#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2e s ILE 2 N 0.00 5.04 0.33 1.12 1.01 -1.26 -0.92 121.20 126.52 1k2e s ILE 2 Ca 0.00 1.43 0.03 0.00 0.00 0.00 0.00 60.65 62.11 1k2e s ILE 2 Cb 0.00 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 1k2e s ILE 2 CO 0.00 0.24 0.10 0.68 0.00 0.00 0.00 174.94 175.96 1k2e s VAL 3 N 0.90 0.74 0.05 2.92 -7.23 -0.41 -1.83 120.40 115.54 1k2e s VAL 3 Ca 0.37 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.49 1k2e s VAL 3 Cb -0.17 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 1k2e s VAL 3 CO 0.17 0.00 0.09 0.28 -0.31 0.00 0.00 175.10 175.34 1k2e s THR 4 N -3.44 0.15 0.04 5.32 -1.32 -0.00 -1.16 115.64 115.22 1k2e s THR 4 Ca 0.33 -1.24 -0.04 0.00 -1.21 0.00 0.00 61.69 59.53 1k2e s THR 4 Cb 0.06 -1.10 -0.02 0.00 -1.51 0.00 0.00 72.50 69.93 1k2e s THR 4 CO 0.15 -0.69 0.07 -0.44 -2.21 0.00 0.00 174.62 171.50 1k2e s SER 5 N -2.43 0.23 -0.07 8.08 0.01 -0.90 -0.81 113.70 117.81 1k2e s SER 5 Ca -0.01 -0.60 0.04 0.00 1.31 0.00 0.00 55.95 56.70 1k2e s SER 5 Cb 0.02 0.21 -0.00 0.00 0.21 0.00 0.00 66.02 66.46 1k2e s SER 5 CO -0.07 -0.50 -0.21 -0.83 0.41 0.00 0.00 173.24 172.04 1k2e s GLY 6 N -2.18 1.14 -0.35 3.44 0.00 0.09 -0.69 107.32 108.77 1k2e s GLY 6 Ca -0.04 -0.84 -0.08 0.00 0.00 0.00 0.00 44.72 43.76 1k2e s GLY 6 CO -0.05 -0.37 0.14 0.14 0.00 0.00 0.00 173.10 172.95 1k2e s VAL 7 N 0.15 3.99 -0.24 1.40 1.01 0.37 -3.97 120.40 123.11 1k2e s VAL 7 Ca -0.10 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 60.79 1k2e s VAL 7 Cb -0.15 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 32.99 1k2e s VAL 7 CO 0.05 -0.21 -0.07 -0.22 0.00 0.00 0.00 175.10 174.66 1k2e s LEU 8 N 1.44 3.11 -0.13 3.92 2.96 -1.26 -1.46 118.68 127.24 1k2e s LEU 8 Ca -0.01 -0.81 0.03 0.00 -0.22 0.00 0.00 54.13 53.12 1k2e s LEU 8 Cb -0.20 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.84 1k2e s LEU 8 CO 0.04 -0.11 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.05 1k2e s VAL 9 N 1.34 2.04 -0.02 1.68 1.01 -1.26 -1.98 120.40 123.22 1k2e s VAL 9 Ca 0.01 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1k2e s VAL 9 Cb -0.16 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.44 1k2e s VAL 9 CO -0.05 0.55 0.01 -1.61 0.00 0.00 0.00 175.10 174.00 1k2e s GLU 10 N 0.77 0.13 -1.54 2.72 2.02 -0.19 -4.88 118.70 117.73 1k2e s GLU 10 Ca -0.08 0.09 -0.11 0.00 0.02 0.00 0.00 54.97 54.88 1k2e s GLU 10 Cb -0.16 -0.31 0.08 0.00 0.10 0.00 0.00 34.13 33.85 1k2e s GLU 10 CO -0.01 -0.11 0.77 0.09 0.02 0.00 0.00 175.26 176.03 1k2e n ASN 11 N 3.89 -3.00 -0.33 -0.19 3.02 -1.26 -1.10 115.26 116.30 1k2e n ASN 11 Ca -0.24 -0.91 -0.04 0.00 -0.03 0.00 0.00 54.58 53.36 1k2e n ASN 11 Cb 0.52 -3.36 -0.02 0.00 -0.61 0.00 0.00 39.78 36.32 1k2e n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k2e n GLY 12 N -1.64 0.67 3.25 7.41 0.00 -1.26 -5.02 105.19 108.59 1k2e n GLY 12 Ca -0.06 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 1k2e n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k2e s LYS 13 N -1.77 1.02 -0.00 1.61 1.02 -0.26 -1.48 119.74 119.89 1k2e s LYS 13 Ca 0.00 -1.15 0.08 0.00 0.02 0.00 0.00 55.97 54.92 1k2e s LYS 13 Cb 0.00 -1.09 -0.02 0.00 -0.52 0.00 0.00 37.83 36.20 1k2e s LYS 13 CO 0.00 0.24 -0.24 0.54 -0.92 0.00 0.00 175.35 174.97 1k2e s VAL 14 N -1.54 1.89 -0.32 3.17 0.11 0.91 -1.02 120.40 123.60 1k2e s VAL 14 Ca 0.06 -1.10 -0.22 0.00 -2.93 0.00 0.00 61.98 57.78 1k2e s VAL 14 Cb -0.08 -1.58 0.00 0.00 -1.53 0.00 0.00 36.38 33.18 1k2e s VAL 14 CO 0.04 0.46 0.74 -0.22 -3.33 0.00 0.00 175.10 172.79 1k2e s LEU 15 N -0.74 4.12 0.23 2.54 2.96 -0.84 -0.30 118.68 126.64 1k2e s LEU 15 Ca 0.09 0.53 0.10 0.00 -0.22 0.00 0.00 54.13 54.63 1k2e s LEU 15 Cb -0.09 -2.99 -0.05 0.00 0.50 0.00 0.00 46.19 43.56 1k2e s LEU 15 CO -0.00 -0.60 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.48 1k2e s LEU 16 N 2.89 2.53 0.24 -0.68 1.43 -0.63 -4.49 118.68 119.96 1k2e s LEU 16 Ca 0.30 -0.98 0.04 0.00 -1.03 0.00 0.00 54.13 52.46 1k2e s LEU 16 Cb -0.14 -0.94 -0.05 0.00 0.03 0.00 0.00 46.19 45.09 1k2e s LEU 16 CO 0.13 -0.02 -0.00 0.68 0.23 0.00 0.00 176.35 177.37 1k2e s VAL 17 N -2.46 1.05 -0.14 -1.59 -7.23 -0.47 -0.74 120.40 108.82 1k2e s VAL 17 Ca 0.24 -2.03 -0.19 0.00 -1.81 0.00 0.00 61.98 58.19 1k2e s VAL 17 Cb -0.04 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1k2e s VAL 17 CO 0.10 -0.31 0.53 -0.54 -0.31 0.00 0.00 175.10 174.58 1k2e s LYS 18 N -3.86 4.30 0.18 4.82 1.02 -1.26 -0.26 119.74 124.68 1k2e s LYS 18 Ca 0.29 0.51 -0.31 0.00 0.02 0.00 0.00 55.97 56.48 1k2e s LYS 18 Cb 0.06 -3.48 -0.10 0.00 -0.52 0.00 0.00 37.83 33.78 1k2e s LYS 18 CO 0.09 0.02 1.55 -1.58 -0.92 0.00 0.00 175.35 174.51 1k2e s HIS 19 N 1.04 3.04 0.44 3.18 5.65 -0.29 -4.90 115.29 123.46 1k2e s HIS 19 Ca 0.27 0.70 0.10 0.00 0.25 0.00 0.00 55.06 56.38 1k2e s HIS 19 Cb -0.16 -3.91 0.99 0.00 -1.18 0.00 0.00 32.58 28.32 1k2e s HIS 19 CO 0.11 -3.30 2.08 0.87 -0.65 0.00 0.00 174.74 173.85 1k2e h LYS 20 N 6.43 0.38 0.00 2.88 1.79 -1.96 -0.18 116.57 125.92 1k2e h LYS 20 Ca -0.43 -0.02 -0.31 0.00 -2.18 0.00 0.00 60.65 57.71 1k2e h LYS 20 Cb 1.21 -0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 31.72 1k2e h LYS 20 CO 0.89 0.25 -2.16 0.54 -1.08 0.00 0.00 179.45 177.89 1k2e n ARG 21 N -4.49 0.80 0.13 3.15 1.74 -1.26 -4.54 116.66 112.19 1k2e n ARG 21 Ca 0.02 0.08 0.01 0.00 -0.77 0.00 0.00 57.85 57.18 1k2e n ARG 21 Cb 0.08 -1.41 0.02 0.00 -1.02 0.00 0.00 32.46 30.13 1k2e n ARG 21 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1k2e h LEU 22 N 0.00 0.00 0.00 0.55 3.38 -1.97 -3.47 115.31 113.79 1k2e h LEU 22 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1k2e h LEU 22 Cb 1.