#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cck s ALA 3 N 0.00 -1.64 -0.39 7.33 0.00 -1.20 -4.98 121.76 120.88 2cck s ALA 3 Ca 0.00 2.11 -0.10 0.00 0.00 0.00 0.00 51.96 53.98 2cck s ALA 3 Cb 0.00 -1.25 0.05 0.00 0.00 0.00 0.00 23.12 21.92 2cck s ALA 3 CO 0.00 -0.34 0.22 0.12 0.00 0.00 0.00 175.76 175.76 2cck s PHE 4 N 1.35 3.29 -0.16 0.00 5.36 -1.26 0.06 117.98 126.61 2cck s PHE 4 Ca -0.08 -1.27 -0.01 0.00 -0.96 0.00 0.00 56.93 54.61 2cck s PHE 4 Cb -0.06 -2.67 -0.00 0.00 -0.34 0.00 0.00 43.02 39.95 2cck s PHE 4 CO -0.15 -0.75 -0.13 0.42 -1.46 0.00 0.00 175.22 173.15 2cck s ILE 5 N 1.48 2.82 0.14 3.12 1.01 -0.21 -0.04 121.20 129.53 2cck s ILE 5 Ca 0.02 -0.71 0.07 0.00 0.00 0.00 0.00 60.65 60.02 2cck s ILE 5 Cb -0.21 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 2cck s ILE 5 CO 0.04 0.50 -0.01 0.42 0.00 0.00 0.00 174.94 175.89 2cck s THR 6 N 0.89 3.74 -0.15 2.92 -4.23 -0.81 0.03 115.64 118.03 2cck s THR 6 Ca -0.03 -1.30 -0.00 0.00 -1.18 0.00 0.00 61.69 59.17 2cck s THR 6 Cb -0.15 -2.84 -0.01 0.00 1.34 0.00 0.00 72.50 70.84 2cck s THR 6 CO -0.01 -0.03 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.55 2cck s PHE 7 N -1.56 2.81 0.30 3.99 0.40 0.88 -1.04 117.98 123.76 2cck s PHE 7 Ca 0.26 -0.87 0.08 0.00 -0.60 0.00 0.00 56.93 55.80 2cck s PHE 7 Cb -0.10 -1.90 -0.06 0.00 0.51 0.00 0.00 43.02 41.47 2cck s PHE 7 CO 0.18 -0.38 -0.08 -1.21 0.70 0.00 0.00 175.22 174.43 2cck s GLU 8 N 0.70 1.63 0.00 0.44 0.41 0.76 -1.83 118.70 120.81 2cck s GLU 8 Ca -0.06 -1.82 0.00 0.00 -0.41 0.00 0.00 54.97 52.68 2cck s GLU 8 Cb -0.15 -1.35 0.00 0.00 -1.78 0.00 0.00 34.13 30.84 2cck s GLU 8 CO 0.02 0.09 0.00 0.41 -0.49 0.00 0.00 175.26 175.29 2cck n GLY 9 N -0.64 3.95 3.86 -1.39 0.00 -1.26 -1.34 105.19 108.37 2cck n GLY 9 Ca -0.05 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 2cck n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cck s PRO 10 N -2.73 1.42 0.47 1.61 0.04 -1.26 -4.94 135.00 129.61 2cck s PRO 10 Ca 0.00 0.10 -0.25 0.00 0.04 0.00 0.00 61.00 60.89 2cck s PRO 10 Cb 0.00 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.57 2cck s PRO 10 CO 0.00 -1.97 1.43 -2.00 0.04 0.00 0.00 177.00 174.50 2cck s GLU 11 N -5.52 3.60 0.00 4.56 2.12 -1.26 -2.25 118.70 119.95 2cck s GLU 11 Ca 0.64 2.43 0.00 0.00 0.36 0.00 0.00 54.97 58.40 2cck s GLU 11 Cb -0.11 -2.60 0.00 0.00 0.26 0.00 0.00 34.13 31.67 2cck s GLU 11 CO 0.51 -0.89 0.00 0.41 -0.54 0.00 0.00 175.26 174.75 2cck n GLY 12 N 0.59 0.51 0.82 -1.50 0.00 -1.26 -4.80 105.19 99.56 2cck n GLY 12 Ca 0.06 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.03 2cck n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cck n SER 13 N 0.31 2.55 0.00 1.61 3.41 -0.95 -4.25 113.62 116.30 2cck n SER 13 Ca 0.00 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.77 2cck n SER 13 Cb 0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2cck n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cck n GLY 14 N 1.30 0.77 0.34 5.00 0.00 -1.26 -4.88 105.19 106.46 2cck n GLY 14 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 2cck n GLY 14 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2cck h LYS 15 N 2.20 -0.01 -0.16 1.61 3.64 -1.92 -0.35 116.57 121.58 2cck h LYS 15 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2cck h LYS 15 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2cck h LYS 15 CO 0.00 -0.01 0.10 1.15 -2.27 0.00 0.00 179.45 178.42 2cck h THR 16 N -0.01 1.08 -0.76 1.00 2.02 -1.98 -1.20 112.91 113.06 2cck h THR 16 Ca 0.40 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.35 2cck h THR 16 Cb 0.64 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 2cck h THR 16 CO -0.91 0.08 0.39 0.74 0.37 0.00 0.00 175.52 176.19 2cck h THR 17 N 0.18 1.24 0.05 3.16 2.02 -1.74 -2.70 112.91 115.12 2cck h THR 17 Ca 0.06 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 2cck h THR 17 Cb 0.04 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2cck h THR 17 CO -0.01 0.27 -0.02 0.58 0.37 0.00 0.00 175.52 176.71 2cck h VAL 18 N 1.06 1.14 -0.51 3.16 2.07 -0.83 -0.93 116.25 121.41 2cck h VAL 18 Ca 0.26 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 2cck h VAL 18 Cb 0.07 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2cck h VAL 18 CO -0.04 0.15 0.32 -0.29 0.02 0.00 0.00 177.57 177.73 2cck h ILE 19 N -0.33 1.15 0.01 4.57 2.10 -1.24 0.17 117.51 123.93 2cck h ILE 19 Ca -0.01 -0.32 -0.00 0.00 1.08 0.00 0.00 64.86 65.62 2cck h ILE 19 Cb 0.30 0.45 0.00 0.00 -1.09 0.00 0.00 36.82 36.47 2cck h ILE 19 CO 0.01 0.15 -0.00 0.78 -1.08 0.00 0.00 178.15 178.01 2cck h ASN 20 N 0.68 -0.01 -0.68 2.19 4.21 -1.47 0.25 115.58 120.77 2cck h ASN 20 Ca 0.18 -0.07 -0.05 0.00 1.21 0.00 0.00 56.30 57.57 2cck h ASN 20 Cb -0.03 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.14 2cck h ASN 20 CO -0.04 0.07 0.23 -0.33 -1.29 0.00 0.00 177.43 176.07 2cck h GLU 21 N -0.08 1.04 -0.26 0.81 5.08 -1.01 -1.76 114.58 118.40 2cck h GLU 21 Ca -0.00 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.04 2cck h GLU 21 Cb 0.08 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2cck h GLU 21 CO 0.00 0.89 -0.29 0.28 -1.00 0.00 0.00 179.01 178.90 2cck h VAL 22 N 0.98 1.28 0.64 3.13 2.07 -0.51 -2.64 116.25 121.19 2cck h VAL 22 Ca 0.22 -1.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 2cck h VAL 22 Cb 0.27 1.39 0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2cck h VAL 22 CO -0.01 0.43 -0.31 0.22 0.02 0.00 0.00 177.57 177.92 2cck h TYR 23 N 0.45 -0.80 -0.88 1.57 3.20 -0.09 -1.05 116.97 119.38 2cck h TYR 23 Ca 0.06 -0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.07 2cck h TYR 23 Cb 0.73 0.26 -0.10 0.00 1.54 0.00 0.00 36.73 39.16 2cck h TYR 23 CO 0.03 -0.47 0.45 1.25 -1.64 0.00 0.00 178.16 177.78 2cck h HIS 24 N -0.95 0.79 -0.41 -3.82 2.76 -1.34 -1.20 115.15 110.98 2cck h HIS 24 Ca -0.09 0.04 -0.07 0.00 -2.20 0.00 0.00 60.37 58.05 2cck h HIS 24 Cb 0.69 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 2cck h HIS 24 CO -0.01 0.16 -0.00 -0.09 -1.30 0.00 0.00 177.93 176.68 2cck h ARG 25 N 0.61 0.72 -0.09 5.26 2.43 -1.28 -3.23 114.38 118.80 2cck h ARG 25 Ca 0.49 -0.23 -0.14 0.00 -0.81 0.00 0.00 59.98 59.30 2cck h ARG 25 Cb 0.74 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2cck h ARG 25 CO -0.39 0.81 -0.54 -0.07 -1.51 0.00 0.00 179.97 178.27 2cck h LEU 26 N 0.55 0.29 -2.08 3.80 3.38 -0.33 -3.17 115.31 117.75 2cck h LEU 26 Ca 0.12 -0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.02 2cck h LEU 26 Cb 0.48 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2cck h LEU 26 CO 0.02 0.78 0.34 1.62 0.09 0.00 0.00 178.44 181.29 2cck h VAL 27 N 0.20 0.39 0.00 1.22 3.04 -1.27 0.11 116.25 119.95 2cck h