#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1f s ILE 2 N 0.00 4.83 0.23 3.17 1.09 0.03 -4.83 121.20 125.72 3f1f s ILE 2 Ca 0.00 0.83 -0.03 0.00 -1.10 0.00 0.00 60.65 60.36 3f1f s ILE 2 Cb 0.00 -3.73 -0.03 0.00 -1.06 0.00 0.00 42.46 37.65 3f1f s ILE 2 CO 0.00 0.18 0.25 0.00 -0.10 0.00 0.00 174.94 175.26 3f1f s GLN 3 N -2.12 1.38 0.26 2.79 -2.07 -1.26 -0.38 119.66 118.24 3f1f s GLN 3 Ca 0.40 -1.59 -0.30 0.00 -1.82 0.00 0.00 55.36 52.05 3f1f s GLN 3 Cb -0.14 0.33 -0.13 0.00 -1.09 0.00 0.00 33.01 31.97 3f1f s GLN 3 CO 0.20 -0.50 1.32 -0.35 -1.32 0.00 0.00 175.29 174.63 3f1f n PRO 4 N -0.35 1.89 0.00 9.60 -0.04 -1.26 -1.65 135.00 143.19 3f1f n PRO 4 Ca 0.02 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 3f1f n PRO 4 Cb 0.64 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 3f1f n PRO 4 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3f1f n GLN 5 N 1.59 0.00 -2.33 0.54 -0.06 0.31 -4.95 117.38 112.48 3f1f n GLN 5 Ca 0.10 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.69 3f1f n GLN 5 Cb 0.32 -0.32 -0.03 0.00 -4.06 0.00 0.00 30.24 26.14 3f1f n GLN 5 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 3f1f s THR 6 N -2.36 3.58 -0.21 1.69 2.01 -0.66 -4.67 115.64 115.02 3f1f s THR 6 Ca 0.00 1.25 -0.20 0.00 0.31 0.00 0.00 61.69 63.04 3f1f s THR 6 Cb 0.00 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 3f1f s THR 6 CO 0.00 0.16 0.61 -0.31 -0.69 0.00 0.00 174.62 174.39 3f1f s TYR 7 N 0.40 3.35 0.24 4.92 1.51 -1.26 -0.02 117.35 126.49 3f1f s TYR 7 Ca 0.56 0.87 0.02 0.00 -1.01 0.00 0.00 57.07 57.52 3f1f s TYR 7 Cb -0.33 -2.79 -0.03 0.00 -0.11 0.00 0.00 41.96 38.70 3f1f s TYR 7 CO 0.34 -0.20 0.41 -0.51 -1.11 0.00 0.00 175.55 174.48 3f1f s LEU 8 N 2.02 4.22 -0.14 -1.29 2.01 0.11 -4.80 118.68 120.82 3f1f s LEU 8 Ca 0.27 0.27 -0.10 0.00 0.01 0.00 0.00 54.13 54.59 3f1f s LEU 8 Cb -0.16 -3.07 -0.05 0.00 0.01 0.00 0.00 46.19 42.93 3f1f s LEU 8 CO 0.10 -0.10 0.19 -0.70 1.01 0.00 0.00 176.35 176.84 3f1f s GLU 9 N -3.78 3.83 -0.29 1.70 2.56 0.27 -2.75 118.70 120.23 3f1f s GLU 9 Ca 0.37 -0.06 -0.25 0.00 0.00 0.00 0.00 54.97 55.03 3f1f s GLU 9 Cb -0.10 -3.29 0.00 0.00 2.00 0.00 0.00 34.13 32.74 3f1f s GLU 9 CO 0.31 0.55 0.84 0.08 -0.56 0.00 0.00 175.26 176.48 3f1f s VAL 10 N -0.42 4.76 -0.36 3.70 1.01 -0.89 -1.40 120.40 126.81 3f1f s VAL 10 Ca 0.14 1.39 0.02 0.00 0.00 0.00 0.00 61.98 63.53 3f1f s VAL 10 Cb -0.12 -4.18 0.48 0.00 0.00 0.00 0.00 36.38 32.55 3f1f s VAL 10 CO 0.03 -0.23 1.74 0.00 0.00 0.00 0.00 175.10 176.64 3f1f n ALA 11 N 6.24 4.96 -3.84 5.51 0.00 -0.89 -4.89 120.51 127.60 3f1f n