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.56 1k2e h LEU 22 CO -0.04 0.58 0.00 0.61 0.09 0.00 0.00 178.44 179.68 1k2e n GLY 23 N 1.17 0.38 3.97 0.83 0.00 -0.08 -4.97 105.19 106.48 1k2e n GLY 23 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1k2e n GLY 23 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k2e s VAL 24 N -1.97 4.69 0.28 1.61 -7.23 -1.26 -4.73 120.40 111.79 1k2e s VAL 24 Ca 0.00 -0.80 -0.29 0.00 -1.81 0.00 0.00 61.98 59.08 1k2e s VAL 24 Cb 0.00 -3.67 -0.09 0.00 0.56 0.00 0.00 36.38 33.17 1k2e s VAL 24 CO 0.00 -0.33 1.03 -0.31 -0.31 0.00 0.00 175.10 175.18 1k2e s TYR 25 N -2.20 3.71 0.17 2.82 1.51 -0.13 -1.13 117.35 122.10 1k2e s TYR 25 Ca 0.41 1.78 -0.02 0.00 -1.01 0.00 0.00 57.07 58.23 1k2e s TYR 25 Cb -0.09 -3.15 -0.04 0.00 -0.11 0.00 0.00 41.96 38.57 1k2e s TYR 25 CO 0.32 -0.16 0.13 0.96 -1.11 0.00 0.00 175.55 175.70 1k2e s ILE 26 N -1.23 0.04 0.40 2.71 -4.36 0.64 -1.07 121.20 118.34 1k2e s ILE 26 Ca 0.44 -1.90 -0.24 0.00 -0.26 0.00 0.00 60.65 58.69 1k2e s ILE 26 Cb -0.28 -2.28 -0.09 0.00 1.25 0.00 0.00 42.46 41.06 1k2e s ILE 26 CO 0.36 -0.19 1.04 -0.31 0.24 0.00 0.00 174.94 176.08 1k2e s TYR 27 N -4.10 3.28 0.58 1.37 1.51 -1.26 -1.37 117.35 117.36 1k2e s TYR 27 Ca 0.31 1.65 -0.20 0.00 -1.01 0.00 0.00 57.07 57.83 1k2e s TYR 27 Cb 0.07 -3.10 -0.04 0.00 -0.11 0.00 0.00 41.96 38.78 1k2e s TYR 27 CO 0.07 -0.57 1.24 -2.14 -1.11 0.00 0.00 175.55 173.05 1k2e s PRO 28 N -2.52 3.02 0.00 -1.71 0.02 -1.25 -4.75 135.00 127.80 1k2e s PRO 28 Ca 0.58 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.52 1k2e s PRO 28 Cb -0.21 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.29 1k2e s PRO 28 CO 0.26 -1.19 0.00 0.41 -0.33 0.00 0.00 177.00 176.16 1k2e n GLY 29 N 0.59 -0.95 0.00 0.52 0.00 -1.26 -0.73 105.19 103.36 1k2e n GLY 29 Ca 0.13 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1k2e n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2e n GLY 30 N 0.00 -1.31 3.77 -0.02 0.00 0.01 -4.90 105.19 102.74 1k2e n GLY 30 Ca 0.00 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.57 1k2e n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1k2e s HIS 31 N -3.00 2.93 -0.30 1.61 3.76 -1.26 -0.82 115.29 118.21 1k2e s HIS 31 Ca 0.00 1.56 -0.19 0.00 -0.15 0.00 0.00 55.06 56.28 1k2e s HIS 31 Cb 0.00 -3.31 -0.01 0.00 1.11 0.00 0.00 32.58 30.36 1k2e s HIS 31 CO 0.00 -1.33 0.57 0.08 -0.85 0.00 0.00 174.74 173.21 1k2e s VAL 32 N -1.61 5.00 0.41 -0.90 1.01 -0.76 -4.84 120.40 118.71 1k2e s VAL 32 Ca 0.64 0.77 -0.24 0.00 0.00 0.00 0.00 61.98 63.15 1k2e s VAL 32 Cb -0.26 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.10 1k2e s VAL 32 CO 0.32 -0.07 1.13 -1.61 0.00 0.00 0.00 175.10 174.87 1k2e s GLU 33 N 2.46 4.02 0.61 2.72 0.41 -1.26 -4.88 118.70 122.78 1k2e s GLU 33 Ca 0.22 1.71 0.28 0.00 -0.41 0.00 0.00 54.97 56.78 1k2e s GLU 33 Cb -0.15 -2.57 1.48 0.00 -1.78 0.00 0.00 34.13 31.10 1k2e s GLU 33 CO 0.11 -0.31 1.88 0.45 -0.49 0.00 0.00 175.26 176.90 1k2e h HIS 34 N 2.46 0.00 -0.03 1.61 3.86 -2.00 -0.95 115.15 120.11 1k2e h HIS 34 Ca -0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1k2e h HIS 34 Cb 1.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.70 1k2e h HIS 34 CO 0.56 0.00 0.00 0.27 0.86 0.00 0.00 177.93 179.62 1k2e n ASN 35 N -3.53 2.26 -4.35 2.45 6.94 -1.26 -4.97 115.26 112.81 1k2e n ASN 35 Ca 0.06 -1.75 -0.18 0.00 -0.02 0.00 0.00 54.58 52.69 1k2e n ASN 35 Cb 0.63 -0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.94 1k2e n ASN 35 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1k2e s GLU 36 N -1.99 1.36 0.49 -3.83 -1.05 -0.36 -5.15 118.70 108.17 1k2e s GLU 36 Ca 0.33 -1.66 -0.04 0.00 -0.15 0.00 0.00 54.97 53.45 1k2e s GLU 36 Cb 0.20 -0.87 -0.02 0.00 -0.44 0.00 0.00 34.13 33.01 1k2e s GLU 36 CO 0.32 0.02 0.78 0.95 0.95 0.00 0.00 175.26 178.27 1k2e s THR 37 N -3.21 4.47 0.39 1.83 -4.23 -1.26 -4.63 115.64 109.00 1k2e s THR 37 Ca 0.26 -0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.83 1k2e s THR 37 Cb 0.04 -3.70 0.28 0.00 1.34 0.00 0.00 72.50 70.45 1k2e s THR 37 CO 0.08 -0.65 2.02 -0.65 -0.54 0.00 0.00 174.62 174.88 1k2e h PRO 38 N 0.19 0.65 -0.21 3.99 0.11 -1.98 0.44 132.00 135.18 1k2e h PRO 38 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1k2e h PRO 38 Cb 1.23 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1k2e h PRO 38 CO 0.61 0.43 0.08 0.82 -0.21 0.00 0.00 178.00 179.73 1k2e h ILE 39 N 0.67 1.17 -0.25 4.15 1.08 -2.00 -0.26 117.51 122.07 1k2e h ILE 39 Ca 0.22 -0.52 -0.09 0.00 -0.39 0.00 0.00 64.86 64.07 1k2e h ILE 39 Cb 0.04 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 