58 3h1h s LYS 116 Cb 0.00 -3.78 -0.02 0.00 -1.01 0.00 0.00 37.83 33.02 3h1h s LYS 116 CO 0.00 -0.86 0.52 -1.17 0.51 0.00 0.00 175.35 174.35 3h1h s LEU 117 N 3.31 3.98 0.03 3.17 2.96 -1.26 -5.02 118.68 125.85 3h1h s LEU 117 Ca 0.36 0.20 0.23 0.00 -0.22 0.00 0.00 54.13 54.70 3h1h s LEU 117 Cb -0.13 -3.06 0.06 0.00 0.50 0.00 0.00 46.19 43.56 3h1h s LEU 117 CO 0.16 -0.38 1.06 -1.14 -1.32 0.00 0.00 176.35 174.74 3h1h n ARG 118 N -1.75 0.18 -3.63 1.98 0.63 -1.26 -4.80 116.66 108.01 3h1h n ARG 118 Ca -0.03 -0.01 -0.13 0.00 -0.92 0.00 0.00 57.85 56.76 3h1h n ARG 118 Cb 0.57 -1.55 -0.13 0.00 0.45 0.00 0.00 32.46 31.80 3h1h n ARG 118 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3h1h s ASP 119 N -3.56 0.41 -0.13 6.15 -1.08 -1.26 -4.88 116.67 112.33 3h1h s ASP 119 Ca 0.06 0.51 -0.21 0.00 -0.52 0.00 0.00 52.55 52.39 3h1h s ASP 119 Cb 0.15 0.74 -0.25 0.00 -1.46 0.00 0.00 42.92 42.10 3h1h s ASP 119 CO 0.80 -0.25 1.35 -0.81 0.52 0.00 0.00 175.17 176.78 3h1h n PRO 120 N 5.35 0.01 -2.98 4.34 -0.04 -1.26 -4.85 135.00 135.57 3h1h n PRO 120 Ca -0.06 -0.78 -0.44 0.00 -0.04 0.00 0.00 63.50 62.18 3h1h n PRO 120 Cb 0.50 -2.22 -0.04 0.00 -0.04 0.00 0.00 33.50 31.69 3h1h n PRO 120 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 3h1h s GLN 121 N 6.09 3.12 -0.26 0.54 2.00 -1.26 -5.00 119.66 124.89 3h1h s GLN 121 Ca 0.50 -0.90 0.03 0.00 -2.00 0.00 0.00 55.36 52.98 3h1h s GLN 121 Cb 0.08 -4.19 0.06 0.00 0.80 0.00 0.00 33.01 29.76 3h1h s GLN 121 CO 0.22 -1.60 -0.09 -1.58 -0.50 0.00 0.00 175.29 171.75 3h1h s HIS 122 N 3.43 3.10 0.14 1.67 2.46 -1.26 -5.00 115.29 119.83 3h1h s HIS 122 Ca 0.19 -2.25 0.07 0.00 0.47 0.00 0.00 55.06 53.54 3h1h s HIS 122 Cb -0.19 -1.92 0.38 0.00 -0.13 0.00 0.00 32.58 30.73 3h1h s HIS 122 CO 0.11 -0.86 1.04 -0.25 -2.47 0.00 0.00 174.74 172.30 3h1h n ASP 123 N 4.47 0.18 -0.24 9.88 10.43 -1.26 0.11 116.55 140.13 3h1h n ASP 123 Ca -0.12 0.41 0.11 0.00 2.57 0.00 0.00 54.79 57.76 3h1h n ASP 123 Cb 0.42 -0.27 0.06 0.00 1.84 0.00 0.00 41.12 43.17 3h1h n ASP 123 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3h1h n LEU 124 N -1.89 1.35 0.11 0.64 4.77 -1.26 -3.58 117.00 117.14 3h1h n LEU 124 Ca -0.00 -0.50 -0.05 0.00 -0.03 0.00 0.00 56.01 55.42 3h1h n LEU 124 Cb 0.51 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 3h1h n LEU 124 CO 0.03 0.28 0.16 0.44 -1.33 0.00 0.00 177.39 176.96 3h1h h ASP 125 N 1.17 -0.30 -1.61 -1.43 3.45 0.41 -3.43 116.42 114.69 3h1h h ASP 125 Ca 0.00 0.01 -0.48 0.00 0.43 0.00 0.00 57.03 56.99 3h1h h ASP 125 Cb 0.60 0.08 -0.34 0.00 -0.56 0.00 0.00 39.33 39.11 3h1h h ASP 125 CO 0.00 0.10 -1.00 0.54 -1.57 0.00 0.00 179.24 177.31 3h1h n ARG 126 N -4.66 0.78 0.00 3.56 1.74 -1.25 -5.09 116.66 111.74 3h1h n ARG 126 Ca -0.04 -2.96 0.00 0.00 -0.77 0.00 0.00 57.85 54.07 3h1h n ARG 126 Cb 0.14 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 3h1h n ARG 126 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3h1h n VAL 127 N 1.20 0.00 