ALA 11 Ca 0.06 -2.23 -0.06 0.00 0.00 0.00 0.00 53.44 51.20 3f1f n ALA 11 Cb 0.48 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 3f1f n ALA 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3f1f s ASP 12 N -0.74 -0.24 0.00 0.00 3.84 -1.26 -1.03 116.67 117.24 3f1f s ASP 12 Ca 0.43 -0.57 0.00 0.00 -0.00 0.00 0.00 52.55 52.41 3f1f s ASP 12 Cb 0.36 0.68 0.00 0.00 -1.38 0.00 0.00 42.92 42.59 3f1f s ASP 12 CO 0.07 -1.26 0.48 -0.46 -0.00 0.00 0.00 175.17 173.99 3f1f n ASN 13 N -0.47 1.11 -0.28 2.11 0.23 -1.24 -4.01 115.26 112.71 3f1f n ASN 13 Ca -0.04 -1.58 0.34 0.00 -0.53 0.00 0.00 54.58 52.76 3f1f n ASN 13 Cb 0.59 -0.40 0.71 0.00 -2.08 0.00 0.00 39.78 38.60 3f1f n ASN 13 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3f1f h THR 14 N 0.04 0.27 0.00 5.53 2.02 -1.91 -3.44 112.91 115.42 3f1f h THR 14 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3f1f h THR 14 Cb 0.48 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3f1f h THR 14 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 3f1f n GLY 15 N -1.73 2.18 3.76 2.16 0.00 -1.26 -3.12 105.19 107.18 3f1f n GLY 15 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 3f1f n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f1f s ALA 16 N -2.21 3.36 -0.20 4.61 0.00 -1.26 0.23 121.76 126.29 3f1f s ALA 16 Ca 0.00 0.53 0.16 0.00 0.00 0.00 0.00 51.96 52.65 3f1f s ALA 16 Cb 0.00 -3.14 -0.24 0.00 0.00 0.00 0.00 23.12 19.74 3f1f s ALA 16 CO 0.00 0.21 0.07 0.54 0.00 0.00 0.00 175.76 176.57 3f1f n ARG 17 N 1.68 0.68 -3.78 0.00 5.12 -0.32 -4.62 116.66 115.43 3f1f n ARG 17 Ca -0.03 0.02 -0.13 0.00 -1.93 0.00 0.00 57.85 55.79 3f1f n ARG 17 Cb 0.48 -1.53 -0.11 0.00 -1.16 0.00 0.00 32.46 30.13 3f1f n ARG 17 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3f1f s LYS 18 N -2.50 0.34 0.01 5.56 1.02 -1.00 -2.08 119.74 121.08 3f1f s LYS 18 Ca -0.12 0.39 0.02 0.00 0.02 0.00 0.00 55.97 56.28 3f1f s LYS 18 Cb 0.06 0.16 -0.01 0.00 -0.52 0.00 0.00 37.83 37.53 3f1f s LYS 18 CO 0.81 -0.04 -0.06 0.96 -0.92 0.00 0.00 175.35 176.09 3f1f s ILE 19 N 0.14 0.48 0.01 2.17 -0.00 -1.11 -1.39 121.20 121.49 3f1f s ILE 19 Ca -0.00 -0.45 -0.11 0.00 -0.00 0.00 0.00 60.65 60.09 3f1f s ILE 19 Cb -0.02 -0.44 -0.05 0.00 -0.00 0.00 0.00 42.46 41.95 3f1f s ILE 19 CO 0.00 0.00 0.34 -0.32 -0.00 0.00 0.00 174.94 174.97 3f1f s MET 20 N -0.50 3.74 0.16 0.37 -2.45 -0.37 0.08 119.30 120.32 3f1f s MET 20 Ca -0.01 0.17 -0.30 0.00 -1.25 0.00 0.00 55.69 54.30 3f1f s MET 20 Cb -0.04 -3.12 -0.08 0.00 1.25 0.00 0.00 34.83 32.84 3f1f s MET 20 CO -0.00 0.66 1.25 0.00 1.05 0.00 0.00 175.02 177.97 