1k2e h ILE 39 CO -0.05 0.17 -0.25 -0.33 -0.69 0.00 0.00 178.15 177.00 1k2e h GLU 40 N 0.19 0.48 -0.31 2.37 5.08 -1.77 -2.64 114.58 117.97 1k2e h GLU 40 Ca 0.07 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 1k2e h GLU 40 Cb 0.19 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1k2e h GLU 40 CO -0.00 0.69 -0.28 0.00 -1.00 0.00 0.00 179.01 178.41 1k2e h ALA 41 N 1.32 0.45 -0.36 3.43 0.00 -0.67 -1.34 119.26 122.10 1k2e h ALA 41 Ca 0.06 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 1k2e h ALA 41 Cb 0.66 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1k2e h ALA 41 CO 0.05 0.46 -0.16 -0.24 0.00 0.00 0.00 179.25 179.36 1k2e h VAL 42 N 0.50 1.26 -0.12 0.00 3.04 -1.01 0.58 116.25 120.50 1k2e h VAL 42 Ca 0.05 -1.19 -0.01 0.00 -1.01 0.00 0.00 66.70 64.54 1k2e h VAL 42 Cb 0.85 1.16 -0.00 0.00 -2.01 0.00 0.00 31.29 31.28 1k2e h VAL 42 CO 0.07 0.39 0.03 0.11 -1.01 0.00 0.00 177.57 177.17 1k2e h LYS 43 N 0.59 0.18 0.13 4.17 1.57 -1.34 -0.20 116.57 121.67 1k2e h LYS 43 Ca 0.10 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1k2e h LYS 43 Cb 0.61 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1k2e h LYS 43 CO 0.04 0.33 -0.13 -0.09 -0.57 0.00 0.00 179.45 179.04 1k2e h ARG 44 N 0.00 -0.27 -0.67 3.15 2.43 -1.07 -1.73 114.38 116.22 1k2e h ARG 44 Ca 0.04 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1k2e h ARG 44 Cb 0.23 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1k2e h ARG 44 CO -0.00 -0.18 0.42 0.93 -1.51 0.00 0.00 179.97 179.62 1k2e h GLU 45 N -0.28 0.90 -0.31 0.20 5.08 -0.84 -0.29 114.58 119.03 1k2e h GLU 45 Ca 0.00 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1k2e h GLU 45 Cb 0.27 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1k2e h GLU 45 CO -0.03 0.62 0.12 0.35 -1.00 0.00 0.00 179.01 179.08 1k2e h PHE 46 N 0.91 0.48 -0.55 4.33 3.57 -0.90 -0.49 116.94 124.28 1k2e h PHE 46 Ca 0.24 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 1k2e h PHE 46 Cb -0.06 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 1k2e h PHE 46 CO -0.02 0.46 0.02 1.49 -2.23 0.00 0.00 178.31 178.02 1k2e h GLU 47 N 0.36 0.97 -0.61 1.11 4.81 -1.14 -0.89 114.58 119.19 1k2e h GLU 47 Ca 0.10 -0.30 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 1k2e h GLU 47 Cb 0.18 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1k2e h GLU 47 CO -0.01 0.97 0.09 0.93 -0.73 0.00 0.00 179.01 180.26 1k2e h GLU 48 N 0.85 0.99 0.00 1.92 5.08 -0.91 0.88 114.58 123.40 1k2e h GLU 48 Ca 0.16 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 1k2e h GLU 48 Cb 0.52 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1k2e h GLU 48 CO 0.03 0.92 -0.48 0.93 -1.00 0.00 0.00 179.01 179.41 1k2e h GLU 49 N 0.93 0.00 0.00 2.33 5.08 -0.96 -3.40 114.58 118.55 1k2e h GLU 49 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1k2e h GLU 49 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1k2e h GLU 49 CO 0.01 0.19 -0.58 0.25 -1.00 0.00 0.00 179.01 177.88 1k2e n THR 50 N -3.05 0.00 0.00 1.13 -2.24 -0.35 -4.42 114.28 105.36 1k2e n THR 50 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1k2e n THR 50 Cb 0.63 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1k2e n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k2e n GLY 51 N 1.51 1.43 3.79 3.38 0.00 0.30 0.20 105.19 115.80 1k2e n GLY 51 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1k2e n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k2e s ILE 52 N -2.37 5.02 -0.17 -0.61 1.01 -1.25 -1.46 121.20 121.37 1k2e s ILE 52 Ca 0.00 0.96 -0.16 0.00 0.00 0.00 0.00 60.65 61.45 1k2e s ILE 52 Cb 0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1k2e s ILE 52 CO 0.00 0.49 0.39 -0.69 0.00 0.00 0.00 174.94 175.12 1k2e s VAL 53 N -0.51 5.23 0.30 2.92 1.01 0.24 -3.16 120.40 126.43 1k2e s VAL 53 Ca 0.26 0.72 0.04 0.00 0.00 0.00 0.00 61.98 62.99 1k2e s VAL 53 Cb -0.17 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 1k2e s VAL 53 CO 0.14 0.31 0.04 0.68 0.00 0.00 0.00 175.10 176.26 1k2e s VAL 54 N 0.92 1.18 -0.05 2.92 -7.23 -1.26 -0.26 120.40 116.62 1k2e s VAL 54 Ca 0.20 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.36 1k2e s VAL 54 Cb -0.14 -2.68 0.02 0.00 0.56 0.00 0.00 36.38 34.14 1k2e s VAL 54 CO 0.07 -0.08 -0.04 -0.70 -0.31 0.00 0.00 175.10 174.04 1k2e s GLU 55 N -3.88 0.87 0.28 4.82 2.56 0.04 -4.83 118.70 118.57 1k2e s GLU 55 Ca 0.35 -0.09 -0.29 0.00 0.00 0.00 0.00 54.97 54.93 1k2e s GLU 55 Cb 0.08 -0.94 -0.10 0.00 2.00 0.00 0.00 34.13 35.17 1k2e s GLU 55 CO 0.14 -0.13 1.36 -2.14 -0.56 0.00 0.00 175.26 173.93 1k2e s PRO 56 N 1.15 4.33 0.43 4.30 0.02 -1.26 -1.10 135.00 142.86 1k2e s PRO 56 Ca -0.07 2.23 0.01 0.00 0.02 0.00 0.00 61.00 63.18 1k2e s PRO 56 Cb -0.14 -3.10 -0.00 0.00 0.02 0.00 0.00 34.50 31.28 1k2e s PRO 56 CO -0.01 -0.29 0.02 0.44 -0.33 0.00 0.00 177.00 176.83 1k2e n ILE 57 N 1.64 0.00 0.00 2.83 -5.35 0.21 -4.90 119.36 113.78 1k2e n ILE 57 Ca 0.03 -2.09 0.00 0.00 -0.27 0.00 0.00 62.75 60.42 1k2e n ILE 57 Cb 0.41 0.48 0.00 0.00 -1.74 0.00 0.00 39.64 38.79 1k2e n ILE 57 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1k2e n GLY 58 N -0.32 