0.00 1.55 0.31 -1.24 -4.97 118.33 115.18 3h1h n VAL 127 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 3h1h n VAL 127 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 3h1h n VAL 127 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3h1h n LYS 128 N 0.00 0.00 -1.37 5.55 3.00 -1.26 -4.94 118.16 119.14 3h1h n LYS 128 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 3h1h n LYS 128 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3h1h n LYS 128 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3h1h n LYS 129 N 0.00 0.25 0.00 1.64 5.02 -1.26 -5.01 118.16 118.80 3h1h n LYS 129 Ca 0.00 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3h1h n LYS 129 Cb 0.00 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 3h1h n LYS 129 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3h1h n PRO 130 N 0.98 0.00 0.00 1.97 -0.04 -1.26 -4.00 135.00 132.65 3h1h n PRO 130 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 3h1h n PRO 130 Cb 0.39 -0.20 0.00 0.00 -0.04 0.00 0.00 33.50 33.65 3h1h n PRO 130 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3h1h n GLU 131 N 0.00 0.00 -4.22 0.54 0.00 -1.26 -4.49 120.64 111.21 3h1h n GLU 131 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.83 3h1h n GLU 131 Cb 0.00 -1.05 -0.16 0.00 0.00 0.00 0.00 31.44 30.23 3h1h n GLU 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3h1h s TRP 132 N -1.84 2.77 -0.13 -1.84 0.23 -1.26 0.91 118.94 117.79 3h1h s TRP 132 Ca 0.00 -1.57 0.01 0.00 -2.03 0.00 0.00 56.10 52.51 3h1h s TRP 132 Cb 0.00 -1.91 0.02 0.00 0.03 0.00 0.00 33.47 31.61 3h1h s TRP 132 CO 0.00 -0.77 -0.14 0.54 0.96 0.00 0.00 176.95 177.55 3h1h s VAL 133 N 1.21 1.45 -0.19 4.03 0.11 -0.87 -4.64 120.40 121.51 3h1h s VAL 133 Ca 0.03 -0.58 0.01 0.00 -2.93 0.00 0.00 61.98 58.51 3h1h s VAL 133 Cb -0.13 -1.36 0.03 0.00 -1.53 0.00 0.00 36.38 33.38 3h1h s VAL 133 CO -0.11 0.44 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.31 3h1h s ILE 134 N 1.32 1.90 0.22 7.04 1.01 -1.26 -0.79 121.20 130.65 3h1h s ILE 134 Ca 0.00 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.69 3h1h s ILE 134 Cb -0.14 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 3h1h s ILE 134 CO -0.07 0.36 -0.05 -0.76 0.00 0.00 0.00 174.94 174.42 3h1h s LEU 135 N 1.32 2.37 -0.49 2.97 1.43 0.16 -4.72 118.68 121.73 3h1h s LEU 135 Ca 0.02 -1.14 -0.21 0.00 -1.03 0.00 0.00 54.13 51.77 3h1h s LEU 135 Cb -0.15 -0.42 0.04 0.00 0.03 0.00 0.00 46.19 45.70 3h1h s LEU 135 CO -0.10 -0.39 0.70 -0.69 0.23 0.00 0.00 176.35 176.09 3h1h s VAL 136 N -3.26 4.76 0.00 -1.59 1.01 -0.93 0.22 120.40 120.62 3h1h s VAL 136 Ca 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3h1h s VAL 136 Cb 0.04 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.10 3h1h s VAL 136 CO 0.07 -0.80 0.17 0.61 0.00 0.00 0.00 175.10 175.15 3h1h n GLY 137 N 5.11 0.55 2.95 4.51 0.00 0.14 -4.51 105.19 113.95 3h1h n GLY 137 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 