3f1f n ILE 22 N 2.96 1.42 -3.79 0.00 2.08 0.15 -0.53 119.36 121.66 3f1f n ILE 22 Ca 0.06 -0.33 -0.13 0.00 0.56 0.00 0.00 62.75 62.91 3f1f n ILE 22 Cb 0.44 -1.88 -0.12 0.00 -0.75 0.00 0.00 39.64 37.33 3f1f n ILE 22 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 3f1f s ARG 23 N -2.49 0.23 -0.30 0.38 6.06 -1.04 -4.67 118.95 117.11 3f1f s ARG 23 Ca -0.36 0.32 -0.23 0.00 -2.50 0.00 0.00 55.73 52.96 3f1f s ARG 23 Cb 0.13 0.07 -0.00 0.00 0.06 0.00 0.00 34.95 35.21 3f1f s ARG 23 CO 0.45 -0.05 0.78 0.54 -2.50 0.00 0.00 175.30 174.52 3f1f s VAL 24 N 0.31 4.80 -0.20 7.11 0.11 -1.26 -1.37 120.40 129.89 3f1f s VAL 24 Ca -0.02 1.18 0.01 0.00 -2.93 0.00 0.00 61.98 60.22 3f1f s VAL 24 Cb -0.03 -4.14 0.23 0.00 -1.53 0.00 0.00 36.38 30.91 3f1f s VAL 24 CO -0.01 -0.24 1.57 0.18 -3.33 0.00 0.00 175.10 173.27 3f1f n LEU 25 N 6.19 5.05 0.00 2.54 4.77 -0.66 -4.69 117.00 130.19 3f1f n LEU 25 Ca 0.04 -2.59 0.00 0.00 -0.03 0.00 0.00 56.01 53.43 3f1f n LEU 25 Cb 0.48 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3f1f n LEU 25 CO 0.50 0.87 0.00 0.29 -1.33 0.00 0.00 177.39 177.72 3f1f n LYS 26 N 0.09 0.18 0.00 3.23 5.02 -1.26 -4.83 118.16 120.59 3f1f n LYS 26 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 3f1f n LYS 26 Cb 0.83 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.84 3f1f n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3f1f n GLY 27 N 5.00 -3.50 0.00 0.72 0.00 -1.26 -4.85 105.19 101.30 3f1f n GLY 27 Ca 0.00 -1.18 0.13 0.00 0.00 0.00 0.00 46.02 44.97 3f1f n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3f1f n SER 28 N -1.11 0.00 -1.95 1.61 3.41 -1.26 -4.23 113.62 110.10 3f1f n SER 28 Ca 0.00 -0.71 -0.01 0.00 -0.26 0.00 0.00 58.87 57.88 3f1f n SER 28 Cb 0.00 -0.04 0.01 0.00 -0.26 0.00 0.00 64.21 63.91 3f1f n SER 28 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3f1f n ASN 29 N -1.04 -0.47 -4.73 4.04 0.23 -1.26 -5.14 115.26 106.89 3f1f n ASN 29 Ca 0.19 -1.30 -0.42 0.00 -0.53 0.00 0.00 54.58 52.52 3f1f n ASN 29 Cb 0.11 0.36 -0.03 0.00 -2.08 0.00 0.00 39.78 38.14 3f1f n ASN 29 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3f1f s ALA 30 N 0.02 3.59 0.07 -2.53 0.00 -1.26 -4.94 121.76 116.70 3f1f s ALA 30 Ca 0.02 1.16 -0.28 0.00 0.00 0.00 0.00 51.96 52.85 3f1f s ALA 30 Cb 0.06 -3.53 -0.17 0.00 0.00 0.00 0.00 23.12 19.48 3f1f s ALA 30 CO -0.02 -0.61 1.61 0.87 0.00 0.00 0.00 175.76 177.61 3f1f h LYS 31 N 6.10 -0.48 -4.85 0.00 6.56 -1.96 -3.46 116.57 118.48 3f1f h LYS 31 Ca -0.43 0.03 -0.42 0.00 -1.06 0.00 0.00 60.65 58.77 3f1f h LYS 31 Cb 1.21 0.11 -0.14 0.00 -0.57 0.00 0.00 32.23 32.84 