1.32 3.76 3.28 0.00 -1.26 -4.29 105.19 107.68 1k2e n GLY 58 Ca -0.16 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 1k2e n GLY 58 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1k2e s PHE 59 N -1.15 3.20 -0.07 1.61 5.36 -1.26 -4.63 117.98 121.05 1k2e s PHE 59 Ca 0.00 1.46 -0.12 0.00 -0.96 0.00 0.00 56.93 57.31 1k2e s PHE 59 Cb 0.00 -3.57 0.03 0.00 -0.34 0.00 0.00 43.02 39.13 1k2e s PHE 59 CO 0.00 -1.54 0.29 -0.08 -1.46 0.00 0.00 175.22 172.44 1k2e s THR 60 N -1.00 0.03 -0.63 0.12 -1.32 -1.26 -1.65 115.64 109.92 1k2e s THR 60 Ca 0.49 -0.23 0.26 0.00 -1.21 0.00 0.00 61.69 60.99 1k2e s THR 60 Cb -0.37 -0.50 0.29 0.00 -1.51 0.00 0.00 72.50 70.41 1k2e s THR 60 CO 0.48 -0.13 1.76 1.88 -2.21 0.00 0.00 174.62 176.40 1k2e h TYR 61 N 4.91 0.00 0.00 9.09 -1.99 -1.96 -3.47 116.97 123.54 1k2e h TYR 61 Ca -0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.45 1k2e h TYR 61 Cb 1.18 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.91 1k2e h TYR 61 CO 0.46 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.03 1k2e n GLY 62 N 1.02 0.70 3.73 3.88 0.00 -1.26 -5.03 105.19 108.23 1k2e n GLY 62 Ca 0.05 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 1k2e n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k2e s ILE 63 N -2.00 3.42 -0.28 -0.61 1.01 -1.26 -4.95 121.20 116.53 1k2e s ILE 63 Ca 0.00 1.14 -0.18 0.00 0.00 0.00 0.00 60.65 61.61 1k2e s ILE 63 Cb 0.00 -3.73 0.09 0.00 0.01 0.00 0.00 42.46 38.84 1k2e s ILE 63 CO 0.00 0.15 0.76 -0.51 0.00 0.00 0.00 174.94 175.35 1k2e s ILE 64 N 0.30 0.00 0.34 2.92 2.07 -1.26 -1.30 121.20 124.26 1k2e s ILE 64 Ca 0.57 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.72 1k2e s ILE 64 Cb -0.35 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.28 1k2e s ILE 64 CO 0.36 0.00 0.60 -0.90 -1.91 0.00 0.00 174.94 173.09 1k2e n ASP 65 N 3.87 -1.73 0.25 4.50 5.75 -0.43 -5.00 116.55 123.76 1k2e n ASP 65 Ca -0.18 -2.52 0.15 0.00 -0.01 0.00 0.00 54.79 52.23 1k2e n ASP 65 Cb 0.58 2.97 0.82 0.00 -1.03 0.00 0.00 41.12 44.46 1k2e n ASP 65 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1k2e h GLU 66 N 0.00 0.00 0.00 0.11 3.07 -2.06 -2.85 114.58 112.85 1k2e h GLU 66 Ca -0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 1k2e h GLU 66 Cb 1.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 1k2e h GLU 66 CO 0.36 0.00 -1.29 0.09 -1.40 0.00 0.00 179.01 176.77 1k2e n ASN 67 N -2.60 1.13 -3.50 1.42 3.02 -1.26 -5.05 115.26 108.42 1k2e n ASN 67 Ca -0.02 -0.37 -0.10 0.00 -0.03 0.00 0.00 54.58 54.07 1k2e n ASN 67 Cb 0.12 1.41 -0.03 0.00 -0.61 0.00 0.00 39.78 40.67 1k2e n ASN 67 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k2e s ALA 68 N -2.80 -1.79 -0.04 5.41 0.00 -1.08 -5.15 121.76 116.30 1k2e s ALA 68 Ca -0.01 1.02 0.01 0.00 0.00 0.00 0.00 51.96 52.98 1k2e s ALA 68 Cb 0.11 0.33 0.02 0.00 0.00 0.00 0.00 23.12 23.57 1k2e s ALA 68 CO 0.64 -0.63 -0.06 0.54 0.00 0.00 0.00 175.76 176.24 1k2e s VAL 69 N -2.84 0.63 0.34 0.00 0.11 -1.26 -1.31 120.40 116.07 1k2e s VAL 69 Ca 0.02 -0.21 -0.27 0.00 -2.93 0.00 0.00 61.98 58.60 1k2e s VAL 69 Cb -0.01 -0.62 -0.09 0.00 -1.53 0.00 0.00 36.38 34.13 1k2e s VAL 69 CO -0.07 0.23 1.11 -0.70 -3.33 0.00 0.00 175.10 172.34 1k2e s GLU 70 N 0.69 4.35 0.08 1.54 2.12 -0.42 -5.02 118.70 122.05 1k2e s GLU 70 Ca -0.10 1.74 0.06 0.00 0.36 0.00 0.00 54.97 57.03 1k2e s GLU 70 Cb -0.13 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 1k2e s GLU 70 CO 0.01 -0.03 -0.06 1.03 -0.54 0.00 0.00 175.26 175.67 1k2e s ARG 71 N -1.96 2.35 0.54 4.30 1.81 -1.26 -4.91 118.95 119.81 1k2e s ARG 71 Ca 0.51 -0.91 -0.22 0.00 -1.72 0.00 0.00 55.73 53.40 1k2e s ARG 71 Cb -0.29 -2.43 -0.05 0.00 -0.45 0.00 0.00 34.95 31.73 1k2e s ARG 71 CO 0.37 0.53 1.33 -1.25 -0.68 0.00 0.00 175.30 175.61 1k2e s PRO 72 N -2.13 3.20 0.32 3.54 0.04 -1.26 -4.88 135.00 133.82 1k2e s PRO 72 Ca 0.22 2.17 -0.29 0.00 0.04 0.00 0.00 61.00 63.15 1k2e s PRO 72 Cb -0.11 -2.26 -0.10 0.00 0.04 0.00 0.00 34.50 32.07 1k2e s PRO 72 CO 0.15 -1.12 1.23 -1.64 0.04 0.00 0.00 177.00 175.65 1k2e s MET 73 N -2.90 4.41 0.90 4.56 -1.94 -0.66 -4.92 119.30 118.76 1k2e s MET 73 Ca 0.71 2.05 -0.10 0.00 -1.71 0.00 0.00 55.69 56.64 1k2e s MET 73 Cb -0.39 -3.06 0.13 0.00 2.01 0.00 0.00 34.83 33.52 1k2e s MET 73 CO 0.46 -0.08 1.13 -2.14 -0.01 0.00 0.00 175.02 174.38 1k2e s PRO 74 N -1.74 1.17 0.16 2.03 0.02 -1.26 -4.39 135.00 130.98 1k2e s PRO 74 Ca 0.48 1.44 -0.11 0.00 0.02 0.00 0.00 61.00 62.83 1k2e s PRO 74 Cb -0.36 -1.75 0.02 0.00 0.02 0.00 0.00 34.50 32.43 1k2e s PRO 74 CO 0.48 -2.49 1.59 1.25 -0.33 0.00 0.00 177.00 177.50 1k2e h LEU 75 N -1.76 0.94 -7.00 -5.54 5.85 -0.12 -3.46 115.31 104.22 1k2e h LEU 75 Ca -0.44 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 57.93 1k2e h LEU 75 Cb 1.26 -0.25 -0.16 0.00 0.37 0.00 0.00 40.66 41.88 1k2e h LEU 75 CO 0.44 1.05 0.26 0.54 -0.34 0.00 0.00 178.44 180.38 1k2e s VAL 76 N -4.92 0.00 -0.22 1.05 0.11 -1.12 -5.05 120.40 110.25 1k2e s VAL 76 Ca -0.12 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.95 1k2e s VAL 76 Cb 0.12 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 34.01 1k2e s VAL 76 CO 