#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e h VAL 2 N 0.00 0.97 0.00 -1.45 -1.51 -1.99 -3.22 116.25 109.06 3g6e h VAL 2 Ca 0.00 -2.40 0.00 0.00 -1.23 0.00 0.00 66.70 63.07 3g6e h VAL 2 Cb 0.00 2.46 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 3g6e h VAL 2 CO 0.00 0.55 -0.81 0.00 -1.23 0.00 0.00 177.57 176.08 3g6e n TYR 3 N -3.21 0.10 -3.05 5.19 0.18 -1.26 -4.84 117.16 110.27 3g6e n TYR 3 Ca 0.00 0.03 -0.41 0.00 1.88 0.00 0.00 57.90 59.40 3g6e n TYR 3 Cb 0.78 -0.26 -0.06 0.00 -0.38 0.00 0.00 39.34 39.42 3g6e n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3g6e s VAL 4 N -3.07 4.87 -1.03 -3.48 1.01 -1.22 -4.86 120.40 112.63 3g6e s VAL 4 Ca 0.08 0.92 0.11 0.00 0.00 0.00 0.00 61.98 63.09 3g6e s VAL 4 Cb 0.16 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.48 3g6e s VAL 4 CO 0.78 -0.21 0.68 0.47 0.00 0.00 0.00 175.10 176.81 3g6e n ASP 5 N 6.03 1.33 -3.71 3.32 8.00 -1.26 -4.84 116.55 125.43 3g6e n ASP 5 Ca 0.01 -1.17 -0.14 0.00 0.71 0.00 0.00 54.79 54.20 3g6e n ASP 5 Cb 0.49 0.41 -0.09 0.00 -0.02 0.00 0.00 41.12 41.91 3g6e n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3g6e s PHE 6 N -1.36 -0.43 -0.16 1.24 -0.12 -1.26 -5.10 117.98 110.78 3g6e s PHE 6 Ca 0.09 0.95 -0.16 0.00 -0.05 0.00 0.00 56.93 57.76 3g6e s PHE 6 Cb 0.09 0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.61 3g6e s PHE 6 CO 0.25 -0.33 0.40 0.34 -0.05 0.00 0.00 175.22 175.84 3g6e s ASP 7 N -0.36 6.52 -0.23 1.98 2.15 -1.26 -4.97 116.67 120.49 3g6e s ASP 7 Ca -0.05 0.61 -0.14 0.00 0.43 0.00 0.00 52.55 53.40 3g6e s ASP 7 Cb -0.03 -2.24 -0.04 0.00 -0.30 0.00 0.00 42.92 40.31 3g6e s ASP 7 CO 0.03 -0.01 0.33 -0.69 -0.17 0.00 0.00 175.17 174.66 3g6e s VAL 8 N 0.89 5.23 0.63 1.11 1.01 -1.26 -5.08 120.40 122.93 3g6e s VAL 8 Ca 0.21 0.54 -0.18 0.00 0.00 0.00 0.00 61.98 62.54 3g6e s VAL 8 Cb -0.14 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 3g6e s VAL 8 CO 0.08 0.25 1.25 -2.84 0.00 0.00 0.00 175.10 173.84 3g6e s PRO 9 N 1.44 2.72 0.50 2.72 0.02 -1.26 -4.87 135.00 136.27 3g6e s PRO 9 Ca 0.15 1.94 0.20 0.00 0.02 0.00 0.00 61.00 63.31 3g6e s PRO 9 Cb -0.15 -1.88 1.26 0.00 0.02 0.00 0.00 34.50 33.75 3g6e s PRO 9 CO 0.08 -1.44 2.03 0.00 -0.33 0.00 0.00 177.00 177.34 3g6e h ALA 10 N 0.65 2.23 -0.15 -1.55 0.00 -1.99 -1.88 119.26 116.57 3g6e h ALA 10 Ca -0.51 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.18 3g6e h ALA 10 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3g6e h ALA 10 CO 0.54 -0.34 -0.74 -0.44 0.00 0.00 0.00 179.25 178.27 3g6e h ASP 11 N 0.12 0.82 0.52 0.00 3.32 -2.00 -2.38 116.42 116.81 3g6e h ASP 11 Ca 0.19 -0.52 -0.14 0.00 0.02 0.00 0.00 57.03 56.58 3g6e h ASP 11 Cb 0.61 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3g6e h ASP 11 CO -0.02 1.30 -0.62 0.25 -1.72 0.00 0.00 179.24 178.43 3g6e h LEU 12 N 0.48 0.12 -0.38 1.55 6.46 -1.74 -2.74 115.31 119.06 3g6e h LEU 12 Ca -0.04 -0.07 -0.19 0.00 -0.12 0.00 0.00 57.88 57.46 3g6e h LEU 12 Cb 1.35 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 41.24 3g6e h LEU 12 CO 0.15 0.71 -0.75 -0.08 -0.62 0.00 0.00 178.44 177.85 3g6e h GLU 13 N 0.07 0.41 -0.56 1.25 4.81 -1.35 -2.12 114.58 117.10 3g6e h GLU 13 Ca -0.01 -0.34 -0.08 0.00 -0.13 0.00 0.00 59.36 58.80 3g6e h GLU 13 Cb 1.11 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 3g6e h GLU 13 CO 0.09 0.98 0.03 -0.44 -0.73 0.00 0.00 179.01 178.94 3g6e h ASP 14 N 0.27 0.94 -0.46 1.04 3.32 -1.31 -1.79 116.42 118.44 3g6e h ASP 14 Ca -0.03 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 56.68 3g6e h ASP 14 Cb 1.33 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 3g6e h ASP 14 CO 0.13 1.00 0.12 0.44 -1.72 0.00 0.00 179.24 179.21 3g6e h ASP 15 N 0.85 0.69 -0.43 6.45 3.32 -1.44 -2.50 116.42 123.36 3g6e h ASP 15 Ca 0.16 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3g6e h ASP 15 Cb 0.50 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3g6e h ASP 15 CO 0.02 0.74 0.17 0.00 -1.72 0.00 0.00 179.24 178.45 3g6e h ALA 16 N 0.98 0.56 0.00 3.45 0.00 -1.22 -2.08 119.26 120.95 3g6e h ALA 