3h1h n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1h s VAL 138 N 1.88 1.00 0.32 1.61 1.01 -1.26 -3.74 120.40 121.22 3h1h s VAL 138 Ca 0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.35 3h1h s VAL 138 Cb 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 36.38 35.31 3h1h s VAL 138 CO 0.00 0.34 1.23 0.00 0.00 0.00 0.00 175.10 176.67 3h1h n THR 140 N 0.88 2.18 -0.00 0.00 -2.24 -1.26 -2.73 114.28 111.10 3h1h n THR 140 Ca -0.00 -1.04 -0.00 0.00 -2.27 0.00 0.00 64.05 60.74 3h1h n THR 140 Cb 0.43 -0.80 -0.00 0.00 -2.10 0.00 0.00 70.33 67.86 3h1h n THR 140 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3h1h n HIS 141 N -0.26 0.00 -2.60 4.78 -0.00 -1.26 -3.91 115.22 111.97 3h1h n HIS 141 Ca 0.30 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.95 3h1h n HIS 141 Cb 1.03 -0.01 0.04 0.00 -0.00 0.00 0.00 29.99 31.06 3h1h n HIS 141 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3h1h n LEU 142 N -2.55 2.54 -3.97 0.27 4.77 -1.26 -5.01 117.00 111.79 3h1h n LEU 142 Ca -0.00 -3.54 -0.30 0.00 -0.03 0.00 0.00 56.01 52.14 3h1h n LEU 142 Cb 0.01 0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.35 3h1h n LEU 142 CO 0.00 1.35 0.01 0.61 -1.33 0.00 0.00 177.39 178.04 3h1h n GLY 143 N -0.62 -0.42 3.97 -0.72 0.00 -1.11 -5.00 105.19 101.29 3h1h n GLY 143 Ca 0.18 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 46.16 3h1h n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1h s VAL 145 N -2.01 5.26 1.14 0.00 1.01 -1.26 0.22 120.40 124.75 3h1h s VAL 145 Ca 0.36 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.37 3h1h s VAL 145 Cb -0.09 -3.64 0.27 0.00 0.00 0.00 0.00 36.38 32.92 3h1h s VAL 145 CO 0.29 0.14 1.04 -2.84 0.00 0.00 0.00 175.10 173.73 3h1h s PRO 146 N 1.86 -0.70 0.17 2.72 0.02 -1.25 -4.69 135.00 133.13 3h1h s PRO 146 Ca 0.09 0.65 0.11 0.00 0.02 0.00 0.00 61.00 61.87 3h1h s PRO 146 Cb -0.16 -1.59 -0.04 0.00 0.02 0.00 0.00 34.50 32.72 3h1h s PRO 146 CO 0.11 -3.53 -0.25 0.42 -0.33 0.00 0.00 177.00 173.43 3h1h s ILE 147 N -2.63 2.30 -0.09 2.83 1.01 -0.77 -4.84 121.20 119.01 3h1h s ILE 147 Ca 0.68 -1.94 0.15 0.00 0.00 0.00 0.00 60.65 59.53 3h1h s ILE 147 Cb -0.22 -2.07 -0.23 0.00 0.01 0.00 0.00 42.46 39.95 3h1h s ILE 147 CO 0.62 -0.06 0.53 0.00 0.00 0.00 0.00 174.94 176.03 3h1h n ALA 148 N 0.47 1.56 0.25 9.38 0.00 -1.26 -2.18 120.51 128.72 3h1h n ALA 148 Ca -0.14 -0.89 -0.10 0.00 0.00 0.00 0.00 53.44 52.31 3h1h n ALA 148 Cb 0.55 -0.69 -0.05 0.00 0.00 0.00 0.00 19.45 19.26 3h1h n ALA 148 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3h1h h ASN 149 N 0.00 -0.54 -3.45 0.00 -0.26 -1.95 -3.46 115.58 105.91 3h1h h ASN 149 Ca -0.34 0.02 -0.26 0.00 -0.56 0.00 0.00 56.30 55.16 3h1h h ASN 149 Cb 2.02 0.14 0.09 0.00 -1.06 0.00 0.00 38.32 39.51 3h1h h ASN 149 CO 0.06 -0.38 0.21 -1.54 -1.06 0.00 0.00 177.43 174.72 3h1h n SER 150 N -3.76 0.23 0.00 5.81 3.41 -1.26 -4.98 113.62 113.07 3h1h n SER 150 Ca -0.08 -1.