0.84 0.00 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.84 1k2e s ILE 77 N -2.32 1.98 -0.08 7.04 1.01 -1.26 -1.65 121.20 125.91 1k2e s ILE 77 Ca -0.04 -1.22 0.04 0.00 0.00 0.00 0.00 60.65 59.43 1k2e s ILE 77 Cb -0.01 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 1k2e s ILE 77 CO -0.01 0.22 -0.21 -0.76 0.00 0.00 0.00 174.94 174.18 1k2e s LEU 78 N 1.25 2.29 -0.50 2.97 1.43 -0.78 -4.96 118.68 120.39 1k2e s LEU 78 Ca -0.02 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.48 1k2e s LEU 78 Cb -0.17 -1.45 0.08 0.00 0.03 0.00 0.00 46.19 44.68 1k2e s LEU 78 CO -0.09 0.23 0.48 -0.70 0.23 0.00 0.00 176.35 176.50 1k2e s GLU 79 N -0.07 3.01 -0.04 1.70 2.12 -1.26 -0.34 118.70 123.82 1k2e s GLU 79 Ca -0.05 -1.31 -0.01 0.00 0.36 0.00 0.00 54.97 53.96 1k2e s GLU 79 Cb -0.14 -4.16 -0.04 0.00 0.26 0.00 0.00 34.13 30.05 1k2e s GLU 79 CO 0.04 -1.14 0.05 -1.21 -0.54 0.00 0.00 175.26 172.46 1k2e s GLU 80 N 1.90 3.05 -0.08 4.30 2.02 0.53 -4.90 118.70 125.52 1k2e s GLU 80 Ca 0.07 -0.44 -0.18 0.00 0.02 0.00 0.00 54.97 54.44 1k2e s GLU 80 Cb -0.24 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 31.09 1k2e s GLU 80 CO 0.07 0.67 0.48 0.08 0.02 0.00 0.00 175.26 176.58 1k2e s VAL 81 N -1.07 5.11 -0.16 2.63 1.01 -1.26 -0.16 120.40 126.50 1k2e s VAL 81 Ca 0.19 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1k2e s VAL 81 Cb -0.12 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.49 1k2e s VAL 81 CO 0.09 0.39 -0.09 -0.69 0.00 0.00 0.00 175.10 174.80 1k2e s VAL 82 N 0.15 1.34 -0.31 2.92 1.01 -0.36 -4.97 120.40 120.19 1k2e s VAL 82 Ca 0.26 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 1k2e s VAL 82 Cb -0.16 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.85 1k2e s VAL 82 CO 0.12 0.28 0.11 -0.75 0.00 0.00 0.00 175.10 174.86 1k2e s LYS 83 N 1.55 3.03 0.18 2.72 2.20 -1.26 -0.15 119.74 128.01 1k2e s LYS 83 Ca 0.02 -0.91 0.05 0.00 -0.36 0.00 0.00 55.97 54.78 1k2e s LYS 83 Cb -0.14 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1k2e s LYS 83 CO -0.09 -0.50 0.13 0.71 -0.36 0.00 0.00 175.35 175.25 1k2e s TYR 84 N 1.51 3.12 0.44 4.03 4.12 -0.52 -5.00 117.35 125.04 1k2e s TYR 84 Ca 0.02 -0.04 0.15 0.00 0.02 0.00 0.00 57.07 57.22 1k2e s TYR 84 Cb -0.18 -1.49 1.06 0.00 -1.52 0.00 0.00 41.96 39.84 1k2e s TYR 84 CO 0.04 0.52 1.96 -1.00 0.02 0.00 0.00 175.55 177.09 1k2e h PRO 85 N 2.31 0.37 0.00 -1.71 0.13 -2.04 -2.47 132.00 128.59 1k2e h PRO 85 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1k2e h PRO 85 Cb 1.21 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1k2e h PRO 85 CO 0.62 0.25 -0.24 1.05 -0.23 0.00 0.00 178.00 179.45 1k2e h GLU 86 N 0.38 0.00 -1.34 0.86 9.09 -2.02 -3.47 114.58 118.08 1k2e h GLU 86 Ca 0.30 0.00 0.15 0.00 0.05 0.00 0.00 59.36 59.86 1k2e h GLU 86 Cb 0.66 0.00 -0.25 0.00 -1.65 0.00 0.00 28.75 27.51 1k2e h GLU 86 CO -0.08 0.00 0.72 -2.00 0.05 0.00 0.00 179.01 177.70 1k2e s GLU 87 N -3.23 0.36 -0.21 1.06 2.12 -0.93 -5.13 118.70 112.74 1k2e s GLU 87 Ca 0.06 0.11 -0.09 0.00 0.36 0.00 0.00 54.97 55.40 1k2e s GLU 87 Cb 0.07 0.17 -0.05 0.00 0.26 0.00 0.00 34.13 34.58 1k2e s GLU 87 CO 0.69 -0.11 0.12 0.99 -0.54 0.00 0.00 175.26 176.41 1k2e s THR 88 N -0.97 5.10 0.12 -1.70 2.01 -1.26 -1.44 115.64 117.49 1k2e s THR 88 Ca 0.03 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.15 1k2e s THR 88 Cb -0.01 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 1k2e s THR 88 CO -0.03 0.40 0.14 -1.00 -0.69 0.00 0.00 174.62 173.44 1k2e s HIS 89 N 0.74 3.24 -0.15 4.92 0.09 0.78 -4.97 115.29 119.95 1k2e s HIS 89 Ca 0.06 0.06 0.00 0.00 -0.00 0.00 0.00 55.06 55.19 1k2e s HIS 89 Cb -0.13 -1.60 0.02 0.00 -0.00 0.00 0.00 32.58 30.88 1k2e s HIS 89 CO 0.02 0.53 -0.13 0.42 -0.00 0.00 0.00 174.74 175.57 1k2e s ILE 90 N -1.58 1.50 -0.20 0.60 -1.09 -1.26 -1.22 121.20 117.96 1k2e s ILE 90 Ca 0.31 -0.60 -0.07 0.00 -2.23 0.00 0.00 60.65 58.07 1k2e s ILE 90 Cb -0.11 -1.42 -0.04 0.00 -1.58 0.00 0.00 42.46 39.31 1k2e s ILE 90 CO 0.24 0.44 0.05 -1.00 -1.23 0.00 0.00 174.94 173.44 1k2e s HIS 91 N 1.51 3.16 -0.61 3.97 3.76 0.77 -2.34 115.29 125.52 1k2e s HIS 91 Ca 0.05 -0.13 -0.19 0.00 -0.15 0.00 0.00 55.06 54.64 1k2e s HIS 91 Cb -0.13 -2.11 0.11 0.00 1.11 0.00 0.00 32.58 31.56 1k2e s HIS 91 CO -0.10 -0.03 0.73 0.12 -0.85 0.00 0.00 174.74 174.60 1k2e s PHE 92 N 0.76 3.00 -0.38 1.40 5.36 -0.10 -0.35 117.98 127.67 1k2e s PHE 92 Ca 0.03 -0.98 -0.16 0.00 -0.96 0.00 0.00 56.93 54.86 1k2e s PHE 92 Cb -0.14 -4.04 0.01 0.00 -0.34 0.00 0.00 43.02 38.51 1k2e s PHE 92 CO 0.02 -1.32 0.36 0.34 -1.46 0.00 0.00 175.22 173.16 1k2e s ASP 93 N 3.60 6.15 -0.63 6.13 2.15 0.53 -1.28 116.67 133.33 1k2e s ASP 93 Ca 0.13 -0.56 -0.24 0.00 0.43 0.00 0.00 52.55 52.30 1k2e s ASP 93 Cb -0.23 -2.19 0.05 0.00 -0.30 0.00 0.00 42.92 40.25 1k2e s ASP 93 CO 0.06 -0.43 1.01 -0.76 -0.17 0.00 0.00 175.17 174.87 1k2e s LEU 94 N 1.94 4.08 -0.32 -1.34 1.43 -0.31 -1.86 118.68 122.29 1k2e s LEU 94 Ca 0.10 -0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 52.38 1k2e s LEU 94 Cb -0.17 -2.62 -0.01 0.00 0.03 0.00 0.00 46.19 43.42 1k2e s LEU 94 CO 0.12 -1.42 0.48 -0.63 0.23 0.00 0.00 176.35 