VAL 27 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2cck h VAL 27 Cb 1.02 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 2cck h VAL 27 CO 0.09 0.00 0.00 0.11 -1.01 0.00 0.00 177.57 176.76 2cck h LYS 28 N 0.00 0.00 0.00 4.17 1.57 -1.69 -3.32 116.57 117.30 2cck h LYS 28 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2cck h LYS 28 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2cck h LYS 28 CO -0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 2cck n ASP 29 N -2.77 0.13 -3.96 0.86 8.00 -0.05 -5.10 116.55 113.65 2cck n ASP 29 Ca 0.00 -1.04 -0.08 0.00 0.71 0.00 0.00 54.79 54.38 2cck n ASP 29 Cb 0.24 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.25 2cck n ASP 29 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2cck s TYR 30 N -0.04 0.30 -1.09 1.24 1.51 -0.74 -5.06 117.35 113.46 2cck s TYR 30 Ca 0.00 -0.73 -0.16 0.00 -1.01 0.00 0.00 57.07 55.16 2cck s TYR 30 Cb 0.00 -0.21 0.14 0.00 -0.11 0.00 0.00 41.96 41.79 2cck s TYR 30 CO 0.00 -0.42 1.33 0.34 -1.11 0.00 0.00 175.55 175.69 2cck s ASP 31 N -2.63 6.86 0.14 2.29 2.15 -1.26 -4.55 116.67 119.67 2cck s ASP 31 Ca 0.02 -2.52 0.10 0.00 0.43 0.00 0.00 52.55 50.58 2cck s ASP 31 Cb 0.04 -2.42 -0.04 0.00 -0.30 0.00 0.00 42.92 40.20 2cck s ASP 31 CO -0.09 -0.93 -0.22 0.54 -0.17 0.00 0.00 175.17 174.30 2cck s VAL 32 N 2.31 1.98 0.09 1.11 0.11 -1.26 -1.24 120.40 123.50 2cck s VAL 32 Ca 0.40 -1.78 0.01 0.00 -2.93 0.00 0.00 61.98 57.68 2cck s VAL 32 Cb -0.03 -1.83 -0.04 0.00 -1.53 0.00 0.00 36.38 32.94 2cck s VAL 32 CO -0.04 -0.10 -0.06 0.27 -3.33 0.00 0.00 175.10 171.85 2cck s ILE 33 N -1.45 0.58 -0.01 7.04 -4.36 -0.72 -4.89 121.20 117.39 2cck s ILE 33 Ca 0.13 -1.89 0.04 0.00 -0.26 0.00 0.00 60.65 58.67 2cck s ILE 33 Cb -0.09 -1.62 -0.01 0.00 1.25 0.00 0.00 42.46 41.99 2cck s ILE 33 CO 0.06 -0.89 -0.13 0.00 0.24 0.00 0.00 174.94 174.22 2cck s MET 34 N -3.81 1.08 0.04 0.37 0.23 -1.26 -1.29 119.30 114.66 2cck s MET 34 Ca 0.10 -0.47 0.00 0.00 -1.03 0.00 0.00 55.69 54.29 2cck s MET 34 Cb 0.06 -1.04 -0.03 0.00 -1.53 0.00 0.00 34.83 32.29 2cck s MET 34 CO -0.06 0.28 -0.04 -0.08 -2.03 0.00 0.00 175.02 173.10 2cck s THR 35 N -0.30 0.23 -0.24 3.16 -1.32 -0.47 -4.97 115.64 111.74 2cck s THR 35 Ca 0.05 -1.29 0.00 0.00 -1.21 0.00 0.00 61.69 59.24 2cck s THR 35 Cb -0.05 -0.81 0.06 0.00 -1.51 0.00 0.00 72.50 70.20 2cck s THR 35 CO -0.00 -0.68 -0.03 -0.60 -2.21 0.00 0.00 174.62 171.10 2cck s ARG 36 N -2.44 1.41 0.12 7.08 3.52 -1.26 -2.49 118.95 124.90 2cck s ARG 36 Ca -0.06 -0.95 -0.33 0.00 -0.13 0.00 0.00 55.73 54.26 2cck s ARG 36 Cb -0.03 -2.51 -0.18 0.00 -1.56 0.00 0.00 34.95 30.67 2cck s ARG 36 CO -0.04 -0.65 0.74 0.39 -0.81 0.00 0.00 175.30 174.93 2cck n GLU 37 N 4.72 0.00 -0.29 5.12 1.02 -1.26 0.84 120.64 130.79 2cck n GLU 37 Ca -0.10 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.06 2cck n GLU 37 Cb 0.44 -1.20 0.13 0.00 -0.02 0.00 0.00 31.44 30.79 2cck n GLU 37 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2cck n PRO 38 N 1.20 2.25 -2.07 3.49 -0.04 -1.26 -4.95 135.00 133.62 2cck n PRO 38 Ca 0.19 -1.03 -0.17 0.00 -0.04 0.00 0.00 63.50 62.45 2cck n PRO 38 Cb 0.18 -1.73 -0.03 0.00 -0.04 0.00 0.00 33.50 31.88 2cck n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cck n GLY 39 N 0.23 0.29 2.23 0.55 0.00 0.25 -1.94 105.19 106.80 2cck n GLY 39 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2cck n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cck n GLY 40 N -0.69 1.24 3.68 -0.02 0.00 -1.26 -4.93 105.19 103.21 2cck n GLY 40 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2cck n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cck s VAL 41 N -3.29 3.01 0.09 1.61 1.01 -0.82 -4.86 120.40 117.15 2cck s VAL 41 Ca 0.00 0.29 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 2cck s VAL 41 Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2cck s VAL 41 CO 0.00 -0.01 1.31 1.55 0.00 0.00 0.00 175.10 177.95 2cck h PRO 42 N 9.22 -0.02 -0.99 2.72 0.13 -1.94 0.20 132.00 141.32 2cck h PRO 42 Ca -0.45 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 64.89 2cck h PRO 42 Cb 1.21 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 2cck h PRO 42 CO 0.94 -0.01 0.62 1.79 -0.23 0.00 0.00 178.00 181.10 2cck h THR 43 N -0.02 0.68 -0.43 1.56 1.35 -1.98 0.17 112.91 114.23 2cck h THR 43 Ca 0.09 -0.22 -0.03 0.00 -0.55 0.00 0.00 66.41 65.70 2cck h THR 43 Cb 0.25 -0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 66.63 2cck h THR 43 CO -0.52 0.12 0.15 1.23 -0.25 0.00 0.00 175.52 176.24 2cck h GLY 44 N 0.64 0.70 1.41 5.82 0.00 -0.97 -1.27 103.07 109.40 2cck h GLY 44 Ca 0.56 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 47.42 2cck h GLY 44 CO -0.32 0.38 0.03 0.83 0.00 0.00 0.00 176.54 177.46 2cck h GLU 45 N 0.55 0.72 0.30 4.80 4.39 0.57 -1.05 114.58 124.86 2cck h GLU 45 Ca 0.14 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2cck h GLU 45 Cb 0.23 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2cck h GLU 45 CO -0.01 0.71 -0.14 0.93 -1.16 0.00 0.00 179.01 179.34 2cck h GLU 46 N 0.69 -0.39 -0.99 2.33 4.39 -1.08 -1.83 114.58 117.70 2cck h GLU 46 Ca 0.14 0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.99 2cck h GLU 46 Cb 0.37 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.03 2cck h GLU 46 CO 0.01 -0.06 0.61 0.82 -1.16 0.00 0.00 179.01 179.24 2cck h ILE 47 N -0.80 0.91 0.39 3.13 2.04 -1.16 -2.59 117.51 119.42 2cck h ILE 47 Ca -0.04 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2cck h ILE 47 Cb 0.51 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.46 2cck h ILE 47 CO 0.07 0.18 -0.19 -0.09 0.00 0.00 0.00 178.15 178.12 2cck h ARG 48 N 0.96 -0.50 -1.25 2.37 2.43 -1.20 -3.17 114.38 114.03 2cck h ARG 48 Ca 0.49 0.03 0.37 0.00 -0.81 0.00 0.00 59.98 60.06 2cck h ARG 48 Cb 0.49 0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 30.06 2cck h ARG 48 CO -0.27 -0.20 0.83 -0.22 -1.51 0.00 0.00 179.97 178.61 2cck h LYS 49 N -0.83 0.17 -0.83 0.20 3.64 -0.94 0.52 116.57 118.49 2cck h LYS 49 Ca -0.05 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2cck h LYS 49 Cb 0.54 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 2cck h LYS 49 CO 0.09 0.11 0.54 0.82 -2.27 0.00 0.00 179.45 178.74 2cck h ILE 50 N 0.17 1.22 -0.35 2.00 2.04 -1.48 0.88 117.51 121.99 2cck h ILE 50 Ca 0.70 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 66.09 2cck h ILE 50 Cb 2.23 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 2cck h ILE 50 CO -0.26 0.21 -0.01 0.58 0.00 0.00 0.00 178.15 178.68 2cck h VAL 51 N 1.13 1.26 -0.86 1.67 2.07 -0.05 -3.03 116.25 118.44 2cck h VAL 51 Ca 0.30 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 2cck h VAL 51 Cb -0.12 