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 3h1h n SER 150 Cb 0.25 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 3h1h n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h1h n GLY 151 N -0.06 3.13 0.39 5.00 0.00 -1.26 -4.15 105.19 108.24 3h1h n GLY 151 Ca 0.10 -0.22 0.17 0.00 0.00 0.00 0.00 46.02 46.08 3h1h n GLY 151 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3h1h h ASP 152 N 0.00 0.45 -0.83 1.61 3.58 -1.90 0.64 116.42 119.97 3h1h h ASP 152 Ca 0.00 0.04 -0.51 0.00 0.42 0.00 0.00 57.03 56.98 3h1h h ASP 152 Cb 0.00 -0.04 -0.28 0.00 1.72 0.00 0.00 39.33 40.73 3h1h h ASP 152 CO 0.00 0.20 0.38 0.49 -2.88 0.00 0.00 179.24 177.43 3h1h n PHE 153 N -4.52 2.67 -0.30 0.28 3.01 -1.26 -4.91 117.46 112.43 3h1h n PHE 153 Ca 0.18 -2.27 0.00 0.00 1.01 0.00 0.00 57.45 56.37 3h1h n PHE 153 Cb 0.63 -0.95 0.00 0.00 -0.01 0.00 0.00 39.48 39.15 3h1h n PHE 153 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3h1h n GLY 154 N -1.01 0.00 0.00 1.37 0.00 0.22 -3.88 105.19 101.89 3h1h n GLY 154 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.55 3h1h n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1h n GLY 155 N -1.12 1.20 3.37 -0.02 0.00 -1.16 -4.75 105.19 102.71 3h1h n GLY 155 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3h1h n GLY 155 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h1h s TYR 156 N 0.73 1.91 -0.08 1.61 1.51 0.11 -4.54 117.35 118.59 3h1h s TYR 156 Ca 0.00 -0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 55.58 3h1h s TYR 156 Cb 0.00 -0.91 0.03 0.00 -0.11 0.00 0.00 41.96 40.97 3h1h s TYR 156 CO 0.00 0.41 0.00 -0.47 -1.11 0.00 0.00 175.55 174.39 3h1h s TYR 157 N -2.32 0.71 -0.50 2.71 5.04 -0.93 -0.63 117.35 121.44 3h1h s TYR 157 Ca 0.20 -0.23 -0.22 0.00 -2.44 0.00 0.00 57.07 54.38 3h1h s TYR 157 Cb -0.05 -0.83 0.04 0.00 0.35 0.00 0.00 41.96 41.47 3h1h s TYR 157 CO 0.08 -0.35 0.77 0.00 -1.34 0.00 0.00 175.55 174.71 3h1h n PRO 159 N 6.76 0.30 0.01 0.00 -0.04 -1.26 -1.95 135.00 138.82 3h1h n PRO 159 Ca -0.01 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.24 3h1h n PRO 159 Cb 0.47 -1.24 -0.14 0.00 -0.04 0.00 0.00 33.50 32.55 3h1h n PRO 159 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1h n HIS 161 N -3.98 0.00 0.00 0.00 8.25 -1.22 -5.08 115.22 113.20 3h1h n HIS 161 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 3h1h n HIS 161 Cb 0.88 0.03 0.00 0.00 1.12 0.00 0.00 29.99 32.02 3h1h n HIS 161 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h1h n GLY 162 N 0.00 2.68 0.00 -1.41 0.00 -0.82 -4.72 105.19 100.91 3h1h n GLY 162 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3h1h n GLY 162 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h1h n SER 163 N 0.17 0.00 -4.67 1.61 7.64 -1.24 -3.78 113.62 113.34 3h1h n SER 163 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 3h1h n SER 163 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 3h1h n SER 163 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3h1h s HIS 