175.13 1k2e s ILE 95 N 4.28 5.06 -0.08 -0.59 1.01 -0.66 -2.12 121.20 128.09 1k2e s ILE 95 Ca 0.28 0.44 -0.04 0.00 0.00 0.00 0.00 60.65 61.33 1k2e s ILE 95 Cb -0.14 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1k2e s ILE 95 CO 0.15 -0.11 0.10 -0.31 0.00 0.00 0.00 174.94 174.77 1k2e s TYR 96 N 2.31 3.43 0.16 3.97 1.51 0.14 0.64 117.35 129.51 1k2e s TYR 96 Ca 0.18 0.37 -0.30 0.00 -1.01 0.00 0.00 57.07 56.31 1k2e s TYR 96 Cb -0.16 -1.86 -0.07 0.00 -0.11 0.00 0.00 41.96 39.77 1k2e s TYR 96 CO 0.12 0.63 1.00 -1.17 -1.11 0.00 0.00 175.55 175.02 1k2e s LEU 97 N -1.20 4.53 0.22 -1.29 2.96 -1.26 -0.48 118.68 122.16 1k2e s LEU 97 Ca 0.17 1.93 0.04 0.00 -0.22 0.00 0.00 54.13 56.05 1k2e s LEU 97 Cb -0.12 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 1k2e s LEU 97 CO 0.07 -0.07 -0.03 0.68 -1.32 0.00 0.00 176.35 175.68 1k2e s VAL 98 N -0.35 1.12 0.11 1.68 -7.23 -0.54 -0.62 120.40 114.57 1k2e s VAL 98 Ca 0.46 -2.05 0.07 0.00 -1.81 0.00 0.00 61.98 58.65 1k2e s VAL 98 Cb -0.26 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1k2e s VAL 98 CO 0.32 -0.40 -0.17 -1.59 -0.31 0.00 0.00 175.10 172.95 1k2e s LYS 99 N -3.83 1.05 0.23 4.82 -2.85 -0.26 -4.55 119.74 114.35 1k2e s LYS 99 Ca 0.26 -1.17 -0.30 0.00 -1.00 0.00 0.00 55.97 53.77 1k2e s LYS 99 Cb 0.05 -1.14 -0.09 0.00 -2.06 0.00 0.00 37.83 34.59 1k2e s LYS 99 CO 0.08 0.25 1.10 0.50 0.10 0.00 0.00 175.35 177.37 1k2e s ARG 100 N -2.17 4.62 0.00 1.78 3.52 -1.26 -0.78 118.95 124.66 1k2e s ARG 100 Ca 0.06 1.76 0.00 0.00 -0.13 0.00 0.00 55.73 57.42 1k2e s ARG 100 Cb -0.08 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 30.08 1k2e s ARG 100 CO 0.04 0.15 0.10 1.33 -0.81 0.00 0.00 175.30 176.12 1k2e n VAL 101 N 1.76 0.00 -3.35 7.11 0.24 0.64 -4.87 118.33 119.86 1k2e n VAL 101 Ca 0.01 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1k2e n VAL 101 Cb 0.45 1.29 0.00 0.00 -1.47 0.00 0.00 33.84 34.11 1k2e n VAL 101 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k2e n GLY 102 N 0.21 -1.28 6.40 7.63 0.00 -1.00 -4.99 105.19 112.16 1k2e n GLY 102 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1k2e n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2e n GLY 103 N 0.00 -2.02 3.62 -0.02 0.00 -1.26 -0.59 105.19 104.91 1k2e n GLY 103 Ca 0.00 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.41 1k2e n GLY 103 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k2e s ASP 104 N -4.00 -0.68 0.09 1.61 2.15 -0.54 -4.81 116.67 110.49 1k2e s ASP 104 Ca 0.00 1.24 -0.31 0.00 0.43 0.00 0.00 52.55 53.91 1k2e s ASP 104 Cb 0.00 1.23 -0.10 0.00 -0.30 0.00 0.00 42.92 43.76 1k2e s ASP 104 CO 0.00 -0.28 1.86 -0.22 -0.17 0.00 0.00 175.17 176.36 1k2e s LEU 105 N 0.13 4.41 0.00 -1.34 2.96 -1.26 -3.82 118.68 119.75 1k2e s LEU 105 Ca -0.01 2.70 0.00 0.00 -0.22 0.00 0.00 54.13 56.60 1k2e s LEU 105 Cb -0.04 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.09 1k2e s LEU 105 CO 0.01 -1.01 0.00 0.29 -1.32 0.00 0.00 176.35 174.32 1k2e n LYS 106 N 6.33 2.09 -3.58 1.98 5.02 0.13 -4.99 118.16 125.15 1k2e n LYS 106 Ca 0.18 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.31 1k2e n LYS 106 Cb 0.39 -0.97 -0.06 0.00 -0.02 0.00 0.00 35.03 34.38 1k2e n LYS 106 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1k2e s ASN 107 N -2.37 -0.52 0.00 4.39 0.01 -1.10 -4.99 114.94 110.36 1k2e s ASN 107 Ca 0.00 0.46 0.00 0.00 -0.71 0.00 0.00 52.86 52.61 1k2e s ASN 107 Cb 0.00 0.49 0.00 0.00 0.41 0.00 0.00 41.25 42.15 1k2e s ASN 107 CO 0.00 -0.61 0.00 0.61 -1.51 0.00 0.00 177.10 175.59 1k2e n GLY 108 N 0.85 1.76 2.91 0.66 0.00 -1.26 -4.28 105.19 105.82 1k2e n GLY 108 Ca -0.19 -2.06 -0.15 0.00 0.00 0.00 0.00 46.02 43.62 1k2e n GLY 108 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k2e s GLU 109 N -1.99 0.29 -0.35 1.61 2.02 0.08 -4.97 118.70 115.38 1k2e s GLU 109 Ca 0.00 -0.08 -0.26 0.00 0.02 0.00 0.00 54.97 54.65 1k2e s GLU 109 Cb 0.00 -0.31 0.01 0.00 0.10 0.00 0.00 34.13 33.93 1k2e s GLU 109 CO 0.00 0.03 0.93 -1.58 0.02 0.00 0.00 175.26 174.66 1k2e s TRP 110 N 0.14 3.11 -0.20 1.61 0.52 -1.26 -1.61 118.94 121.25 1k2e s TRP 110 Ca -0.01 0.84 -0.07 0.00 0.02 0.00 0.00 56.10 56.89 1k2e s TRP 110 Cb -0.04 -3.59 -0.03 0.00 -1.15 0.00 0.00 33.47 28.65 1k2e s TRP 110 CO -0.00 -0.78 0.04 0.42 0.02 0.00 0.00 176.95 176.65 1k2e s ILE 111 N 3.43 4.47 0.15 2.03 -1.09 0.59 -4.83 121.20 125.95 1k2e s ILE 111 Ca 0.38 -0.14 -0.33 0.00 -2.23 0.00 0.00 60.65 58.34 1k2e s ILE 111 Cb -0.12 -3.02 -0.12 0.00 -1.58 0.00 0.00 42.46 37.61 1k2e s ILE 111 CO 0.17 0.43 1.72 -0.67 -1.23 0.00 0.00 174.94 175.36 1k2e n ASP 112 N 3.93 3.69 0.31 3.58 -0.08 -1.26 -0.06 116.55 126.65 1k2e n ASP 112 Ca -0.17 1.04 0.20 0.00 -1.51 0.00 0.00 54.79 54.36 1k2e n ASP 112 Cb 0.52 -1.51 0.96 0.00 2.34 0.00 0.00 41.12 43.43 1k2e n ASP 112 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1k2e h VAL 113 N 4.07 0.03 -0.02 5.18 -1.51 -1.61 0.98 116.25 123.38 1k2e h VAL 113 Ca -0.45 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 1k2e h VAL 113 Cb 1.23 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 1k2e h VAL 113 CO 0.93 0.01 -0.02 0.54 -1.23 0.00 0.00 