16 Ca 0.15 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3g6e h ALA 16 Cb 0.31 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3g6e h ALA 16 CO 0.00 0.17 -0.58 -0.07 0.00 0.00 0.00 179.25 178.78 3g6e h LEU 17 N 0.55 0.00 -0.50 0.00 3.38 -1.31 -2.56 115.31 114.86 3g6e h LEU 17 Ca 0.14 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 3g6e h LEU 17 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3g6e h LEU 17 CO -0.01 0.58 -0.57 -0.33 0.09 0.00 0.00 178.44 178.20 3g6e h GLU 18 N 0.00 0.54 0.00 1.13 5.08 -1.33 -2.38 114.58 117.62 3g6e h GLU 18 Ca -0.01 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 57.95 3g6e h GLU 18 Cb 1.14 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3g6e h GLU 18 CO 0.07 0.96 -0.26 0.00 -1.00 0.00 0.00 179.01 178.79 3g6e h ALA 19 N 0.96 1.01 0.09 3.43 0.00 -1.26 -2.93 119.26 120.56 3g6e h ALA 19 Ca 0.00 -0.24 -0.26 0.00 0.00 0.00 0.00 54.91 54.42 3g6e h ALA 19 Cb 1.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3g6e h ALA 19 CO 0.11 0.32 -1.22 1.25 0.00 0.00 0.00 179.25 179.71 3g6e h LEU 20 N 0.00 0.31 -0.97 0.00 5.85 -1.24 -2.94 115.31 116.32 3g6e h LEU 20 Ca -0.00 -0.34 -0.09 0.00 0.84 0.00 0.00 57.88 58.29 3g6e h LEU 20 Cb 0.80 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3g6e h LEU 20 CO 0.03 1.27 -0.21 -0.33 -0.34 0.00 0.00 178.44 178.86 3g6e h GLU 21 N 0.05 0.51 -0.01 1.25 5.08 -1.25 -2.39 114.58 117.82 3g6e h GLU 21 Ca -0.12 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3g6e h GLU 21 Cb 1.93 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.14 3g6e h GLU 21 CO 0.18 0.69 -0.20 1.33 -1.00 0.00 0.00 179.01 180.01 3g6e n VAL 22 N -4.14 0.00 0.11 3.13 0.24 -1.16 -3.69 118.33 112.82 3g6e n VAL 22 Ca -0.00 -0.15 0.06 0.00 -2.04 0.00 0.00 64.34 62.21 3g6e n VAL 22 Cb 0.38 0.41 0.01 0.00 -1.47 0.00 0.00 33.84 33.17 3g6e n VAL 22 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3g6e h ALA 23 N 3.82 0.67 0.00 2.33 0.00 -1.23 -3.17 119.26 121.68 3g6e h ALA 23 Ca 0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.36 3g6e h ALA 23 Cb 0.50 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3g6e h ALA 23 CO 0.00 0.42 -1.43 0.07 0.00 0.00 0.00 179.25 178.31 3g6e h ARG 24 N 0.00 0.00 -0.00 0.00 0.11 -1.60 -2.16 114.38 110.73 3g6e h ARG 24 Ca -0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.03 3g6e h ARG 24 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 3g6e h ARG 24 CO 0.03 0.36 -0.42 -0.25 0.10 0.00 0.00 179.97 179.79 3g6e n ASP 25 N -2.95 0.57 0.03 0.08 8.00 -1.25 -4.64 116.55 116.40 3g6e n ASP 25 Ca -0.11 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.05 3g6e n ASP 25 Cb 0.89 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 42.17 3g6e n ASP 25 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3g6e n THR 26 N -1.33 0.44 0.00 -3.53 -1.04 -1.20 -5.10 114.28 102.53 3g6e n THR 26 Ca 0.07 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.23 3g6e n THR 26 Cb 0.34 -1.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.81 3g6e n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3g6e n GLY 27 N 3.05 0.81 3.43 3.41 0.00 -0.94 -4.86 105.19 110.08 3g6e n GLY 27 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3g6e n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g6e s ALA 28 N -3.84 -1.34 0.12 4.61 0.00 -0.86 -4.79 121.76 115.68 3g6e s ALA 28 Ca 0.00 1.65 0.07 0.00 0.00 0.00 0.00 51.96 53.68 3g6e s ALA 28 Cb 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 3g6e s ALA 28 CO 0.00 -0.27 -0.17 0.14 0.00 0.00 0.00 175.76 175.45 3g6e s VAL 29 N 0.73 1.57 -0.17 0.00 -7.23 -1.26 -1.78 120.40 112.26 3g6e s VAL 29 Ca -0.04 -1.67 -0.03 0.00 -1.81 0.00 0.00 61.98 58.43 3g6e s VAL 29 Cb -0.05 -1.58 -0.02 0.00 0.56 0.00 0.00 36.38 35.30 3g6e s VAL 29 CO -0.05 -0.25 -0.06 -0.54 -0.31 0.00 0.00 175.10 173.89 3g6e s LYS 30 N -2.36 3.53 -0.13 4.82 -0.14 0.14 -4.90 119.74 120.70 3g6e s LYS 30 Ca 0.09 -0.58 -0.02 0.00 -1.36 0.00 0.00 55.97 54.10 3g6e s LYS 30 Cb -0.07 -2.88 -0.02 0.00 -1.68 0.00 0.00 37.83 33.17 3g6e s