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 2cck h VAL 51 CO -0.06 0.33 0.46 -0.07 0.02 0.00 0.00 177.57 178.25 2cck h LEU 52 N 0.43 1.08 -0.74 2.57 3.38 -0.87 -1.31 115.31 119.84 2cck h LEU 52 Ca 0.10 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2cck h LEU 52 Cb 0.47 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2cck h LEU 52 CO 0.02 0.87 0.00 -0.62 0.09 0.00 0.00 178.44 178.80 2cck n GLU 53 N -4.33 1.01 0.00 1.13 1.02 0.25 -5.10 120.64 114.62 2cck n GLU 53 Ca 0.09 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2cck n GLU 53 Cb 0.10 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 2cck n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cck n GLY 54 N 0.14 0.87 0.00 0.62 0.00 -0.50 -5.04 105.19 101.28 2cck n GLY 54 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2cck n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cck n ASP 56 N 0.00 0.00 -4.68 1.61 8.00 -1.26 -5.08 116.55 115.15 2cck n ASP 56 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 2cck n ASP 56 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 2cck n ASP 56 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 2cck n MET 57 N 0.00 1.98 -1.70 -1.24 1.56 -1.26 -4.90 117.12 111.56 2cck n MET 57 Ca 0.00 0.70 -0.43 0.00 -0.27 0.00 0.00 57.70 57.69 2cck n MET 57 Cb 0.00 -2.25 -0.03 0.00 2.15 0.00 0.00 33.22 33.09 2cck n MET 57 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2cck n ASP 58 N 0.98 3.56 0.27 6.12 2.03 -1.26 -4.87 116.55 123.38 2cck n ASP 58 Ca 0.06 1.09 0.14 0.00 0.52 0.00 0.00 54.79 56.61 2cck n ASP 58 Cb 0.35 -1.52 0.78 0.00 -0.72 0.00 0.00 41.12 40.02 2cck n ASP 58 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2cck h ILE 59 N 3.58 0.46 -0.13 5.18 3.07 -1.99 -1.30 117.51 126.38 2cck h ILE 59 Ca -0.45 -0.44 -0.18 0.00 1.55 0.00 0.00 64.86 65.35 2cck h ILE 59 Cb 1.23 1.30 0.01 0.00 -0.27 0.00 0.00 36.82 39.09 2cck h ILE 59 CO 0.89 0.09 -0.61 0.03 -1.05 0.00 0.00 178.15 177.49 2cck h ARG 60 N 0.00 0.64 -0.36 0.16 3.08 -1.98 0.11 114.38 116.03 2cck h ARG 60 Ca -0.00 -0.52 0.04 0.00 0.07 0.00 0.00 59.98 59.58 2cck h ARG 60 Cb 0.29 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 2cck h ARG 60 CO 0.01 1.14 0.11 1.15 -1.07 0.00 0.00 179.97 181.30 2cck h THR 61 N 0.30 0.87 -0.43 2.04 2.02 -1.77 0.22 112.91 116.16 2cck h THR 61 Ca -0.04 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.09 2cck h THR 61 Cb 1.25 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 68.23 2cck h THR 61 CO 0.13 0.05 0.22 -0.33 0.37 0.00 0.00 175.52 175.96 2cck h GLU 62 N 0.25 0.44 -0.92 6.66 5.08 -1.08 -0.98 114.58 124.03 2cck h GLU 62 Ca 0.16 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2cck h GLU 62 Cb 0.15 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 2cck h GLU 62 CO -0.18 0.29 0.61 0.00 -1.00 0.00 0.00 179.01 178.72 2cck h ALA 63 N 1.22 1.18 -0.41 3.43 0.00 -0.00 -0.44 119.26 124.24 2cck h ALA 63 Ca 0.18 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 2cck h ALA 63 Cb 0.08 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2cck h ALA 63 CO -0.12 0.54 -0.23 0.52 0.00 0.00 0.00 179.25 179.96 2cck h MET 64 N 1.22 0.88 -0.35 0.00 2.86 -0.56 -0.91 114.93 118.07 2cck h MET 64 Ca 0.34 -0.40 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2cck h MET 64 Cb -0.10 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 2cck h MET 64 CO -0.09 1.04 0.11 -0.07 1.06 0.00 0.00 176.91 178.96 2cck h LEU 65 N 0.70 0.51 -1.78 1.22 3.38 -0.84 0.54 115.31 119.05 2cck h LEU 65 Ca 0.09 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2cck h LEU 65 Cb 0.79 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2cck h LEU 65 CO 0.07 0.58 -0.12 -0.26 0.09 0.00 0.00 178.44 178.80 2cck h PHE 66 N 0.41 0.00 -0.10 1.13 0.05 -1.05 0.24 116.94 117.63 2cck h PHE 66 Ca 0.11 0.00 -0.22 0.00 3.82 0.00 0.00 57.97 61.68 2cck h PHE 66 Cb 0.26 0.00 0.01 0.00 2.00 0.00 0.00 35.95 38.22 2cck h PHE 66 CO 0.01 0.12 -0.81 0.00 -0.18 0.00 0.00 178.31 177.45 2cck h ALA 67 N 1.88 0.24 -0.27 2.45 0.00 -0.25 -1.81 119.26 121.51 2cck h ALA 67 Ca -0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 2cck h ALA 67 Cb 0.42 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2cck h ALA 67 CO 0.02 0.63 0.12 0.00 0.00 0.00 0.00 179.25 180.02 2cck h ALA 68 N 0.49 0.35 -0.75 0.00 0.00 0.12 -2.23 119.26 117.25 2cck h ALA 68 Ca -0.07 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2cck h ALA 68 Cb 1.45 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 2cck h ALA 68 CO 0.16 -0.08 0.47 1.03 0.00 0.00 0.00 179.25 180.83 2cck h SER 69 N 0.29 0.77 -0.66 0.00 0.87 -0.99 -2.13 113.55 111.71 2cck h SER 69 Ca 0.09 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 2cck h SER 69 Cb 0.13 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.89 2cck h SER 69 CO -0.01 0.53 0.35 -0.09 -0.53 0.00 0.00 176.83 177.08 2cck h ARG 70 N 0.92 0.95 -0.20 2.24 2.43 -1.01 -2.25 114.38 117.46 2cck h ARG 70 Ca 0.30 -0.12 -0.15 0.00 -0.81 0.00 0.00 59.98 59.20 2cck h ARG 70 Cb 0.02 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 2cck h ARG 70 CO -0.11 0.72 -0.47 -0.09 -1.51 0.00 0.00 179.97 178.51 2cck h ARG 71 N 0.96 0.68 -0.45 0.20 2.43 -0.81 -0.82 114.38 116.56 2cck h ARG 71 Ca 0.24 -0.46 0.05 0.00 -0.81 0.00 0.00 59.98 59.00 2cck h ARG 71 Cb 0.07 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 2cck h ARG 71 CO -0.03 1.08 0.18 0.93 -1.51 0.00 0.00 179.97 180.62 2cck h GLU 72 N 0.37 0.36 -0.81 0.20 4.39 -1.25 0.32 114.58 118.16 2cck h GLU 72 Ca -0.00 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2cck h GLU 72 Cb 1.08 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.61 2cck h GLU 72 CO 0.10 0.24 0.47 1.25 -1.16 0.00 0.00 179.01 179.91 2cck h HIS 73 N 0.37 1.09 0.20 4.33 2.76 -1.38 0.58 115.15 123.10 2cck h HIS 73 Ca 0.21 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 2cck h HIS 73 Cb 0.17 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 28.78 2cck h HIS 73 CO -0.14 0.74 -0.09 1.25 -1.30 0.00 0.00 177.93 178.39 2cck h LEU 74 N 1.13 -0.22 -0.24 0.26 5.85 0.38 -2.01 115.31 120.47 2cck h LEU 74 Ca 0.29 -0.23 -0.19 0.00 0.84 0.00 0.00 57.88 58.59 2cck h LEU 74 Cb -0.01 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2cck h LEU 74 CO -0.05 0.13 -0.58 0.58 -0.34 0.00 0.00 178.44 178.17 2cck h VAL 75 N -0.60 1.28 0.00 1.05 2.07 -0.32 0.56 116.25 120.29 2cck h VAL 75 Ca -0.03 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.71 2cck h VAL 75 Cb 0.44 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2cck h VAL 75 CO 0.04 0.57 -0.42 0.18 0.02 0.00 0.00 177.57 177.97 2cck n LEU 76 N -4.03 0.64 0.07 2.57 4.77 0.19 -4.33 117.00 116.88 2cck n LEU 76 