177.57 177.80 1k2e n ARG 114 N -3.11 1.70 -0.07 5.19 5.12 -1.26 -3.79 116.66 120.44 1k2e n ARG 114 Ca -0.01 -1.06 0.07 0.00 -1.93 0.00 0.00 57.85 54.92 1k2e n ARG 114 Cb 0.19 -1.48 0.10 0.00 -1.16 0.00 0.00 32.46 30.11 1k2e n ARG 114 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1k2e n GLU 115 N 0.27 1.91 0.32 5.56 1.02 0.33 -4.73 120.64 125.32 1k2e n GLU 115 Ca 0.18 -2.25 0.21 0.00 -0.02 0.00 0.00 57.16 55.28 1k2e n GLU 115 Cb 0.39 -1.36 1.07 0.00 -0.02 0.00 0.00 31.44 31.52 1k2e n GLU 115 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1k2e h ILE 116 N 0.12 0.02 0.00 -3.67 2.04 -1.62 -1.58 117.51 112.83 1k2e h ILE 116 Ca 0.00 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1k2e h ILE 116 Cb 0.86 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1k2e h ILE 116 CO 0.01 0.00 0.00 0.44 0.00 0.00 0.00 178.15 178.60 1k2e h ASP 117 N 0.00 0.00 0.99 1.72 3.32 -1.90 -3.11 116.42 117.44 1k2e h ASP 117 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1k2e h ASP 117 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1k2e h ASP 117 CO 0.00 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 1k2e n ARG 118 N -2.73 0.06 -4.48 3.56 1.74 -0.59 -4.83 116.66 109.39 1k2e n ARG 118 Ca 0.03 0.10 -0.23 0.00 -0.77 0.00 0.00 57.85 56.97 1k2e n ARG 118 Cb 0.36 -1.57 -0.10 0.00 -1.02 0.00 0.00 32.46 30.13 1k2e n ARG 118 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1k2e s ILE 119 N -3.03 1.97 -0.28 0.55 -4.36 -1.18 -5.10 121.20 109.77 1k2e s ILE 119 Ca 0.12 -2.19 -0.24 0.00 -0.26 0.00 0.00 60.65 58.08 1k2e s ILE 119 Cb 0.16 -2.50 -0.00 0.00 1.25 0.00 0.00 42.46 41.36 1k2e s ILE 119 CO 0.49 -0.28 0.81 -0.70 0.24 0.00 0.00 174.94 175.51 1k2e s GLU 120 N -3.66 4.07 0.14 0.37 2.56 -1.26 -5.02 118.70 115.91 1k2e s GLU 120 Ca 0.30 0.77 0.07 0.00 0.00 0.00 0.00 54.97 56.12 1k2e s GLU 120 Cb 0.02 -3.69 -0.04 0.00 2.00 0.00 0.00 34.13 32.43 1k2e s GLU 120 CO 0.14 -0.60 -0.17 0.95 -0.56 0.00 0.00 175.26 175.02 1k2e s THR 121 N 2.92 1.59 0.64 -1.70 -4.23 -1.26 -0.96 115.64 112.64 1k2e s THR 121 Ca 0.34 -1.77 -0.18 0.00 -1.18 0.00 0.00 61.69 58.90 1k2e s THR 121 Cb -0.15 -1.66 -0.02 0.00 1.34 0.00 0.00 72.50 72.02 1k2e s THR 121 CO 0.10 -0.32 1.25 0.33 -0.54 0.00 0.00 174.62 175.44 1k2e n PHE 122 N 0.53 1.76 -1.70 3.99 7.35 -0.23 -4.83 117.46 124.33 1k2e n PHE 122 Ca -0.15 0.42 -0.41 0.00 -0.76 0.00 0.00 57.45 56.55 1k2e n PHE 122 Cb 0.56 -2.25 0.01 0.00 0.35 0.00 0.00 39.48 38.16 1k2e n PHE 122 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1k2e n PRO 123 N -1.78 1.93 -0.88 -7.13 -0.02 -1.26 -2.42 135.00 123.44 1k2e n PRO 123 Ca 0.16 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1k2e n PRO 123 Cb 0.48 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1k2e n PRO 123 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1k2e n ASN 124 N 0.23 -1.75 -0.19 2.55 3.02 -1.26 -4.85 115.26 113.01 1k2e n ASN 124 Ca 0.07 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.56 1k2e n ASN 124 Cb 0.39 -1.30 0.05 0.00 -0.61 0.00 0.00 39.78 38.31 1k2e n ASN 124 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1k2e h VAL 125 N 0.00 1.07 0.00 2.41 2.07 -1.83 0.26 116.25 120.23 1k2e h VAL 125 Ca 0.00 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1k2e h VAL 125 Cb 0.17 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1k2e h VAL 125 CO 0.00 0.13 -0.00 -0.09 0.02 0.00 0.00 177.57 177.62 1k2e h ARG 126 N 0.69 -0.00 -0.94 1.57 1.12 -1.89 -0.85 114.38 114.08 1k2e h ARG 126 Ca 0.23 0.00 0.08 0.00 -1.11 0.00 0.00 59.98 59.18 1k2e h ARG 126 Cb 0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 29.90 1k2e h ARG 126 CO -0.09 0.17 0.61 0.87 -3.11 0.00 0.00 179.97 178.41 1k2e h LYS 127 N -0.17 0.98 -0.24 0.20 1.57 -1.90 -1.96 116.57 115.05 1k2e h LYS 127 Ca -0.00 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 1k2e h LYS 127 Cb 0.17 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1k2e h LYS 127 CO 0.00 0.65 -0.46 0.28 -0.57 0.00 0.00 179.45 179.35 1k2e h VAL 128 N 1.01 1.30 -0.23 0.50 2.07 -0.72 -2.37 116.25 117.82 1k2e h VAL 128 Ca 0.43 -1.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.21 1k2e h VAL 128 Cb 0.31 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1k2e h VAL 128 CO -0.18 0.52 -0.21 1.62 0.02 0.00 0.00 177.57 179.34 1k2e h VAL 129 N 0.50 1.25 -0.74 2.57 3.04 -0.47 -0.79 116.25 121.62 1k2e h VAL 129 Ca 0.03 -1.14 -0.01 0.00 -1.01 0.00 0.00 66.70 64.57 1k2e h VAL 129 Cb 0.99 1.30 -0.03 0.00 -2.01 0.00 0.00 31.29 31.54 1k2e h VAL 129 CO 0.09 0.36 0.42 -1.28 -1.01 0.00 0.00 177.57 176.15 1k2e h SER 130 N 0.38 0.91 -0.51 3.17 0.87 -1.08 0.76 113.55 118.05 1k2e h SER 130 Ca 0.06 -0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 1k2e h SER 130 Cb 0.58 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.29 1k2e h SER 130 CO 0.04 0.73 0.05 -0.07 -0.53 0.00 0.00 176.83 177.05 1k2e h LEU 131 N 1.01 0.87 -0.40 2.23 3.38 -0.83 -1.02 115.31 120.55 1k2e h LEU 131 Ca 0.26 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1k2e h LEU 131 Cb 0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1k2e h LEU 131 CO -0.04 0.90 