LYS 30 CO 0.04 0.12 -0.07 0.15 -0.76 0.00 0.00 175.35 174.83 3g6e s LYS 31 N 0.67 3.37 0.00 1.68 1.02 -1.26 -0.43 119.74 124.78 3g6e s LYS 31 Ca -0.03 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.38 3g6e s LYS 31 Cb -0.15 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 3g6e s LYS 31 CO 0.02 0.34 0.00 0.41 -0.92 0.00 0.00 175.35 175.20 3g6e n GLY 32 N 3.21 2.39 0.36 -3.33 0.00 -0.34 -4.63 105.19 102.85 3g6e n GLY 32 Ca -0.18 -1.63 0.09 0.00 0.00 0.00 0.00 46.02 44.31 3g6e n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3g6e h THR 33 N 0.00 0.94 -0.26 2.61 2.02 -1.93 -1.96 112.91 114.33 3g6e h THR 33 Ca 0.00 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 3g6e h THR 33 Cb 0.00 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 3g6e h THR 33 CO 0.00 0.12 -0.02 -1.13 0.37 0.00 0.00 175.52 174.86 3g6e h ASN 34 N 0.68 0.47 0.80 4.18 -1.24 -1.93 -1.68 115.58 116.86 3g6e h ASN 34 Ca 0.35 -0.33 -0.07 0.00 0.71 0.00 0.00 56.30 56.95 3g6e h ASN 34 Cb 0.45 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.36 3g6e h ASN 34 CO -0.13 0.69 -0.35 -0.33 -1.29 0.00 0.00 177.43 176.02 3g6e h GLU 35 N 0.24 0.00 -0.11 6.67 5.08 -1.75 -2.35 114.58 122.36 3g6e h GLU 35 Ca 0.07 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.19 3g6e h GLU 35 Cb 0.46 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.73 3g6e h GLU 35 CO 0.02 0.35 -0.85 1.15 -1.00 0.00 0.00 179.01 178.67 3g6e h THR 36 N 0.00 1.28 -0.50 1.13 2.02 -1.24 -2.77 112.91 112.82 3g6e h THR 36 Ca -0.00 -2.05 -0.11 0.00 0.77 0.00 0.00 66.41 65.01 3g6e h THR 36 Cb 0.85 2.09 -0.02 0.00 -1.74 0.00 0.00 68.15 69.33 3g6e h THR 36 CO 0.05 0.65 -0.11 0.74 0.37 0.00 0.00 175.52 177.22 3g6e h THR 37 N 0.50 1.27 0.00 3.16 2.02 -1.11 -2.76 112.91 115.99 3g6e h THR 37 Ca -0.07 -1.25 -0.08 0.00 0.77 0.00 0.00 66.41 65.78 3g6e h THR 37 Cb 1.49 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.93 3g6e h THR 37 CO 0.17 0.43 -0.40 0.11 0.37 0.00 0.00 175.52 176.20 3g6e h LYS 38 N 0.82 0.00 -0.25 6.66 1.57 -1.46 -2.41 116.57 121.49 3g6e h LYS 38 Ca 0.13 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 3g6e h LYS 38 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 3g6e h LYS 38 CO 0.05 0.40 -0.43 0.77 -0.57 0.00 0.00 179.45 179.67 3g6e h SER 39 N 0.00 0.66 0.05 0.86 0.02 -1.31 0.21 113.55 114.05 3g6e h SER 39 Ca -0.00 -0.31 -0.18 0.00 -0.84 0.00 0.00 61.79 60.46 3g6e h SER 39 Cb 0.75 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 3g6e h SER 39 CO 0.05 1.01 -0.63 0.40 -1.14 0.00 0.00 176.83 176.52 3g6e h ILE 40 N 0.50 1.33 -0.04 3.27 2.04 -1.24 -1.02 117.51 122.36 3g6e h ILE 40 Ca 0.04 -1.91 -0.23 0.00 1.00 0.00 0.00 64.86 63.76 3g6e h ILE 40 Cb 0.95 1.88 0.01 0.00 -0.74 0.00 0.00 36.82 38.92 3g6e h ILE 40 CO 0.09 0.59 -0.90 -0.33 0.00 0.00 0.00 178.15 177.60 3g6e h GLU 41 N 0.42 0.54 0.00 2.37 5.08 -1.29 -3.18 114.58 118.52 3g6e h GLU 41 Ca -0.01 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3g6e h GLU 41 Cb 1.19 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3g6e h GLU 41 CO 0.12 1.15 -0.10 0.00 -1.00 0.00 0.00 179.01 179.18 3g6e h ARG 42 N 0.33 0.00 0.00 2.33 3.08 -0.97 -3.48 114.38 115.66 3g6e h ARG 42 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3g6e h ARG 42 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.57 3g6e h ARG 42 CO 0.16 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.47 3g6e n GLY 43 N 1.11 1.68 0.07 0.04 0.00 -0.44 -4.95 105.19 102.71 3g6e n GLY 43 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 3g6e n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g6e n SER 44 N 0.00 0.29 -4.70 1.61 3.41 -0.90 -4.75 113.62 108.59 3g6e n SER 44 Ca 0.00 0.61 -0.42 0.00 -0.26 0.00 0.00 58.87 58.80 3g6e n SER 44 Cb 0.00 -0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 63.26 3g6e n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g6e s ALA 45 N -3.23 3.33 -0.23 7.33 0.00 -1.05 -3.79 121.76 124.12 3g6e s ALA 45 Ca 0.01 0.62 -0.06 0.00 0.00 0.00 0.00 51.96 52.53 3g6e s ALA 45 Cb 0.05 -3.42 -0.18 