164 N 0.00 3.31 -0.03 1.43 0.09 0.63 -1.93 115.29 118.79 3h1h s HIS 164 Ca 0.00 0.17 0.07 0.00 -0.00 0.00 0.00 55.06 55.30 3h1h s HIS 164 Cb 0.00 -2.09 -0.02 0.00 -0.00 0.00 0.00 32.58 30.47 3h1h s HIS 164 CO 0.00 0.22 -0.25 0.71 -0.00 0.00 0.00 174.74 175.42 3h1h s TYR 165 N 0.29 2.38 0.00 1.40 1.51 0.20 0.61 117.35 123.74 3h1h s TYR 165 Ca 0.05 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.67 3h1h s TYR 165 Cb -0.12 -1.52 0.00 0.00 -0.11 0.00 0.00 41.96 40.21 3h1h s TYR 165 CO -0.00 -0.04 0.00 -0.40 -1.11 0.00 0.00 175.55 174.00 3h1h n ASP 166 N 2.49 -0.70 0.23 2.29 5.68 -0.41 0.04 116.55 126.17 3h1h n ASP 166 Ca -0.16 -0.51 0.11 0.00 -0.50 0.00 0.00 54.79 53.72 3h1h n ASP 166 Cb 0.51 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 41.04 3h1h n ASP 166 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3h1h h ALA 167 N -2.00 1.10 -0.04 2.12 0.00 -1.86 -2.44 119.26 116.15 3h1h h ALA 167 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3h1h h ALA 167 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3h1h h ALA 167 CO 0.00 0.25 0.00 0.45 0.00 0.00 0.00 179.25 179.95 3h1h n SER 168 N -3.47 2.23 -1.25 0.00 2.88 -1.26 -4.97 113.62 107.77 3h1h n SER 168 Ca -0.01 -1.74 -0.00 0.00 -1.33 0.00 0.00 58.87 55.79 3h1h n SER 168 Cb 0.37 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 3h1h n SER 168 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h1h n GLY 169 N 1.26 0.62 3.14 0.46 0.00 -0.92 -5.02 105.19 104.74 3h1h n GLY 169 Ca 0.17 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 3h1h n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h1h s ARG 170 N -3.59 1.67 0.13 1.61 0.52 -1.26 -3.76 118.95 114.26 3h1h s ARG 170 Ca 0.00 -0.60 -0.31 0.00 -0.52 0.00 0.00 55.73 54.30 3h1h s ARG 170 Cb -0.00 -1.49 -0.10 0.00 0.52 0.00 0.00 34.95 33.88 3h1h s ARG 170 CO 0.01 0.27 1.64 -1.50 0.02 0.00 0.00 175.30 175.75 3h1h s ILE 171 N -0.07 2.70 0.00 1.52 1.10 -1.26 -1.28 121.20 123.91 3h1h s ILE 171 Ca -0.01 0.37 0.00 0.00 -0.51 0.00 0.00 60.65 60.50 3h1h s ILE 171 Cb -0.10 -3.24 0.00 0.00 0.15 0.00 0.00 42.46 39.27 3h1h s ILE 171 CO 0.01 0.01 0.00 0.54 -2.11 0.00 0.00 174.94 173.40 3h1h n ARG 172 N 4.75 0.00 -3.55 3.50 5.12 0.20 -4.93 116.66 121.75 3h1h n ARG 172 Ca 0.15 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.66 3h1h n ARG 172 Cb 0.39 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.59 3h1h n ARG 172 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3h1h s LYS 173 N 0.00 2.82 0.00 5.56 2.20 -1.24 -4.92 119.74 124.17 3h1h s LYS 173 Ca 0.00 -1.18 0.00 0.00 -0.36 0.00 0.00 55.97 54.43 3h1h s LYS 173 Cb 0.00 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.48 3h1h s LYS 173 CO 0.00 -0.80 0.00 0.41 -0.36 0.00 0.00 175.35 174.60 3h1h n GLY 174 N 5.04 1.63 0.19 5.54 0.00 -1.26 -0.27 105.19 116.05 3h1h n GLY 174 Ca -0.11 -1.01 0.12 0.00 0.00 0.00 0.00 46.02 45.01 3h1h n GLY 174 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h1h