Ca -0.06 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2cck n LEU 76 Cb 0.65 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2cck n LEU 76 CO 0.50 -0.06 -0.06 1.17 -1.33 0.00 0.00 177.39 177.62 2cck n LYS 77 N -2.02 0.00 0.26 3.23 4.81 -0.81 -4.80 118.16 118.83 2cck n LYS 77 Ca 0.04 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.33 2cck n LYS 77 Cb 0.42 -0.16 -0.08 0.00 0.02 0.00 0.00 35.03 35.22 2cck n LYS 77 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2cck h VAL 78 N 0.00 0.48 -0.09 3.15 2.07 -1.22 -2.61 116.25 118.04 2cck h VAL 78 Ca 0.00 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.27 2cck h VAL 78 Cb 0.12 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 2cck h VAL 78 CO 0.00 0.05 -0.12 0.40 0.02 0.00 0.00 177.57 177.91 2cck h ILE 79 N -0.83 0.66 -0.98 4.57 2.04 -1.14 0.63 117.51 122.47 2cck h ILE 79 Ca -0.07 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.89 2cck h ILE 79 Cb 0.57 0.66 -0.08 0.00 -0.74 0.00 0.00 36.82 37.24 2cck h ILE 79 CO 0.11 0.00 0.62 -0.65 0.00 0.00 0.00 178.15 178.23 2cck h PRO 80 N -0.17 1.01 -0.33 2.37 0.11 -1.75 0.77 132.00 134.01 2cck h PRO 80 Ca 0.08 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.02 2cck h PRO 80 Cb 0.27 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 2cck h PRO 80 CO -0.19 0.67 -0.24 0.00 -0.21 0.00 0.00 178.00 178.03 2cck h ALA 81 N 1.49 0.96 -0.45 -0.75 0.00 -1.01 -2.44 119.26 117.06 2cck h ALA 81 Ca 0.46 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 2cck h ALA 81 Cb 0.34 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2cck h ALA 81 CO -0.22 0.61 -0.20 -0.07 0.00 0.00 0.00 179.25 179.36 2cck h LEU 82 N 0.57 0.91 -1.80 0.00 3.38 0.38 -2.16 115.31 116.59 2cck h LEU 82 Ca 0.08 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2cck h LEU 82 Cb 0.72 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2cck h LEU 82 CO 0.06 1.08 0.00 0.11 0.09 0.00 0.00 178.44 179.78 2cck h LYS 83 N 0.78 0.00 -0.39 1.13 1.57 -0.62 -1.33 116.57 117.71 2cck h LYS 83 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2cck h LYS 83 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2cck h LYS 83 CO 0.06 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.33 2cck n GLU 84 N -2.99 1.79 -0.97 3.15 1.02 -0.85 -4.88 120.64 116.90 2cck n GLU 84 Ca -0.00 -1.01 0.00 0.00 -0.02 0.00 0.00 57.16 56.13 2cck n GLU 84 Cb 0.23 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2cck n GLU 84 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cck n GLY 85 N 0.79 0.61 3.84 0.62 0.00 -0.50 -5.02 105.19 105.52 2cck n GLY 85 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2cck n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cck s LYS 86 N -0.21 3.70 -0.11 1.61 1.02 -0.98 -4.23 119.74 120.53 2cck s LYS 86 Ca 0.00 0.98 -0.17 0.00 0.02 0.00 0.00 55.97 56.80 2cck s LYS 86 Cb 0.00 -2.10 -0.04 0.00 -0.52 0.00 0.00 37.83 35.17 2cck s LYS 86 CO 0.00 -0.48 0.45 0.08 -0.92 0.00 0.00 175.35 174.47 2cck s VAL 87 N -2.69 5.18 -0.27 3.17 1.01 -0.37 -3.23 120.40 123.21 2cck s VAL 87 Ca 0.59 0.89 -0.00 0.00 0.00 0.00 0.00 61.98 63.47 2cck s VAL 87 Cb -0.12 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.52 2cck s VAL 87 CO 0.37 0.36 -0.06 -0.69 0.00 0.00 0.00 175.10 175.08 2cck s VAL 88 N 0.42 2.65 -0.16 2.92 1.01 0.11 -1.75 120.40 125.60 2cck s VAL 88 Ca 0.25 -1.33 -0.19 0.00 0.00 0.00 0.00 61.98 60.71 2cck s VAL 88 Cb -0.15 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 2cck s VAL 88 CO 0.10 0.05 0.54 -0.76 0.00 0.00 0.00 175.10 175.02 2cck s LEU 89 N 1.23 4.21 -0.06 3.92 1.43 -0.41 -1.04 118.68 127.95 2cck s LEU 89 Ca -0.04 0.80 0.04 0.00 -1.03 0.00 0.00 54.13 53.89 2cck s LEU 89 Cb -0.18 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.27 2cck s LEU 89 CO -0.04 -0.13 -0.18 0.00 0.23 0.00 0.00 176.35 176.24 2cck s ASP 91 N 0.30 6.28 0.00 0.00 -1.08 -1.04 -0.08 116.67 121.05 2cck s ASP 91 Ca -0.11 -0.66 0.00 0.00 -0.52 0.00 0.00 52.55 51.26 2cck s ASP 91 Cb -0.15 -2.36 0.00 0.00 -1.46 0.00 0.00 42.92 38.96 2cck s ASP 91 CO 0.04 -1.05 0.00 0.54 0.52 0.00 0.00 175.17 175.23 2cck n ARG 92 N 6.77 0.00 0.00 4.34 1.74 -0.76 -4.24 116.66 124.51 2cck n ARG 92 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2cck n ARG 92 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 2cck n ARG 92 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 2cck n TYR 93 N -0.66 0.00 -0.32 -1.55 9.36 -1.26 -4.83 117.16 117.90 2cck n TYR 93 Ca 0.00 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.29 2cck n TYR 93 Cb 0.00 0.00 0.23 0.00 -0.63 0.00 0.00 39.34 38.94 2cck n TYR 93 CO 0.00 0.00 0.00 -0.84 0.22 0.00 0.00 176.86 176.24 2cck h ILE 94 N 0.00 0.82 -0.79 2.97 3.07 -1.98 -2.33 117.51 119.27 2cck h ILE 94 Ca 0.00 -0.27 0.09 0.00 1.55 0.00 0.00 64.86 66.23 2cck h ILE 94 Cb 0.00 -0.02 -0.05 0.00 -0.27 0.00 0.00 36.82 36.47 2cck h ILE 94 CO 0.00 0.14 0.52 0.44 -1.05 0.00 0.00 178.15 178.20 2cck h ASP 95 N 0.78 0.68 -0.23 2.16 3.45 -1.99 -0.70 116.42 120.56 2cck h ASP 95 Ca 0.47 0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.93 2cck h ASP 95 Cb 0.57 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.20 2cck h ASP 95 CO -0.31 0.41 0.08 -1.28 -1.57 0.00 0.00 179.24 176.58 2cck h SER 96 N 0.76 0.33 -0.85 6.45 0.87 -1.81 -1.69 113.55 117.61 2cck h SER 96 Ca 0.36 -0.19 0.02 0.00 -1.23 0.00 0.00 61.79 60.76 2cck h SER 96 Cb 0.39 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.22 2cck h SER 96 CO -0.14 0.43 0.55 0.28 -0.53 0.00 0.00 176.83 177.43 2cck h SER 97 N 0.22 0.94 -0.30 6.23 0.02 -1.25 0.07 113.55 119.48 2cck h SER 97 Ca 0.08 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2cck h SER 97 Cb 0.21 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2cck h SER 97 CO -0.00 0.66 0.16 0.25 -1.14 0.00 0.00 176.83 176.76 2cck h LEU 98 N 1.10 0.37 -0.38 5.07 5.85 -0.88 0.21 115.31 126.65 2cck h LEU 98 Ca 0.33 -0.08 -0.17 0.00 0.84 0.00 0.00 57.88 58.79 2cck h LEU 98 Cb -0.06 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 2cck h LEU 98 CO -0.09 0.35 -0.47 0.00 -0.34 0.00 0.00 178.44 177.88 2cck h ALA 99 N 1.04 0.56 0.00 1.25 0.00 -0.98 -0.10 119.26 121.02 2cck h ALA 99 Ca 0.10 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2cck h ALA 99 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2cck h ALA 99 CO -0.02 0.68 -0.02 1.88 0.00 0.00 0.00 179.25 181.77 2cck h TYR 100 N 0.68 0.00 0.11 0.00 -1.99 -0.90 0.49 116.97 115.36 2cck h TYR 100 Ca 0.04 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 2cck h TYR 100 Cb 1.