0.00 0.00 0.00 0.00 23.12 19.58 3g6e s ALA 45 CO 0.18 -0.45 -0.11 -1.91 0.00 0.00 0.00 175.76 173.47 3g6e n GLU 46 N 4.32 0.65 -3.70 0.00 2.13 -0.00 -4.88 120.64 119.15 3g6e n GLU 46 Ca 0.08 0.24 -0.12 0.00 0.66 0.00 0.00 57.16 58.03 3g6e n GLU 46 Cb 0.48 -1.57 -0.12 0.00 0.27 0.00 0.00 31.44 30.50 3g6e n GLU 46 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3g6e s LEU 47 N -7.02 0.06 -0.10 4.31 2.96 -1.23 -4.24 118.68 113.43 3g6e s LEU 47 Ca -0.33 0.65 -0.01 0.00 -0.22 0.00 0.00 54.13 54.23 3g6e s LEU 47 Cb 0.10 0.91 -0.03 0.00 0.50 0.00 0.00 46.19 47.66 3g6e s LEU 47 CO 0.60 -0.19 -0.05 0.68 -1.32 0.00 0.00 176.35 176.07 3g6e s VAL 48 N 1.65 3.84 -0.03 1.68 -7.23 -0.53 -0.86 120.40 118.91 3g6e s VAL 48 Ca -0.06 -0.41 -0.00 0.00 -1.81 0.00 0.00 61.98 59.69 3g6e s VAL 48 Cb -0.10 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 3g6e s VAL 48 CO -0.10 0.57 0.02 -0.36 -0.31 0.00 0.00 175.10 174.92 3g6e s PHE 49 N -0.47 3.16 -0.03 2.82 0.40 0.15 -1.86 117.98 122.15 3g6e s PHE 49 Ca 0.07 0.15 -0.01 0.00 -0.60 0.00 0.00 56.93 56.54 3g6e s PHE 49 Cb -0.12 -1.73 0.03 0.00 0.51 0.00 0.00 43.02 41.71 3g6e s PHE 49 CO 0.02 0.49 0.06 0.08 0.70 0.00 0.00 175.22 176.57 3g6e s VAL 50 N -1.04 -0.04 0.44 -0.44 1.01 -0.77 -1.43 120.40 118.12 3g6e s VAL 50 Ca 0.18 0.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.13 3g6e s VAL 50 Cb -0.12 -0.12 -0.10 0.00 0.00 0.00 0.00 36.38 36.05 3g6e s VAL 50 CO 0.08 0.06 0.92 0.00 0.00 0.00 0.00 175.10 176.17 3g6e s ALA 51 N 0.84 3.10 -0.80 5.51 0.00 -0.20 -0.47 121.76 129.74 3g6e s ALA 51 Ca -0.07 0.26 0.22 0.00 0.00 0.00 0.00 51.96 52.36 3g6e s ALA 51 Cb -0.09 -3.07 -0.17 0.00 0.00 0.00 0.00 23.12 19.79 3g6e s ALA 51 CO -0.03 0.04 0.88 0.39 0.00 0.00 0.00 175.76 177.04 3g6e n GLU 52 N -0.92 0.14 -1.24 0.00 1.02 0.38 -4.42 120.64 115.60 3g6e n GLU 52 Ca 0.06 -0.03 -0.24 0.00 -0.02 0.00 0.00 57.16 56.93 3g6e n GLU 52 Cb 0.54 -1.51 0.14 0.00 -0.02 0.00 0.00 31.44 30.59 3g6e n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3g6e n ASP 53 N -1.67 4.79 -4.66 1.62 5.75 -1.18 -4.38 116.55 116.82 3g6e n ASP 53 Ca 0.03 -3.70 -0.42 0.00 -0.01 0.00 0.00 54.79 50.68 3g6e n ASP 53 Cb 0.38 -0.82 -0.03 0.00 -1.03 0.00 0.00 41.12 39.62 3g6e n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3g6e s VAL 54 N -3.83 4.77 -0.19 2.12 1.01 -1.26 -4.90 120.40 118.11 3g6e s VAL 54 Ca 0.57 1.82 -0.01 0.00 0.00 0.00 0.00 61.98 64.36 3g6e s VAL 54 Cb 0.47 -4.22 0.05 0.00 0.00 0.00 0.00 36.38 32.68 3g6e s VAL 54 CO 0.05 -0.11 -0.03 -1.58 0.00 0.00 0.00 175.10 173.43 3g6e s GLN 55 N 2.88 1.31 0.45 2.72 -0.44 -1.26 -3.39 119.66 121.93 3g6e s GLN 55 Ca 0.40 -0.62 -0.20 0.00 -2.50 0.00 0.00 55.36 52.44 3g6e s GLN 55 Cb -0.15 -2.18 -0.10 0.00 -1.64 0.00 0.00 33.01 28.94 3g6e s GLN 55 CO 0.08 -0.52 0.98 -1.25 0.50 0.00 0.00 175.29 175.08 3g6e s PRO 56 N 1.62 4.07 0.24 1.67 0.04 -1.26 -5.09 135.00 136.29 3g6e s PRO 56 Ca -0.01 1.19 0.21 0.00 0.04 0.00 0.00 61.00 62.43 3g6e s PRO 56 Cb -0.17 -2.15 0.96 0.00 0.04 0.00 0.00 34.50 33.19 3g6e s PRO 56 CO -0.07 -0.18 1.64 0.39 0.04 0.00 0.00 177.00 178.82 3g6e n GLU 57 N -0.81 0.15 0.21 4.56 1.02 -1.22 -3.19 120.64 121.37 3g6e n GLU 57 Ca 0.08 0.48 0.04 0.00 -0.02 0.00 0.00 57.16 57.73 3g6e n GLU 57 Cb 0.54 -1.85 0.44 0.00 -0.02 0.00 0.00 31.44 30.55 3g6e n GLU 57 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3g6e h GLU 58 N 0.00 0.00 -0.55 3.49 3.07 -1.98 -0.25 114.58 118.36 3g6e h GLU 58 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3g6e h GLU 58 Cb 0.23 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 3g6e h GLU 58 CO 0.00 0.26 0.26 0.82 -1.40 0.00 0.00 179.01 178.95 3g6e h ILE 59 N 0.00 1.18 0.00 3.13 2.04 -1.96 -3.26 117.51 118.65 3g6e h ILE 59 Ca -0.00 -0.52 -0.10 0.00 1.00 0.00 0.00 64.86 65.24 3g6e h ILE 59 Cb 0.46 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3g6e h ILE 59 CO 0.03 0.21 -1.75 0.52 0.00 0.00 0.00 178.15 177.17 3g6e n VAL 60 N -4.37 0.37 -0.20 1.67 0.31 -1.12 -4.76 118.33 110.23 3g6e n VAL 60 Ca 0.05 -0.42 0.19 0.00 -0.01 0.00 0.00 64.34 64.14 3g6e n VAL 60 Cb 0.13 -0.16 0.33 0.00 -0.91 0.00 0.00 33.84 33.22 3g6e n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3g6e n MET 61 N -2.20 -0.03 0.14 5.55 2.81 -0.12 -1.46 117.12 121.81 3g6e n MET 61 Ca -0.10 0.72 0.02 0.00 -1.81 0.00 0.00 57.70 56.52 3g6e n MET 61 Cb 0.60 -1.33 0.08 0.00 -0.71 0.00 0.00 33.22 31.86 3g6e n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 3g6e h HIS 62 N 0.00 0.00 -0.56 2.03 2.07 -1.86 -3.39 115.15 113.45 3g6e h HIS 62 Ca 0.46 0.00 0.09 0.00 -2.85 0.00 0.00 60.37 58.07 3g6e h HIS 62 Cb 1.31 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.22 3g6e h HIS 62 CO -0.00 0.54 0.15 0.82 -3.07 0.00 0.00 177.93 176.36 3g6e h ILE 63 N 0.00 0.73 0.00 6.12 1.08 -1.62 -1.03 117.51 122.78 3g6e h ILE 63 Ca -0.01 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 3g6e h ILE 63 Cb 1.32 0.39 -0.00 0.00 -3.07 0.00 0.00 36.82 35.47 3g6e h ILE 63 CO 0.07 0.06 -0.07 -0.65 -0.69 0.00 0.00 178.15 176.87 3g6e h PRO 64 N 0.30 0.00 0.01 2.37 0.11 -1.79 -1.91 132.00 131.09 3g6e h PRO 64 Ca 0.28 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 66.05 3g6e h PRO 64 Cb 0.38 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.42 3g6e h PRO 64 CO -0.33 0.07 -2.15 -1.91 -0.21 0.00 0.00 178.00 173.46 3g6e n GLU 65 N -3.34 0.67 -0.02 1.05 2.13 -1.06 -3.91 120.64 116.17 3g6e n GLU 65 Ca -0.01 0.12 -0.13 0.00 0.66 0.00 0.00 57.16 57.79 3g6e n GLU 65 Cb 0.23 -1.62 -0.01 0.00 0.27 0.00 0.00 31.44 30.31 3g6e n GLU 65 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3g6e h LEU 66 N 0.00 0.79 -1.03 4.31 5.85 -1.08 -3.16 115.31 120.99 3g6e h LEU 66 Ca -0.46 -0.47 -0.10 0.00 0.84 0.00 0.00 57.88 57.69 3g6e h LEU 66 Cb 2.13 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.91 3g6e h LEU 66 CO 0.04 1.24 -0.47 0.00 -0.34 0.00 0.00 178.44 178.91 3g6e h ALA 67 N 0.76 1.16 -0.09 1.25 0.00 -1.55 -2.96 119.26 117.83 3g6e h ALA 67 Ca -0.02 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 3g6e h ALA 67 Cb 1.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3g6e h ALA 67 CO 0.13 0.59 -0.39 -0.44 0.00 0.00 0.00 179.25 179.14 3g6e h ASP 68 N 0.00 0.20 -0.08 0.00 3.32 -1.66 -1.51 116.42 116.68 3g6e h ASP 68 Ca -0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3g6e h ASP 68 Cb 0.86 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3g6e h ASP 68 CO 0.06 0.58 0.00 -1.84 -1.72 0.00 0.00 179.24 176.32 3g6e n GLU 69 N -4.05 2.12 -0.01 3.56 0.28 -1.18 -3.95 120.64 117.41 3g6e n GLU 69 Ca -0.01 -1.63 0.01 0.00 -0.16 0.00 0.00 57.16 55.36 3g6e n GLU 69 Cb 0.46 -1.47 0.01 0.00 1.43 0.00 0.00 31.44 31.87 3g6e n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3g6e n LYS 70 N 0.95 0.51 -0.72 3.44 4.76 -1.09 -5.01 118.16 121.01 3g6e n LYS 70 Ca 0.16 -0.95 0.00 0.00 -2.87 0.00 0.00 58.31 54.66 3g6e n LYS 70 Cb 0.51 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.66 3g6e n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3g6e n GLY 71 N -0.03 0.42 3.68 0.72 0.00 -0.63 -4.98 105.19 104.37 3g6e n GLY 71 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3g6e n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g6e s VAL 72 N -2.26 4.40 0.37 1.61 1.01 -0.82 -5.01 120.40 119.70 3g6e s VAL 72 Ca 0.00 1.70 -0.25 0.00 0.00 0.00 0.00 61.98 63.43 3g6e s VAL 72 Cb 0.00 -4.10 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 3g6e s VAL 72 CO 0.00 -0.02 1.03 -2.84 0.00 0.00 0.00 175.10 173.28 3g6e s PRO 73 N 2.29 4.31 0.07 2.72 0.02 -1.26 -4.48 135.00 138.68 3g6e s PRO 73 Ca 0.54 1.51 0.05 0.00 0.02 0.00 0.00 61.00 63.12 3g6e s PRO 73 Cb -0.23 -2.68 -0.03 0.00 0.02 0.00 0.00 34.50 31.58 3g6e s PRO 73 CO 0.20 -0.01 -0.15 -0.59 -0.33 0.00 0.00 177.00 176.12 3g6e s PHE 74 N -1.58 1.27 0.02 6.54 -0.12 -1.26 -1.45 117.98 121.40 3g6e s PHE 74 Ca 0.54 -0.45 0.02 0.00 -0.05 0.00 0.00 56.93 56.99 3g6e s PHE 74 Cb -0.23 -0.71 -0.02 0.00 -0.63 0.00 0.00 43.02 41.43 3g6e s PHE 74 CO 0.29 0.07 -0.07 -1.50 -0.05 0.00 0.00 175.22 173.96 3g6e s ILE 75 N -1.25 0.52 -0.15 -4.49 2.07 -0.77 -4.99 121.20 112.13 3g6e s ILE 75 Ca -0.01 -0.71 -0.14 0.00 -1.41 0.00 0.00 60.65 58.38 3g6e s ILE 75 Cb -0.10 -0.52 -0.05 0.00 0.13 0.00 0.00 42.46 41.92 3g6e s ILE 75 CO 0.02 -0.14 0.31 -0.36 -1.91 0.00 0.00 174.94 172.86 3g6e s PHE 76 N -0.81 3.47 -0.07 3.50 2.99 -1.26 -1.85 117.98 123.96 3g6e s PHE 76 Ca -0.04 0.63 -0.00 0.00 0.00 0.00 0.00 56.93 57.52 3g6e s PHE 76 Cb -0.06 -2.36 -0.03 0.00 0.00 0.00 0.00 43.02 40.57 3g6e s PHE 76 CO 0.00 0.25 -0.03 0.08 -0.00 0.00 0.00 175.22 175.52 3g6e s VAL 77 N 0.43 4.04 0.02 -0.44 1.01 0.38 -4.82 120.40 121.03 3g6e s VAL 77 Ca 0.18 -0.39 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 3g6e s VAL 77 Cb -0.13 -2.69 -0.16 0.00 0.00 0.00 0.00 36.38 33.39 3g6e s VAL 77 CO 0.05 0.57 1.37 -0.33 0.00 0.00 0.00 175.10 176.76 3g6e h GLU 78 N 5.09 0.16 -6.31 2.72 4.39 -1.95 0.11 114.58 118.79 3g6e h GLU 78 Ca -0.50 -0.07 -0.67 0.00 0.34 0.00 0.00 59.36 58.46 3g6e h GLU 78 Cb 1.18 -0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.67 3g6e h GLU 78 CO 0.54 0.53 -0.70 -0.65 -1.16 0.00 0.00 179.01 177.57 3g6e s GLN 79 N -4.55 2.52 0.13 2.33 -0.21 -1.26 -3.13 119.66 115.49 3g6e s GLN 79 Ca -0.15 -0.76 -0.12 0.00 0.02 0.00 0.00 55.36 54.35 3g6e s GLN 79 Cb 0.04 -2.50 -0.05 0.00 1.00 0.00 0.00 33.01 31.50 3g6e s GLN 79 CO 0.71 0.59 1.46 0.37 -2.12 0.00 0.00 175.29 176.30 3g6e h GLN 80 N 4.30 0.86 0.00 2.91 4.15 -1.89 -3.21 115.11 122.23 3g6e h GLN 80 Ca -0.48 -0.44 -0.08 0.00 0.77 0.00 0.00 58.65 58.42 3g6e h GLN 80 Cb 1.17 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 3g6e h GLN 80 CO 0.54 1.08 -0.36 -0.44 -1.93 0.00 0.00 178.83 177.72 3g6e h ASP 81 N 0.65 0.00 0.39 -0.69 3.32 -1.92 -1.84 116.42 116.34 3g6e h ASP 81 Ca 0.06 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.93 3g6e h ASP 81 Cb 0.90 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 3g6e h ASP 81 CO 0.08 0.36 -0.78 0.44 -1.72 0.00 0.00 179.24 177.62 3g6e h ASP 82 N 0.00 0.38 0.81 6.45 3.32 -1.93 -2.11 116.42 123.33 3g6e h ASP 82 Ca -0.00 -0.27 -0.17 0.00 0.02 0.00 0.00 57.03 56.61 3g6e h ASP 82 Cb 0.96 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 3g6e h ASP 82 CO 0.05 1.02 -0.79 0.25 -1.72 0.00 0.00 179.24 178.05 3g6e h LEU 83 N 0.20 0.00 -0.09 1.55 5.85 -1.55 -2.12 115.31 119.14 3g6e h LEU 83 Ca -0.04 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.44 3g6e h LEU 83 Cb 1.37 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.41 3g6e h LEU 83 CO 0.13 0.79 -0.99 1.23 -0.34 0.00 0.00 178.44 179.25 3g6e h GLY 84 N 2.40 0.60 1.31 3.75 0.00 -1.42 -2.51 103.07 107.20 3g6e h GLY 84 Ca -0.01 -1.06 -0.17 0.00 0.00 0.00 0.00 47.33 46.10 3g6e h GLY 84 CO 0.10 0.93 -0.50 0.84 0.00 0.00 0.00 176.54 177.92 3g6e h HIS 85 N 0.30 0.91 0.00 5.60 -0.00 -1.38 0.90 115.15 121.48 3g6e h HIS 85 Ca -0.10 -0.31 -0.05 0.00 -0.00 0.00 0.00 60.37 59.91 3g6e h HIS 85 Cb 1.64 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 28.86 3g6e h HIS 85 CO 0.08 1.09 -0.23 0.00 -0.00 0.00 0.00 177.93 178.86 3g6e h ALA 86 N 0.86 1.14 0.00 5.26 0.00 -1.41 -1.83 119.26 123.28 3g6e h ALA 86 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3g6e h ALA 86 Cb 1.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3g6e h ALA 86 CO 0.10 0.29 -0.52 0.00 0.00 0.00 0.00 179.25 179.13 3g6e n ALA 87 N -2.28 3.07 -0.78 0.00 0.00 -0.95 -3.76 120.51 115.81 3g6e n ALA 87 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3g6e n ALA 87 Cb 0.37 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3g6e n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g6e n GLY 88 N 1.40 1.20 3.45 0.00 0.00 -0.69 -5.00 105.19 105.56 3g6e n GLY 88 Ca 0.04 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 3g6e n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g6e s LEU 89 N -0.18 2.53 0.15 0.99 1.43 0.27 -5.01 118.68 118.85 3g6e s LEU 89 Ca 0.00 -0.87 0.04 0.00 -1.03 0.00 0.00 54.13 52.26 3g6e s LEU 89 Cb 0.00 -1.21 -0.07 0.00 0.03 0.00 0.00 46.19 44.94 3g6e s LEU 89 CO 0.00 0.10 1.34 -0.33 0.23 0.00 0.00 176.35 177.69 3g6e h GLU 90 N 2.96 