h PRO 175 N 0.00 0.00 -6.42 1.61 0.13 -1.95 -3.47 132.00 121.90 3h1h h PRO 175 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 3h1h h PRO 175 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 3h1h h PRO 175 CO 0.00 0.00 1.14 0.00 -0.23 0.00 0.00 178.00 178.91 3h1h s ALA 176 N -3.22 3.67 0.00 -0.56 0.00 -1.26 -4.94 121.76 115.45 3h1h s ALA 176 Ca 0.06 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3h1h s ALA 176 Cb 0.07 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.40 3h1h s ALA 176 CO 0.68 -1.36 0.54 -0.35 0.00 0.00 0.00 175.76 175.27 3h1h n PRO 177 N 6.53 0.00 -0.46 0.00 -0.04 -1.25 -4.90 135.00 134.87 3h1h n PRO 177 Ca 0.18 0.15 -0.15 0.00 -0.04 0.00 0.00 63.50 63.64 3h1h n PRO 177 Cb 0.40 -1.06 0.13 0.00 -0.04 0.00 0.00 33.50 32.93 3h1h n PRO 177 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3h1h n TYR 178 N -0.95 -3.36 -4.16 0.54 4.02 -1.26 -4.77 117.16 107.21 3h1h n TYR 178 Ca 0.00 -0.49 -0.31 0.00 -0.01 0.00 0.00 57.90 57.09 3h1h n TYR 178 Cb 0.00 -0.59 -0.08 0.00 -0.02 0.00 0.00 39.34 38.65 3h1h n TYR 178 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3h1h s ASN 179 N -2.93 5.11 0.00 7.72 0.01 -1.26 -4.56 114.94 119.02 3h1h s ASN 179 Ca 0.36 -0.11 -0.36 0.00 -0.71 0.00 0.00 52.86 52.03 3h1h s ASN 179 Cb -0.04 -1.27 -0.18 0.00 0.41 0.00 0.00 41.25 40.17 3h1h s ASN 179 CO 0.28 0.20 0.97 0.18 -1.51 0.00 0.00 177.10 177.22 3h1h n LEU 180 N 0.79 -0.03 -4.76 0.60 4.77 -1.25 -4.80 117.00 112.31 3h1h n LEU 180 Ca -0.12 1.06 -0.39 0.00 -0.03 0.00 0.00 56.01 56.53 3h1h n LEU 180 Cb 0.52 -0.84 0.01 0.00 -2.33 0.00 0.00 43.42 40.78 3h1h n LEU 180 CO 0.38 -1.77 1.01 -0.70 -1.33 0.00 0.00 177.39 174.98 3h1h s GLU 181 N -0.02 3.70 -0.36 3.23 2.12 -1.26 -4.81 118.70 121.29 3h1h s GLU 181 Ca 0.83 2.28 -0.06 0.00 0.36 0.00 0.00 54.97 58.38 3h1h s GLU 181 Cb -1.16 -2.62 0.06 0.00 0.26 0.00 0.00 34.13 30.68 3h1h s GLU 181 CO 0.52 -0.76 0.14 0.08 -0.54 0.00 0.00 175.26 174.70 3h1h s VAL 182 N -1.25 3.66 0.80 3.70 1.01 -1.26 -2.18 120.40 124.88 3h1h s VAL 182 Ca 0.61 -1.40 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 3h1h s VAL 182 Cb -0.41 -3.19 0.07 0.00 0.00 0.00 0.00 36.38 32.86 3h1h s VAL 182 CO 0.52 -0.33 1.09 -2.16 0.00 0.00 0.00 175.10 174.21 3h1h s PRO 183 N 1.34 2.01 0.62 2.72 0.04 -1.26 -5.03 135.00 135.44 3h1h s PRO 183 Ca 0.00 0.93 -0.17 0.00 0.04 0.00 0.00 61.00 61.80 3h1h s PRO 183 Cb -0.21 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 3h1h s PRO 183 CO 0.01 -1.75 1.17 0.99 0.04 0.00 0.00 177.00 177.46 3h1h s THR 184 N -2.98 2.80 0.00 1.26 2.01 -1.26 -4.97 115.64 112.51 3h1h s THR 184 Ca 0.61 0.45 0.00 0.00 0.31 0.00 0.00 61.69 63.06 3h1h s THR 184 Cb -0.16 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.26 3h1h s THR 184 CO 0.56 -0.15 0.00 0.00 -0.69 0.00 0.00 174.62 174.33 3h1h n TYR 185 N -1.92 -0.66 -3.54 4.92 0.18 -1.26 -2.64 117.16 112.25 3h1h n TYR 185 Ca 0.13 