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.79 2cck h TYR 100 CO 0.06 0.00 -0.05 1.96 -0.00 0.00 0.00 178.16 180.13 2cck h GLN 101 N -0.87 -0.15 0.43 4.88 7.50 -0.77 0.70 115.11 126.84 2cck h GLN 101 Ca 0.00 0.01 -0.02 0.00 0.50 0.00 0.00 58.65 59.14 2cck h GLN 101 Cb 0.02 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.57 2cck h GLN 101 CO 0.00 0.34 -0.33 0.78 -1.50 0.00 0.00 178.83 178.12 2cck h GLY 102 N -0.80 -1.04 0.00 3.46 0.00 -0.84 -1.73 103.07 102.12 2cck h GLY 102 Ca -0.02 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.77 2cck h GLY 102 CO 0.03 -0.34 0.00 -1.72 0.00 0.00 0.00 176.54 174.51 2cck n TYR 103 N -4.42 0.00 -0.25 5.60 4.02 -0.13 -1.96 117.16 120.01 2cck n TYR 103 Ca -0.09 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.75 2cck n TYR 103 Cb 0.32 -0.22 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 2cck n TYR 103 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2cck h ALA 104 N -2.00 -0.06 0.00 -0.72 0.00 -0.84 0.23 119.26 115.87 2cck h ALA 104 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2cck h ALA 104 Cb 0.00 0.89 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2cck h ALA 104 CO 0.00 -0.70 0.00 0.54 0.00 0.00 0.00 179.25 179.09 2cck n ARG 105 N -5.43 0.11 -3.18 0.00 1.74 0.24 -4.95 116.66 105.19 2cck n ARG 105 Ca 0.05 0.14 -0.15 0.00 -0.77 0.00 0.00 57.85 57.12 2cck n ARG 105 Cb 0.36 -1.64 0.06 0.00 -1.02 0.00 0.00 32.46 30.22 2cck n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cck n GLY 106 N 1.13 -0.08 0.10 -0.13 0.00 0.81 -4.93 105.19 102.08 2cck n GLY 106 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2cck n GLY 106 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2cck h ILE 107 N -1.72 0.49 0.00 -0.61 2.04 -0.97 -3.49 117.51 113.25 2cck h ILE 107 Ca -0.39 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 63.50 2cck h ILE 107 Cb 1.25 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 2cck h ILE 107 CO 0.37 0.28 0.00 0.61 0.00 0.00 0.00 178.15 179.41 2cck n GLY 108 N 1.38 2.31 0.27 5.37 0.00 -0.83 -4.81 105.19 108.89 2cck n GLY 108 Ca -0.09 -0.87 0.04 0.00 0.00 0.00 0.00 46.02 45.10 2cck n GLY 108 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2cck h VAL 109 N 0.00 0.40 -0.46 1.61 3.04 -1.88 -0.20 116.25 118.76 2cck h VAL 109 Ca 0.00 -0.05 -0.02 0.00 -1.01 0.00 0.00 66.70 65.63 2cck h VAL 109 Cb 0.00 0.26 -0.02 0.00 -2.01 0.00 0.00 31.29 29.52 2cck h VAL 109 CO 0.00 0.02 0.23 -0.33 -1.01 0.00 0.00 177.57 176.48 2cck h GLU 110 N 0.13 0.66 -0.20 4.17 4.39 -1.94 0.79 114.58 122.58 2cck h GLU 110 Ca 0.39 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.99 2cck h GLU 110 Cb 0.68 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2cck h GLU 110 CO -0.61 0.56 0.09 0.93 -1.16 0.00 0.00 179.01 178.82 2cck h GLU 111 N 0.60 0.29 -0.07 2.33 5.08 -1.61 -1.25 114.58 119.96 2cck h GLU 111 Ca 0.16 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 2cck h GLU 111 Cb 0.11 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2cck h GLU 111 CO -0.02 0.33 -0.21 0.28 -1.00 0.00 0.00 179.01 178.39 2cck h VAL 112 N 0.19 1.19 -0.03 3.13 2.07 -0.93 -1.32 116.25 120.55 2cck h VAL 112 Ca 0.07 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 2cck h VAL 112 Cb 0.14 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2cck h VAL 112 CO -0.01 0.26 0.00 -0.09 0.02 0.00 0.00 177.57 177.75 2cck h ARG 113 N 0.11 0.05 -0.82 1.57 2.43 -0.51 -1.71 114.38 115.49 2cck h ARG 113 Ca 0.02 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 2cck h ARG 113 Cb 0.44 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 2cck h ARG 113 CO 0.03 0.34 0.54 0.00 -1.51 0.00 0.00 179.97 179.37 2cck h ALA 114 N 0.71 1.50 -0.00 2.80 0.00 -0.87 -0.20 119.26 123.19 2cck h ALA 114 Ca 0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2cck h ALA 114 Cb 0.32 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2cck h ALA 114 CO 0.00 0.42 0.00 1.25 0.00 0.00 0.00 179.25 180.92 2cck h LEU 115 N 1.01 0.00 -1.21 0.00 5.85 -1.06 -2.05 115.31 117.84 2cck h LEU 115 Ca 0.33 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 2cck h LEU 115 Cb 0.04 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2cck h LEU 115 CO -0.10 0.10 -0.23 0.78 -0.34 0.00 0.00 178.44 178.66 2cck h ASN 116 N -0.10 0.25 -0.45 1.25 2.35 -0.66 -1.54 115.58 116.68 2cck h ASN 116 Ca 0.00 -0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.57 2cck h ASN 116 Cb 0.10 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 2cck h ASN 116 CO -0.00 0.49 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.82 2cck h GLU 117 N 0.23 0.93 -0.64 0.81 5.08 -0.92 0.43 114.58 120.50 2cck h GLU 117 Ca 0.04 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2cck h GLU 117 Cb 0.54 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2cck h GLU 117 CO 0.04 1.00 0.38 0.35 -1.00 0.00 0.00 179.01 179.77 2cck h PHE 118 N 0.83 0.85 -0.54 4.33 3.57 -0.86 0.15 116.94 125.27 2cck h PHE 118 Ca 0.13 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 2cck h PHE 118 Cb 0.66 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2cck h PHE 118 CO 0.04 0.58 -0.13 0.00 -2.23 0.00 0.00 178.31 176.57 2cck h ALA 119 N 1.19 0.74 0.00 2.41 0.00 -0.45 -3.27 119.26 119.88 2cck h ALA 119 Ca 0.23 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2cck h ALA 119 Cb -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2cck h ALA 119 CO -0.04 0.67 -0.95 0.44 0.00 0.00 0.00 179.25 179.37 2cck n ILE 120 N -4.14 0.08 -4.08 0.00 -5.35 0.14 -4.52 119.36 101.48 2cck n ILE 120 Ca 0.01 -0.13 -0.45 0.00 -0.27 0.00 0.00 62.75 61.91 2cck n ILE 120 Cb 0.41 0.43 0.01 0.00 -1.74 0.00 0.00 39.64 38.75 2cck n ILE 120 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2cck n ASN 121 N -1.75 -3.74 0.00 7.28 5.15 0.52 -1.02 115.26 121.71 2cck n ASN 121 Ca 0.03 -1.29 0.00 0.00 -0.60 0.00 0.00 54.58 52.72 2cck n ASN 121 Cb 0.39 -1.75 0.00 0.00 -0.53 0.00 0.00 39.78 37.89 2cck n ASN 121 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2cck n GLY 122 N -2.12 2.14 3.53 8.20 0.00 -1.26 -4.97 105.19 110.70 2cck n GLY 122 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2cck n GLY 122 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cck s LEU 123 N 0.00 4.03 0.20 0.99 2.96 -0.19 -4.98 118.68 121.70 2cck s LEU 123 Ca 0.00 -1.80 0.01 0.00 -0.22 0.00 0.00 54.13 52.12 2cck s LEU 123 Cb 0.00 -2.52 -0.04 0.00 0.50 0.00 0.00 46.19 44.13 2cck s LEU 123 CO 0.00 -1.31 0.37 -0.31 -1.32 0.00 0.00 176.35 173.78 2cck s TYR 124 N 4.11 3.48 0.62 5.38 1.51 -1.26 -4.92 117.35 126.27 2cck s TYR 124 Ca 0.43 0.23 -0.18 0.00 -1.01 0.00 0.00 57.07 56.55 2cck s TYR 124 Cb -0.01 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 40.05 2cck s TYR 124 CO -0.07 0.41 1.19 -2.14 -1.11 0.00 0.00 175.55 173.82 2cck s PRO 125 N -3.45 2.82 0.09 -1.71 0.02 -1.26 -4.94 135.00 126.56 2cck s PRO 125 Ca 0.37 1.74 -0.05 0.00 0.02 0.00 0.00 61.00 63.08 2cck s PRO 125 Cb -0.11 -1.92 -0.24 0.00 0.02 0.00 0.00 34.50 32.26 2cck s PRO 125 CO 0.29 -1.31 1.18 -0.44 -0.33 0.00 0.00 177.00 176.39 2cck h ASP 126 N 0.57 0.48 -3.70 2.53 3.32 -0.84 -3.46 116.42 115.32 2cck h ASP 126 Ca -0.49 -0.48 -0.21 0.00 0.02 0.00 0.00 57.03 55.87 2cck h ASP 126 Cb 1.29 -0.15 -0.28 0.00 0.22 0.00 0.00 39.33 40.41 2cck h ASP 126 CO 0.54 1.34 -0.58 -0.22 -1.72 0.00 0.00 179.24 178.61 2cck s LEU 127 N -7.34 1.34 -0.10 1.55 2.96 -1.14 -4.77 118.68 111.18 2cck s LEU 127 Ca -0.05 0.27 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 2cck s LEU 127 Cb 0.07 0.42 0.02 0.00 0.50 0.00 0.00 46.19 47.20 2cck s LEU 127 CO 0.88 -0.07 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.83 2cck s THR 128 N 0.30 1.32 -0.31 3.68 2.01 0.98 -1.93 115.64 121.69 2cck s THR 128 Ca -0.02 -0.53 -0.17 0.00 0.31 0.00 0.00 61.69 61.28 2cck s THR 128 Cb -0.03 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 2cck s THR 128 CO -0.01 0.41 0.47 -0.63 -0.69 0.00 0.00 174.62 174.16 2cck s ILE 129 N 1.05 5.08 -0.30 1.82 -1.09 -0.21 -1.06 121.20 126.49 2cck s ILE 129 Ca -0.06 0.51 -0.10 0.00 -2.23 0.00 0.00 60.65 58.77 2cck s ILE 129 Cb -0.15 -3.86 -0.01 0.00 -1.58 0.00 0.00 42.46 36.86 2cck s ILE 129 CO -0.02 -0.04 0.16 -0.47 -1.23 0.00 0.00 174.94 173.33 2cck s TYR 130 N 2.27 3.18 -0.93 3.97 5.04 -0.65 -0.17 117.35 130.05 2cck s TYR 130 Ca 0.18 -0.46 -0.21 0.00 -2.44 0.00 0.00 57.07 54.14 2cck s TYR 130 Cb -0.16 -2.36 0.09 0.00 0.35 0.00 0.00 41.96 39.89 2cck s TYR 130 CO 0.11 -0.41 1.24 -0.51 -1.34 0.00 0.00 175.55 174.64 2cck s LEU 131 N 1.64 4.33 -0.66 6.97 1.43 -0.45 -0.43 118.68 131.51 2cck s LEU 131 Ca 0.05 -1.67 -0.27 0.00 -1.03 0.00 0.00 54.13 51.22 2cck s LEU 131 Cb -0.17 -2.47 -0.00 0.00 0.03 0.00 0.00 46.19 43.58 2cck s LEU 131 CO 0.07 -1.30 1.63 0.21 0.23 0.00 0.00 176.35 177.19 2cck s ASN 132 N 4.15 5.63 0.04 2.29 3.04 0.06 -4.46 114.94 125.70 2cck s ASN 132 Ca 0.37 0.04 0.08 0.00 0.04 0.00 0.00 52.86 53.40 2cck s ASN 132 Cb -0.04 -2.54 -0.03 0.00 -1.54 0.00 0.00 41.25 37.10 2cck s ASN 132 CO -0.07 -2.15 -0.23 0.54 -3.04 0.00 0.00 177.10 172.14 2cck s VAL 133 N 7.72 2.37 0.59 -5.21 0.11 -1.26 0.39 120.40 125.11 2cck s VAL 133 Ca 0.55 -1.30 -0.15 0.00 -2.93 0.00 0.00 61.98 58.14 2cck s VAL 133 Cb -0.11 -1.94 -0.04 0.00 -1.53 0.00 0.00 36.38 32.75 2cck s VAL 133 CO 0.19 0.37 1.04 -0.94 -3.33 0.00 0.00 175.10 172.43 2cck s SER 134 N -1.27 5.95 0.39 3.54 1.04 -1.26 -4.85 113.70 117.23 2cck s SER 134 Ca 0.13 1.73 0.07 0.00 0.48 0.00 0.00 55.95 58.36 2cck s SER 134 Cb -0.10 -2.52 0.81 0.00 0.10 0.00 0.00 66.02 64.31 2cck s SER 134 CO 0.03 -1.05 2.00 0.00 0.98 0.00 0.00 173.24 175.20 2cck h ALA 135 N 0.42 1.73 -0.15 5.32 0.00 -1.98 0.78 119.26 125.38 2cck h ALA 135 Ca -0.46 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 2cck h ALA 135 Cb 1.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2cck h ALA 135 CO 0.58 0.19 -0.50 0.93 0.00 0.00 0.00 179.25 180.46 2cck h GLU 136 N 0.65 0.60 -0.29 0.00 3.07 -1.99 -1.73 114.58 114.89 2cck h GLU 136 Ca 0.24 -0.45 -0.18 0.00 -0.50 0.00 0.00 59.36 58.48 2cck h GLU 136 Cb 0.15 0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 2cck h GLU 136 CO -0.07 1.07 -0.51 0.28 -1.40 0.00 0.00 179.01 178.38 2cck h VAL 137 N 0.25 1.28 -0.34 3.13 2.07 -1.87 -2.49 116.25 118.28 2cck h VAL 137 Ca -0.02 -1.70 -0.01 0.00 0.82 0.00 0.00 66.70 65.79 2cck h VAL 137 Cb 1.12 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 2cck h VAL 137 CO 0.11 0.55 0.19 1.23 0.02 0.00 0.00 177.57 179.67 2cck h GLY 138 N 0.78 0.51 0.43 2.17 0.00 -0.88 -0.90 103.07 105.18 2cck h GLY 138 Ca 0.02 -0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.17 2cck h GLY 138 CO 0.11 0.22 -0.09 -0.09 0.00 0.00 0.00 176.54 176.70 2cck h ARG 139 N 0.43 -0.04 -0.88 4.80 2.43 -1.27 -1.47 114.38 118.38 2cck h ARG 139 Ca 0.12 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2cck h ARG 139 Cb 0.06 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 2cck h ARG 139 CO -0.02 -0.02 0.57 0.93 -1.51 0.00 0.00 179.97 179.92 2cck h GLU 140 N -0.04 1.17 -0.17 0.20 4.39 -1.08 -0.57 114.58 118.49 2cck h GLU 140 Ca 0.13 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2cck h GLU 140 Cb 0.23 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2cck h GLU 140 CO -0.29 0.79 0.08 0.00 -1.16 0.00 0.00 179.01 178.44 2cck h ARG 141 N 1.20 0.25 -0.11 2.33 3.08 -0.70 0.75 114.38 121.18 2cck h ARG 141 Ca 0.32 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.38 2cck h ARG 141 Cb -0.12 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 29.84 2cck h ARG 141 CO -0.07 0.28 -0.22 0.82 -1.07 0.00 0.00 179.97 179.71 2cck h ILE 142 N 0.15 0.45 -0.60 2.04 2.04 -0.94 0.34 117.51 121.00 2cck h ILE 142 Ca 0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.94 2cck h ILE 142 Cb 0.12 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2cck h ILE 142 CO -0.01 0.00 0.38 0.40 0.00 0.00 0.00 178.15 178.92 2cck h ILE 143 N -0.30 1.11 -0.08 -0.67 2.04 -0.87 -0.08 117.51 118.66 2cck h ILE 143 Ca 0.09 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.72 2cck h ILE 143 Cb 0.43 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2cck h ILE 143 CO -0.28 0.14 0.09 0.50 0.00 0.00 0.00 178.15 178.60 2cck h LYS 144 N 0.76 0.00 -0.05 2.37 3.64 0.19 -3.50 116.57 119.99 2cck h LYS 144 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2cck h LYS 144 Cb -0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2cck h LYS 144 CO -0.08 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.19 2cck n ASN 145 N -3.91 2.29 -4.68 4.20 3.02 0.11 -5.05 115.26 111.23 2cck n ASN 145 Ca -0.01 -2.37 -0.39 0.00 -0.03 0.00 0.00 54.58 51.78 2cck n ASN 145 Cb 0.19 -0.18 0.04 0.00 -0.61 0.00 0.00 39.78 39.22 2cck n ASN 145 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2cck n ARG 151 N -0.67 1.44 -3.95 3.52 1.74 -1.26 -5.00 116.66 112.48 2cck n ARG 151 Ca 0.07 0.53 -0.30 0.00 -0.77 0.00 0.00 57.85 57.38 2cck n ARG 151 Cb 0.41 -2.35 -0.04 0.00 -1.02 0.00 0.00 32.46 29.46 2cck n ARG 151 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2cck s LEU 152 N -2.34 4.27 0.83 0.55 1.43 -1.26 -5.10 118.68 117.06 2cck s LEU 152 Ca 0.70 0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.89 2cck s LEU 152 Cb -0.45 -2.88 0.09 0.00 0.03 0.00 0.00 46.19 42.98 2cck s LEU 152 CO 0.51 0.14 1.09 -0.62 0.23 0.00 0.00 176.35 177.70 2cck s ASP 153 N -2.68 4.02 0.09 2.29 2.15 -1.26 -4.89 116.67 116.39 2cck s ASP 153 Ca 0.34 1.74 -0.15 0.00 0.43 0.00 0.00 52.55 54.92 2cck s ASP 153 Cb -0.12 -2.41 -0.11 0.00 -0.30 0.00 0.00 42.92 39.97 2cck s ASP 153 CO 0.27 -2.33 1.36 -0.61 -0.17 0.00 0.00 175.17 173.70 2cck h GLN 154 N -1.33 0.70 -0.18 4.34 4.15 -1.99 -2.22 115.11 118.58 2cck h GLN 154 Ca -0.46 -0.44 0.00 0.00 0.77 0.00 0.00 58.65 58.52 2cck h GLN 154 Cb 1.25 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.98 2cck h GLN 154 CO 0.52 1.06 0.12 0.93 -1.93 0.00 0.00 178.83 179.53 2cck h GLU 155 N 0.42 0.24 -0.05 1.69 5.08 -1.99 -1.12 114.58 118.86 2cck h GLU 155 Ca 0.01 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2cck h GLU 155 Cb 1.02 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 2cck h GLU 155 CO 0.10 0.18 -0.25 -0.44 -1.00 0.00 0.00 179.01 177.60 2cck h ASP 156 N 0.23 -0.75 -0.80 1.42 3.32 -1.95 0.17 116.42 118.07 2cck h ASP 156 Ca 0.07 0.11 0.10 0.00 0.02 0.00 0.00 57.03 57.33 2cck h ASP 156 Cb -0.01 0.32 -0.08 0.00 0.22 0.00 0.00 39.33 39.78 2cck h ASP 156 CO -0.01 -0.31 0.43 -0.07 -1.72 0.00 0.00 179.24 177.56 2cck h LEU 157 N -0.36 0.59 -0.74 1.55 3.38 -1.15 0.27 115.31 118.85 2cck h LEU 157 Ca 0.08 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 2cck h LEU 157 Cb 0.47 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2cck h LEU 157 CO -0.25 0.32 -0.55 0.11 0.09 0.00 0.00 178.44 178.16 2cck h LYS 158 N 0.71 0.23 -0.27 1.13 1.57 -0.51 -1.23 116.57 118.19 2cck h LYS 158 Ca 0.40 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.93 2cck h LYS 158 Cb 0.42 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2cck h LYS 158 CO -0.28 0.72 -0.22 0.35 -0.57 0.00 0.00 179.45 179.46 2cck h PHE 159 N 0.18 0.75 -0.39 -1.35 3.04 0.58 -0.85 116.94 118.90 2cck h PHE 159 Ca 0.00 -0.21 0.07 0.00 3.98 0.00 0.00 57.97 61.81 2cck h PHE 159 Cb 1.03 -0.16 -0.07 0.00 2.56 0.00 0.00 35.95 39.31 2cck h PHE 159 CO 0.02 0.92 -0.02 1.25 -2.02 0.00 0.00 178.31 178.46 2cck h HIS 160 N 0.36 -0.06 -0.38 0.41 2.76 -0.36 -0.08 115.15 117.80 2cck h HIS 160 Ca 0.05 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.30 2cck h HIS 160 Cb 0.77 0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.77 2cck h HIS 160 CO 0.07 -0.10 0.12 0.93 -1.30 0.00 0.00 177.93 177.66 2cck h GLU 161 N 0.08 0.26 -0.89 5.26 5.08 -0.94 -1.60 114.58 121.84 2cck h GLU 161 Ca 0.19 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 2cck h GLU 161 Cb 0.28 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 2cck h GLU 161 CO -0.34 0.18 0.59 0.87 -1.00 0.00 0.00 179.01 179.30 2cck h LYS 162 N 0.27 1.14 0.05 2.33 1.57 -0.25 -0.04 116.57 121.64 2cck h LYS 162 Ca 0.18 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2cck h LYS 162 Cb 0.17 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 2cck h LYS 162 CO -0.19 0.75 -0.04 0.28 -0.57 0.00 0.00 179.45 179.68 2cck h VAL 163 N 1.17 0.90 -0.84 0.50 2.07 -0.14 0.12 116.25 120.03 2cck h VAL 163 Ca 0.34 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.85 2cck h VAL 163 Cb -0.08 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2cck h VAL 163 CO -0.08 0.00 0.51 0.40 0.02 0.00 0.00 177.57 178.42 2cck h ILE 164 N -0.10 1.23 -0.18 4.57 2.04 -0.76 -0.88 117.51 123.43 2cck h ILE 164 Ca 0.00 -0.51 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 2cck h ILE 164 Cb 0.10 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 2cck h ILE 164 CO -0.01 0.24 -0.19 -0.33 0.00 0.00 0.00 178.15 177.87 2cck h GLU 165 N 1.16 0.31 -0.19 2.37 5.08 -0.70 -0.67 114.58 121.94 2cck h GLU 165 Ca 0.30 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.50 2cck h GLU 165 Cb -0.05 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 2cck h GLU 165 CO -0.06 0.50 -0.17 0.78 -1.00 0.00 0.00 179.01 179.06 2cck h GLY 166 N 0.90 0.50 1.01 -3.84 0.00 0.12 -2.62 103.07 99.14 2cck h GLY 166 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2cck h GLY 166 CO 0.03 0.45 0.57 -0.97 0.00 0.00 0.00 176.54 176.62 2cck h TYR 167 N 0.13 1.15 -0.50 5.60 0.05 -0.83 -1.50 116.97 121.06 2cck h TYR 167 Ca 0.03 0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.90 2cck h TYR 167 Cb 0.71 -0.38 -0.06 0.00 1.01 0.00 0.00 36.73 38.00 2cck h TYR 167 CO 0.08 0.74 0.15 0.37 -1.05 0.00 0.00 178.16 178.45 2cck h GLN 168 N 1.22 0.30 0.00 4.88 5.75 -1.02 -1.20 115.11 125.03 2cck h GLN 168 Ca 0.32 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.70 2cck h GLN 168 Cb -0.10 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.37 2cck h GLN 168 CO -0.07 0.20 -0.49 1.49 -2.65 0.00 0.00 178.83 177.31 2cck h GLU 169 N 0.30 0.00 -0.03 1.69 4.81 -1.03 -2.93 114.58 117.39 2cck h GLU 169 Ca 0.25 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.35 2cck h GLU 169 Cb 0.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2cck h GLU 169 CO -0.28 0.49 -0.55 0.82 -0.73 0.00 0.00 179.01 178.76 2cck h ILE 170 N 0.00 1.38 -3.12 2.32 2.04 -0.37 -3.52 117.51 116.24 2cck h ILE 170 Ca -0.00 -1.88 -0.60 0.00 1.00 0.00 0.00 64.86 63.38 2cck h ILE 170 Cb 0.96 1.98 -0.07 0.00 -0.74 0.00 0.00 36.82 38.95 2cck h ILE 170 CO 0.06 0.54 -0.22 -0.63 0.00 0.00 0.00 178.15 177.91 2cck s ILE 171 N -3.81 5.13 0.00 -0.67 1.01 -0.54 -5.10 121.20 117.22 2cck s ILE 171 Ca -0.03 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.42 2cck s ILE 171 Cb 0.13 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.89 2cck s ILE 171 CO 0.77 0.49 0.00 -2.11 0.00 0.00 0.00 174.94 174.09 2cck n ARG 177 N 2.56 0.00 -2.90 2.79 1.85 -1.26 -5.10 116.66 114.60 2cck n ARG 177 Ca -0.12 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.33 2cck n ARG 177 Cb 0.52 -0.04 -0.06 0.00 -1.05 0.00 0.00 32.46 31.83 2cck n ARG 177 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2cck s PHE 178 N 0.00 3.92 -0.20 2.89 0.40 -1.26 -0.02 117.98 123.71 2cck s PHE 178 Ca 0.00 1.72 -0.03 0.00 -0.60 0.00 0.00 56.93 58.02 2cck s PHE 178 Cb 0.00 -2.84 0.07 0.00 0.51 0.00 0.00 43.02 40.75 2cck s PHE 178 CO 0.00 0.48 0.05 0.15 0.70 0.00 0.00 175.22 176.60 2cck s LYS 179 N -1.07 0.54 0.40 0.44 -0.14 -0.22 -4.92 119.74 114.76 2cck s LYS 179 Ca 0.38 -0.43 -0.20 0.00 -1.36 0.00 0.00 55.97 54.36 2cck s LYS 179 Cb -0.24 -2.01 -0.10 0.00 -1.68 0.00 0.00 37.83 33.80 2cck s LYS 179 CO 0.28 -0.69 0.90 0.45 -0.76 0.00 0.00 175.35 175.52 2cck s SER 180 N 1.90 6.93 -0.04 2.83 0.15 -1.26 -1.64 113.70 122.56 2cck s SER 180 Ca 0.01 1.60 0.01 0.00 0.70 0.00 0.00 55.95 58.27 2cck s SER 180 Cb -0.17 -2.50 0.02 0.00 -1.71 0.00 0.00 66.02 61.66 2cck s SER 180 CO -0.11 -0.30 -0.05 -0.69 1.20 0.00 0.00 173.24 173.29 2cck s VAL 181 N -2.09 0.57 -0.63 4.45 1.01 0.43 -4.88 120.40 119.25 2cck s VAL 181 Ca 0.59 -0.15 -0.26 0.00 0.00 0.00 0.00 61.98 62.16 2cck s VAL 181 Cb -0.10 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 2cck s VAL 181 