0.13 -7.00 1.70 5.08 -1.96 -3.33 114.58 112.16 3g6e h GLU 90 Ca -0.45 -0.16 -0.48 0.00 -1.00 0.00 0.00 59.36 57.27 3g6e h GLU 90 Cb 1.22 0.05 0.07 0.00 0.50 0.00 0.00 28.75 30.59 3g6e h GLU 90 CO 0.51 0.97 0.06 0.08 -1.00 0.00 0.00 179.01 179.63 3g6e s VAL 91 N -3.02 2.10 0.67 3.13 1.01 -1.26 -4.95 120.40 118.07 3g6e s VAL 91 Ca -0.02 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 3g6e s VAL 91 Cb 0.10 -2.39 0.08 0.00 0.00 0.00 0.00 36.38 34.17 3g6e s VAL 91 CO 0.83 0.00 0.93 -0.83 0.00 0.00 0.00 175.10 176.03 3g6e s GLY 92 N -4.74 1.77 -0.05 4.51 0.00 -1.26 -4.28 107.32 103.27 3g6e s GLY 92 Ca 0.66 -1.40 -0.02 0.00 0.00 0.00 0.00 44.72 43.96 3g6e s GLY 92 CO 0.43 -0.96 0.11 -0.45 0.00 0.00 0.00 173.10 172.23 3g6e s SER 93 N -4.59 -0.06 0.15 1.64 0.15 -0.72 -4.79 113.70 105.48 3g6e s SER 93 Ca 0.62 0.21 0.05 0.00 0.70 0.00 0.00 55.95 57.54 3g6e s SER 93 Cb -0.08 0.13 -0.08 0.00 -1.71 0.00 0.00 66.02 64.27 3g6e s SER 93 CO 0.43 -0.12 1.34 0.00 1.20 0.00 0.00 173.24 176.09 3g6e h ALA 94 N 6.97 0.46 -2.43 5.45 0.00 -1.96 -3.41 119.26 124.34 3g6e h ALA 94 Ca -0.39 -0.81 -0.10 0.00 0.00 0.00 0.00 54.91 53.61 3g6e h ALA 94 Cb 1.15 -0.11 -0.22 0.00 0.00 0.00 0.00 17.79 18.61 3g6e h ALA 94 CO 0.44 1.07 -0.11 0.00 0.00 0.00 0.00 179.25 180.65 3g6e s ALA 95 N -2.96 -1.22 0.08 0.00 0.00 -1.26 -1.03 121.76 115.36 3g6e s ALA 95 Ca -0.01 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.11 3g6e s ALA 95 Cb 0.10 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 3g6e s ALA 95 CO 0.82 -0.27 -0.09 0.00 0.00 0.00 0.00 175.76 176.22 3g6e s ALA 96 N -0.38 0.92 -0.00 0.00 0.00 -0.52 -1.20 121.76 120.59 3g6e s ALA 96 Ca -0.05 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.85 3g6e s ALA 96 Cb -0.03 0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.13 3g6e s ALA 96 CO 0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 175.76 175.69 3g6e s ALA 97 N -2.27 0.40 -0.50 0.00 0.00 0.43 0.34 121.76 120.15 3g6e s ALA 97 Ca 0.01 -0.22 -0.16 0.00 0.00 0.00 0.00 51.96 51.59 3g6e s ALA 97 Cb -0.04 -0.10 0.09 0.00 0.00 0.00 0.00 23.12 23.08 3g6e s ALA 97 CO -0.01 0.09 0.46 0.08 0.00 0.00 0.00 175.76 176.39 3g6e s VAL 98 N -0.14 5.18 -0.74 0.00 1.01 -0.04 0.23 120.40 125.91 3g6e s VAL 98 Ca 0.02 -1.18 -0.19 0.00 0.00 0.00 0.00 61.98 60.63 3g6e s VAL 98 Cb -0.02 -4.23 0.12 0.00 0.00 0.00 0.00 36.38 32.25 3g6e s VAL 98 CO -0.00 -0.72 0.89 0.28 0.00 0.00 0.00 175.10 175.55 3g6e s THR 99 N 1.74 4.80 -0.17 3.92 -1.32 -0.73 -0.82 115.64 123.05 3g6e s THR 99 Ca 0.05 -1.24 -0.12 0.00 -1.21 0.00 0.00 61.69 59.17 3g6e s THR 99 Cb -0.26 -4.61 0.04 0.00 -1.51 0.00 0.00 72.50 66.16 3g6e s THR 99 CO 0.06 -1.29 0.23 0.47 -2.21 0.00 0.00 174.62 171.88 3g6e n ASP 100 N 6.36 -0.37 -4.72 8.08 9.92 -1.25 -3.89 116.55 130.68 3g6e n ASP 100 Ca 0.05 1.22 -0.31 0.00 -0.53 0.00 0.00 54.79 55.22 3g6e n ASP 100 Cb 0.46 -4.86 0.13 0.00 -0.64 0.00 0.00 41.12 36.20 3g6e n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3g6e s ALA 101 N -0.60 1.74 -0.07 2.24 0.00 -1.26 -3.21 121.76 120.61 3g6e s ALA 101 Ca -0.27 0.23 -0.01 0.00 0.00 0.00 0.00 51.96 51.90 3g6e s ALA 101 Cb 0.02 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.88 3g6e s ALA 101 CO 0.72 -2.26 0.01 0.20 0.00 0.00 0.00 175.76 174.43 3g6e s GLY 102 N -3.20 0.43 -1.56 0.00 0.00 -1.26 -4.74 107.32 97.00 3g6e s GLY 102 Ca 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 45.28 3g6e s GLY 102 CO 0.57 1.16 0.00 1.18 0.00 0.00 0.00 173.10 176.01 3g6e n GLU 103 N 5.13 -1.57 0.00 2.90 1.02 -1.26 -4.42 120.64 122.44 3g6e n GLU 103 Ca -0.07 0.87 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 3g6e n GLU 103 Cb 0.50 -5.27 0.00 0.00 -0.02 0.00 0.00 31.44 26.65 3g6e n GLU 103 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g6e n ALA 104 N -0.20 0.69 0.27 0.62 0.00 -1.26 -4.87 120.51 115.76 3g6e n ALA 104 Ca -0.17 -0.33 0.15 0.00 0.00 0.00 0.00 53.44 53.09 3g6e n ALA 104 Cb 0.56 0.00 0.89 0.00 0.00 0.00 0.00 19.45 20.89 3g6e n ALA 104 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3g6e