0.14 0.00 0.09 0.00 0.00 178.44 179.52 1k2e h ALA 132 N 1.20 0.52 -0.51 1.53 0.00 -0.56 -1.22 119.26 120.22 1k2e h ALA 132 Ca 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1k2e h ALA 132 Cb 0.43 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1k2e h ALA 132 CO 0.01 0.16 0.21 -0.07 0.00 0.00 0.00 179.25 179.56 1k2e h LEU 133 N 0.50 0.71 -1.01 0.00 3.38 -0.62 -0.30 115.31 117.97 1k2e h LEU 133 Ca 0.13 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1k2e h LEU 133 Cb 0.24 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1k2e h LEU 133 CO -0.01 0.68 0.26 0.28 0.09 0.00 0.00 178.44 179.74 1k2e h SER 134 N 0.69 0.89 -0.46 -0.43 0.02 -1.00 -1.08 113.55 112.18 1k2e h SER 134 Ca 0.17 -0.12 -0.13 0.00 -0.84 0.00 0.00 61.79 60.87 1k2e h SER 134 Cb 0.19 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1k2e h SER 134 CO -0.01 0.79 -0.20 0.74 -1.14 0.00 0.00 176.83 177.01 1k2e h THR 135 N 0.95 1.27 -0.45 -2.27 2.02 -0.86 -1.06 112.91 112.51 1k2e h THR 135 Ca 0.22 -1.36 -0.09 0.00 0.77 0.00 0.00 66.41 65.95 1k2e h THR 135 Cb 0.18 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1k2e h THR 135 CO -0.02 0.47 -0.09 -0.07 0.37 0.00 0.00 175.52 176.18 1k2e h LEU 136 N 0.79 0.79 -0.31 2.58 3.38 -0.76 -0.55 115.31 121.23 1k2e h LEU 136 Ca 0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1k2e h LEU 136 Cb 0.78 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1k2e h LEU 136 CO 0.06 0.91 0.07 0.22 0.09 0.00 0.00 178.44 179.79 1k2e h TYR 137 N 0.73 0.53 -0.36 1.13 3.20 -1.07 0.77 116.97 121.91 1k2e h TYR 137 Ca 0.13 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1k2e h TYR 137 Cb 0.57 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1k2e h TYR 137 CO 0.03 0.57 0.20 0.00 -1.64 0.00 0.00 178.16 177.32 1k2e h ARG 138 N 0.34 0.48 0.00 1.82 3.08 -0.82 0.35 114.38 119.63 1k2e h ARG 138 Ca 0.10 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1k2e h ARG 138 Cb 0.31 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1k2e h ARG 138 CO 0.00 0.35 0.00 1.28 -1.07 0.00 0.00 179.97 180.53 1k2e n LEU 139 N -4.45 0.00 -0.04 3.04 4.77 -0.25 -4.88 117.00 115.19 1k2e n LEU 139 Ca 0.02 0.40 -0.01 0.00 -0.03 0.00 0.00 56.01 56.39 1k2e n LEU 139 Cb 0.09 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1k2e n LEU 139 CO 0.36 -0.07 -0.01 0.61 -1.33 0.00 0.00 177.39 176.95 1k2e n GLY 140 N 0.88 0.47 0.07 -0.72 0.00 0.11 -4.93 105.19 101.06 1k2e n GLY 140 Ca 0.09 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 1k2e n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k2e h LYS 141 N 0.45 0.02 -4.62 1.61 1.79 -1.05 -3.47 116.57 111.29 1k2e h LYS 141 Ca -0.01 -0.03 -0.24 0.00 -2.18 0.00 0.00 60.65 58.20 1k2e h LYS 141 Cb 0.06 0.01 -0.15 0.00 -1.58 0.00 0.00 32.23 30.57 1k2e h LYS 141 CO 0.02 0.90 -0.66 0.96 -1.08 0.00 0.00 179.45 179.58 1k2e s ILE 142 N -2.68 0.47 0.74 1.86 -4.36 -1.20 -5.00 121.20 111.03 1k2e s ILE 142 Ca -0.01 -1.94 -0.11 0.00 -0.26 0.00 0.00 60.65 58.33 1k2e s ILE 142 Cb 0.09 -1.99 0.04 0.00 1.25 0.00 0.00 42.46 41.85 1k2e s ILE 142 CO 0.82 -0.57 1.12 -0.94 0.24 0.00 0.00 174.94 175.62 1k2e s SER 143 N -3.10 5.11 0.22 4.36 1.04 -1.26 -4.34 113.70 115.73 1k2e s SER 143 Ca 0.21 0.99 -0.08 0.00 0.48 0.00 0.00 55.95 57.55 1k2e s SER 143 Cb 0.07 -1.68 0.18 0.00 0.10 0.00 0.00 66.02 64.68 1k2e s SER 143 CO 0.01 -1.54 1.82 0.50 0.98 0.00 0.00 173.24 175.02 1k2e h LYS 144 N -0.79 1.20 -0.68 4.02 3.64 -1.98 -2.28 116.57 119.70 1k2e h LYS 144 Ca -0.45 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 58.69 1k2e h LYS 144 Cb 1.28 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 1k2e h LYS 144 CO 0.64 0.91 0.12 1.25 -2.27 0.00 0.00 179.45 180.10 1k2e h LEU 145 N 1.19 1.07 -1.94 5.20 5.85 -1.95 -1.07 115.31 123.66 1k2e h LEU 145 Ca 0.29 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1k2e h LEU 145 Cb 0.09 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 1k2e h LEU 145 CO -0.04 1.06 -0.08 0.00 -0.34 0.00 0.00 178.44 179.03 1k2e h ALA 146 N 1.07 1.72 -0.00 1.25 0.00 -1.88 -2.46 119.26 118.96 1k2e h ALA 146 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1k2e h ALA 146 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1k2e h ALA 146 CO 0.01 0.10 -0.36 0.00 0.00 0.00 0.00 179.25 179.00 1k2e n ALA 147 N -2.46 3.23 -1.77 0.00 0.00 -0.50 -4.87 120.51 114.14 1k2e n ALA 147 Ca -0.03 -0.30 -0.38 0.00 0.00 0.00 0.00 53.44 52.74 1k2e n ALA 147 Cb 0.16 -1.20 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 1k2e n ALA 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k2e s ALA 148 N -2.94 3.24 0.40 0.00 0.00 -0.65 -4.57 121.76 117.24 1k2e s ALA 148 Ca 0.13 0.58 0.02 0.00 0.00 0.00 0.00 51.96 52.69 1k2e s ALA 148 Cb 0.18 -3.20 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 1k2e s ALA 148 CO 0.64 0.13 0.07 1.28 0.00 0.00 0.00 175.76 177.88 1k2e n LEU 149 N 0.73 0.00 0.00 0.00 4.77 -1.26 -5.01 117.00 116.23 1k2e n LEU 149 Ca 0.01 -2.79 0.00 0.00 -0.03 0.00 0.00 56.01 53.20 1k2e n LEU 149 Cb 0.49 0.63 0.00 0.00 -2.33 0.00 0.00 43.42 42.21 1k2e n LEU 149 CO 0.46 -0.41 0.00 1.21 -1.33 0.00 0.00 177.39 177.32