CO 0.15 0.23 2.12 0.21 0.00 0.00 0.00 175.10 177.80 2cck s ASN 182 N 0.87 4.82 0.00 3.32 2.47 -1.26 -0.76 114.94 124.40 2cck s ASN 182 Ca -0.12 0.41 0.14 0.00 0.42 0.00 0.00 52.86 53.71 2cck s ASN 182 Cb -0.14 -2.53 0.72 0.00 -1.45 0.00 0.00 41.25 37.85 2cck s ASN 182 CO 0.01 -2.77 1.48 0.00 -3.72 0.00 0.00 177.10 172.10 2cck n ALA 183 N 14.65 2.56 0.50 1.71 0.00 0.16 -3.33 120.51 136.76 2cck n ALA 183 Ca 0.31 -0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.69 2cck n ALA 183 Cb 0.51 -1.17 0.27 0.00 0.00 0.00 0.00 19.45 19.07 2cck n ALA 183 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2cck h ASP 184 N 0.49 0.00 -3.67 0.00 3.32 -1.88 -3.44 116.42 111.24 2cck h ASP 184 Ca 0.00 -0.06 -0.43 0.00 0.02 0.00 0.00 57.03 56.56 2cck h ASP 184 Cb 0.11 0.00 0.18 0.00 0.22 0.00 0.00 39.33 39.84 2cck h ASP 184 CO 0.00 0.03 0.15 -1.10 -1.72 0.00 0.00 179.24 176.60 2cck s GLN 185 N -3.16 -0.45 0.43 3.56 -0.21 -1.21 -4.96 119.66 113.66 2cck s GLN 185 Ca 0.08 0.23 -0.25 0.00 0.02 0.00 0.00 55.36 55.45 2cck s GLN 185 Cb 0.11 -1.66 -0.08 0.00 1.00 0.00 0.00 33.01 32.38 2cck s GLN 185 CO 0.66 -3.26 1.26 -2.14 -2.12 0.00 0.00 175.29 169.68 2cck s PRO 186 N -5.16 3.87 0.30 2.91 0.02 -1.26 -4.77 135.00 130.92 2cck s PRO 186 Ca 0.68 2.03 0.04 0.00 0.02 0.00 0.00 61.00 63.78 2cck s PRO 186 Cb -0.15 -2.64 0.79 0.00 0.02 0.00 0.00 34.50 32.52 2cck s PRO 186 CO 0.57 -0.53 1.64 -0.07 -0.33 0.00 0.00 177.00 178.28 2cck h LEU 187 N 2.46 0.03 -0.74 -5.54 3.38 -1.92 0.24 115.31 113.22 2cck h LEU 187 Ca -0.49 0.21 0.16 0.00 0.09 0.00 0.00 57.88 57.85 2cck h LEU 187 Cb 1.25 0.27 -0.11 0.00 0.09 0.00 0.00 40.66 42.16 2cck h LEU 187 CO 0.62 -0.19 0.14 -0.08 0.09 0.00 0.00 178.44 179.02 2cck h GLU 188 N 0.19 0.22 -0.05 1.13 4.81 -2.00 0.95 114.58 119.83 2cck h GLU 188 Ca 0.59 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.68 2cck h GLU 188 Cb 1.25 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2cck h GLU 188 CO -0.68 0.15 -0.57 -0.91 -0.73 0.00 0.00 179.01 176.26 2cck h ASN 189 N 0.23 0.17 -0.42 1.04 4.21 -0.88 -2.75 115.58 117.18 2cck h ASN 189 Ca 0.42 -0.09 -0.10 0.00 1.21 0.00 0.00 56.30 57.73 2cck h ASN 189 Cb 0.73 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.86 2cck h ASN 189 CO -0.54 0.70 -0.11 0.58 -1.29 0.00 0.00 177.43 176.77 2cck h VAL 190 N 0.11 1.26 -0.14 2.81 2.07 -0.33 -1.93 116.25 120.12 2cck h VAL 190 Ca -0.00 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 2cck h VAL 190 Cb 1.04 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2cck h VAL 190 CO 0.08 0.42 -0.01 0.58 0.02 0.00 0.00 177.57 178.67 2cck h VAL 191 N 0.79 1.26 0.28 2.57 2.07 -1.01 -1.61 116.25 120.61 2cck h VAL 191 Ca 0.13 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2cck h VAL 191 Cb 0.63 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2cck h VAL 191 CO 0.04 0.25 -0.32 -0.08 0.02 0.00 0.00 177.57 177.49 2cck h GLU 192 N -0.03 -0.62 -0.36 1.57 4.57 -1.39 0.36 114.58 118.68 2cck h GLU 192 Ca 0.04 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.32 2cck h GLU 192 Cb 0.39 0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 29.06 2cck h GLU 192 CO 0.01 -0.41 -0.01 -0.44 -1.18 0.00 0.00 179.01 176.98 2cck h ASP 193 N -0.65 -0.16 -0.58 1.04 5.19 -1.39 0.28 116.42 120.15 2cck h ASP 193 Ca -0.01 0.08 0.03 0.00 -0.62 0.00 0.00 57.03 56.52 2cck h ASP 193 Cb 0.60 0.15 -0.04 0.00 0.18 0.00 0.00 39.33 40.22 2cck h ASP 193 CO -0.08 -0.04 0.34 0.74 -3.12 0.00 0.00 179.24 177.07 2cck h THR 194 N 0.09 1.04 -0.09 0.35 2.02 -0.90 0.31 112.91 115.72 2cck h THR 194 Ca 0.17 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 2cck h THR 194 Cb 0.24 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2cck h THR 194 CO -0.30 0.12 0.03 0.22 0.37 0.00 0.00 175.52 175.96 2cck h TYR 195 N 0.66 0.15 -0.18 3.16 5.03 0.64 -1.37 116.97 125.05 2cck h TYR 195 Ca 0.24 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.52 2cck h TYR 195 Cb 0.06 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.29 2cck h TYR 195 CO -0.07 0.29 0.03 1.96 -1.32 0.00 0.00 178.16 179.05 2cck h GLN 196 N -0.04 0.25 -0.33 1.82 1.08 -0.16 -0.46 115.11 117.28 2cck h GLN 196 Ca 0.03 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 2cck h GLN 196 Cb 0.21 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 2cck h GLN 196 CO -0.00 0.25 0.01 1.15 -0.95 0.00 0.00 178.83 179.30 2cck h THR 197 N 0.26 1.25 -0.10 -0.54 2.02 0.10 -2.19 112.91 113.71 2cck h THR 197 Ca 0.06 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.28 2cck h THR 197 Cb 0.13 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2cck h THR 197 CO -0.00 0.30 -0.06 0.40 0.37 0.00 0.00 175.52 176.53 2cck h ILE 198 N 0.38 1.34 -0.69 3.11 2.04 -0.72 -2.94 117.51 120.02 2cck h ILE 198 Ca 0.09 -1.13 0.13 0.00 1.00 0.00 0.00 64.86 64.95 2cck h ILE 198 Cb 0.42 1.89 -0.09 0.00 -0.74 0.00 0.00 36.82 38.30 2cck h ILE 198 CO 0.01 0.32 0.23 0.40 0.00 0.00 0.00 178.15 179.11 2cck h ILE 199 N -0.17 0.65 -0.24 -0.67 1.08 -1.12 0.12 117.51 117.16 2cck h ILE 199 Ca 0.02 -0.13 0.05 0.00 -0.39 0.00 0.00 64.86 64.41 2cck h ILE 199 Cb 0.54 0.25 -0.05 0.00 -3.07 0.00 0.00 36.82 34.48 2cck h ILE 199 CO 0.02 0.07 -0.09 0.50 -0.69 0.00 0.00 178.15 177.95 2cck h LYS 200 N 0.37 -0.05 -0.72 2.37 3.64 -1.37 -1.66 116.57 119.15 2cck h LYS 200 Ca 0.38 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 2cck h LYS 200 Cb 0.56 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.36 2cck h LYS 200 CO -0.41 -0.03 0.39 -0.92 -2.27 0.00 0.00 179.45 176.21 2cck h TYR 201 N -0.05 0.99 0.00 1.91 3.20 -0.93 -2.75 116.97 119.33 2cck h TYR 201 Ca 0.12 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2cck h TYR 201 Cb 0.24 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.19 2cck h TYR 201 CO -0.27 0.70 0.00 -0.07 -1.64 0.00 0.00 178.16 176.88 2cck h LEU 202 N 0.99 0.00 -2.20 2.82 3.38 -0.60 -3.10 115.31 116.60 2cck h LEU 202 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2cck h LEU 202 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2cck h LEU 202 CO -0.04 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.87 2cck n GLU 203 N -2.89 2.09 -2.24 1.13 -0.58 -0.67 -4.99 120.64 112.50 2cck n GLU 203 Ca 0.01 -1.95 -0.28 0.00 -0.42 0.00 0.00 57.16 54.53 2cck n GLU 203 Cb 0.31 -1.39 0.04 0.00 -0.57 0.00 0.00 31.44 29.83 2cck n GLU 203 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2cck s LYS 204 N -1.28 2.86 0.00 3.49 1.02 -1.08 -5.08 119.74 119.67 2cck s LYS 204 Ca 0.29 0.12 0.00 0.00 0.02 0.00 0.00 55.97 56.39 2cck s LYS 204 Cb 0.17 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 2cck s LYS 204 CO 0.24 -0.83 0.00 -0.89 -0.92 0.00 0.00 175.35 172.95