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.81 3h1h n TYR 185 Cb 0.50 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.43 3h1h n TYR 185 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 3h1h s GLN 186 N -1.09 0.73 -0.23 -3.48 -2.07 -1.26 -4.98 119.66 107.29 3h1h s GLN 186 Ca 0.00 -0.08 0.15 0.00 -1.82 0.00 0.00 55.36 53.61 3h1h s GLN 186 Cb 0.00 0.34 0.46 0.00 -1.09 0.00 0.00 33.01 32.72 3h1h s GLN 186 CO 0.00 -0.28 1.17 1.19 -1.32 0.00 0.00 175.29 176.05 3h1h n PHE 187 N 0.24 1.45 -0.91 9.60 3.01 -1.26 -3.55 117.46 126.03 3h1h n PHE 187 Ca -0.10 -1.83 -0.17 0.00 1.01 0.00 0.00 57.45 56.36 3h1h n PHE 187 Cb 0.60 -0.27 -0.10 0.00 -0.01 0.00 0.00 39.48 39.70 3h1h n PHE 187 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3h1h n VAL 188 N -0.59 2.83 0.00 -4.37 0.31 -1.26 -3.90 118.33 111.34 3h1h n VAL 188 Ca 0.24 -1.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.04 3h1h n VAL 188 Cb 0.89 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 3h1h n VAL 188 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h1h n GLY 189 N 2.95 -0.27 0.12 2.92 0.00 -1.26 -5.03 105.19 104.61 3h1h n GLY 189 Ca 0.45 0.37 -0.03 0.00 0.00 0.00 0.00 46.02 46.81 3h1h n GLY 189 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h1h n ASP 190 N 0.00 -0.30 -0.14 1.61 8.00 -1.25 0.66 116.55 125.13 3h1h n ASP 190 Ca 0.00 0.95 0.00 0.00 0.71 0.00 0.00 54.79 56.45 3h1h n ASP 190 Cb 0.00 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 3h1h n ASP 190 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3h1h n ASP 191 N -3.57 0.00 -3.66 -2.24 3.85 -1.26 -4.38 116.55 105.29 3h1h n ASP 191 Ca 0.01 0.00 -0.09 0.00 -0.71 0.00 0.00 54.79 54.00 3h1h n ASP 191 Cb 0.07 0.00 -0.08 0.00 -1.35 0.00 0.00 41.12 39.76 3h1h n ASP 191 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3h1h s LEU 192 N -0.62 -0.62 -0.03 -2.12 1.43 0.21 -3.44 118.68 113.49 3h1h s LEU 192 Ca 0.00 1.28 0.06 0.00 -1.03 0.00 0.00 54.13 54.44 3h1h s LEU 192 Cb 0.00 2.01 -0.01 0.00 0.03 0.00 0.00 46.19 48.22 3h1h s LEU 192 CO 0.00 -0.22 -0.20 0.54 0.23 0.00 0.00 176.35 176.69 3h1h s VAL 193 N 1.49 1.65 -0.48 -1.59 0.11 -0.04 -4.31 120.40 117.23 3h1h s VAL 193 Ca -0.09 -0.87 0.04 0.00 -2.93 0.00 0.00 61.98 58.12 3h1h s VAL 193 Cb -0.06 -1.38 0.13 0.00 -1.53 0.00 0.00 36.38 33.53 3h1h s VAL 193 CO -0.16 0.47 0.22 -0.69 -3.33 0.00 0.00 175.10 171.60 3h1h s VAL 194 N -0.30 2.40 0.34 2.04 1.01 -1.23 0.87 120.40 125.53 3h1h s VAL 194 Ca 0.03 -3.07 -0.27 0.00 0.00 0.00 0.00 61.98 58.67 3h1h s VAL 194 Cb -0.10 -2.69 -0.09 0.00 0.00 0.00 0.00 36.38 33.50 3h1h s VAL 194 CO 0.01 -0.77 1.14 -0.69 0.00 0.00 0.00 175.10 174.78 3h1h s VAL 195 N -0.02 3.32 0.00 2.92 1.01 -0.46 -3.98 120.40 123.19 3h1h s VAL 195 Ca 0.16 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.35 3h1h s VAL 195 Cb -0.25 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.41 3h1h s VAL 195 CO -0.02 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.89