h ASP 105 N 0.00 0.00 0.50 0.00 3.32 -1.86 0.14 116.42 118.52 3g6e h ASP 105 Ca 0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 3g6e h ASP 105 Cb 0.84 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 3g6e h ASP 105 CO 0.00 0.00 -1.43 0.00 -1.72 0.00 0.00 179.24 176.09 3g6e h ALA 106 N 1.94 0.19 -0.05 3.45 0.00 -1.99 -3.03 119.26 119.77 3g6e h ALA 106 Ca 0.02 -1.02 -0.16 0.00 0.00 0.00 0.00 54.91 53.75 3g6e h ALA 106 Cb 0.12 0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.10 3g6e h ALA 106 CO -0.00 1.06 -0.60 -0.44 0.00 0.00 0.00 179.25 179.27 3g6e h ASP 107 N 0.07 0.62 -0.68 0.00 3.32 -1.61 -2.91 116.42 115.24 3g6e h ASP 107 Ca -0.21 -0.70 -0.02 0.00 0.02 0.00 0.00 57.03 56.12 3g6e h ASP 107 Cb 2.01 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 41.34 3g6e h ASP 107 CO 0.18 1.23 0.34 0.58 -1.72 0.00 0.00 179.24 179.85 3g6e h VAL 108 N 0.07 1.22 -0.26 -1.35 2.07 -0.91 -0.88 116.25 116.21 3g6e h VAL 108 Ca -0.06 -0.62 -0.10 0.00 0.82 0.00 0.00 66.70 66.75 3g6e h VAL 108 Cb 1.27 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3g6e h VAL 108 CO 0.12 0.26 -0.25 -0.08 0.02 0.00 0.00 177.57 177.65 3g6e h GLU 109 N 0.99 0.49 0.02 1.57 4.81 -1.57 -1.45 114.58 119.44 3g6e h GLU 109 Ca 0.24 -0.18 -0.22 0.00 -0.13 0.00 0.00 59.36 59.08 3g6e h GLU 109 Cb 0.09 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3g6e h GLU 109 CO -0.03 0.70 -0.94 -0.44 -0.73 0.00 0.00 179.01 177.57 3g6e h ASP 110 N 0.43 0.36 -0.27 1.04 3.32 -1.17 -2.59 116.42 117.54 3g6e h ASP 110 Ca 0.06 -0.30 -0.15 0.00 0.02 0.00 0.00 57.03 56.66 3g6e h ASP 110 Cb 0.66 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3g6e h ASP 110 CO 0.05 1.12 -0.39 0.40 -1.72 0.00 0.00 179.24 178.69 3g6e h ILE 111 N 0.14 1.28 -0.05 0.35 2.04 -0.98 -0.19 117.51 120.10 3g6e h ILE 111 Ca -0.06 -1.57 -0.08 0.00 1.00 0.00 0.00 64.86 64.15 3g6e h ILE 111 Cb 1.59 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 3g6e h ILE 111 CO 0.15 0.51 -0.35 0.00 0.00 0.00 0.00 178.15 178.47 3g6e h ALA 112 N 0.89 1.33 0.00 1.87 0.00 -1.27 -2.37 119.26 119.71 3g6e h ALA 112 Ca 0.05 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 3g6e h ALA 112 Cb 0.96 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3g6e h ALA 112 CO 0.09 0.48 -0.87 -0.44 0.00 0.00 0.00 179.25 178.51 3g6e h ASP 113 N 0.08 0.00 1.29 0.00 3.32 -1.16 -3.24 116.42 116.72 3g6e h ASP 113 Ca 0.01 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 3g6e h ASP 113 Cb 0.65 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 3g6e h ASP 113 CO 0.05 0.63 -0.64 0.11 -1.72 0.00 0.00 179.24 177.66 3g6e h LYS 114 N 0.00 0.00 -0.01 3.56 1.57 -0.73 -3.25 116.57 117.71 3g6e h LYS 114 Ca -0.06 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.51 3g6e h LYS 114 Cb 1.53 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.84 3g6e h LYS 114 CO 0.07 0.64 -0.91 0.28 -0.57 0.00 0.00 179.45 178.96 3g6e h VAL 115 N 0.00 1.42 0.00 0.50 2.07 -1.52 -3.13 116.25 115.58 3g6e h VAL 115 Ca -0.01 -2.45 -0.08 0.00 0.82 0.00 0.00 66.70 64.98 3g6e h VAL 115 Cb 1.46 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 33.62 3g6e h VAL 115 CO 0.08 0.73 -0.37 -0.33 0.02 0.00 0.00 177.57 177.71 3g6e h GLU 116 N 0.21 0.00 0.00 1.57 4.39 -1.63 -2.21 114.58 116.91 3g6e h GLU 116 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3g6e h GLU 116 Cb 1.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 3g6e h GLU 116 CO 0.15 0.37 0.00 0.93 -1.16 0.00 0.00 179.01 179.30 3g6e h GLU 117 N 0.00 0.00 -0.51 2.33 5.08 -1.59 -2.86 114.58 117.03 3g6e h GLU 117 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3g6e h GLU 117 Cb 0.80 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 3g6e h GLU 117 CO 0.05 0.00 0.00 -0.11 -1.00 0.00 0.00 179.01 177.95 3g6e n LEU 118 N -2.87 5.37 0.00 1.33 7.94 -0.85 -5.12 117.00 122.79 3g6e n LEU 118 Ca 0.04 -2.96 0.00 0.00 -1.11 0.00 0.00 56.01 51.97 3g6e n LEU 118 Cb 0.46 -0.66 0.00 0.00 0.53 0.00 0.00 43.42 43.75 3g6e n LEU 118 CO 0.32 0.64 0.00 -1.14 -1.11 0.00 0.00 177.39 176.10