3f1f h LYS 31 CO 0.83 -0.29 -0.53 0.71 -2.06 0.00 0.00 179.45 178.11 3f1f s TYR 32 N -5.89 1.61 -0.03 -1.35 1.51 -1.26 -4.71 117.35 107.22 3f1f s TYR 32 Ca -0.15 -1.52 -0.02 0.00 -1.01 0.00 0.00 57.07 54.37 3f1f s TYR 32 Cb 0.04 -0.75 0.02 0.00 -0.11 0.00 0.00 41.96 41.16 3f1f s TYR 32 CO 0.63 -0.70 0.07 0.00 -1.11 0.00 0.00 175.55 174.43 3f1f s ALA 33 N -3.60 -0.10 0.00 3.71 0.00 0.48 -4.94 121.76 117.32 3f1f s ALA 33 Ca 0.38 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.71 3f1f s ALA 33 Cb 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.90 3f1f s ALA 33 CO 0.21 -0.09 0.00 -2.37 0.00 0.00 0.00 175.76 173.51 3f1f n THR 34 N 3.80 0.00 -1.52 0.00 5.66 -1.26 -0.79 114.28 120.17 3f1f n THR 34 Ca -0.22 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.34 3f1f n THR 34 Cb 0.54 -0.67 -0.01 0.00 -1.55 0.00 0.00 70.33 68.65 3f1f n THR 34 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 3f1f n VAL 35 N -0.58 1.98 0.00 1.08 0.24 -1.26 -1.77 118.33 118.02 3f1f n VAL 35 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 3f1f n VAL 35 Cb 0.00 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 31.65 3f1f n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3f1f n GLY 36 N 1.51 2.60 3.86 7.63 0.00 -0.03 -4.91 105.19 115.85 3f1f n GLY 36 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3f1f n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f1f s ASP 37 N -2.30 6.63 0.09 1.61 1.01 -0.73 -4.83 116.67 118.15 3f1f s ASP 37 Ca 0.00 1.34 0.03 0.00 0.71 0.00 0.00 52.55 54.62 3f1f s ASP 37 Cb 0.00 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 3f1f s ASP 37 CO 0.00 -0.42 0.12 0.68 0.21 0.00 0.00 175.17 175.76 3f1f s VAL 38 N -2.37 4.74 -0.00 -1.27 -7.23 -1.26 -1.18 120.40 111.83 3f1f s VAL 38 Ca 0.55 -0.72 -0.08 0.00 -1.81 0.00 0.00 61.98 59.92 3f1f s VAL 38 Cb -0.10 -3.32 0.01 0.00 0.56 0.00 0.00 36.38 33.53 3f1f s VAL 38 CO 0.27 0.09 0.16 0.27 -0.31 0.00 0.00 175.10 175.59 3f1f s ILE 39 N -1.47 0.08 0.23 -0.62 -4.36 -0.07 -1.66 121.20 113.32 3f1f s ILE 39 Ca 0.31 -0.62 -0.22 0.00 -0.26 0.00 0.00 60.65 59.85 3f1f s ILE 39 Cb -0.12 -0.45 -0.09 0.00 1.25 0.00 0.00 42.46 43.06 3f1f s ILE 39 CO 0.24 -0.34 0.78 -0.69 0.24 0.00 0.00 174.94 175.17 3f1f s VAL 40 N -1.30 4.44 0.14 8.37 1.01 -0.47 -0.84 120.40 131.76 3f1f s VAL 40 Ca -0.14 1.50 -0.18 0.00 0.00 0.00 0.00 61.98 63.16 3f1f s VAL 40 Cb -0.07 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.40 3f1f s VAL 40 CO 0.02 0.27 0.47 0.00 0.00 0.00 0.00 175.10 175.86 3f1f s ALA 41 N -1.46 -1.11 -0.12 5.51 0.00 0.15 0.34 121.76 125.07 3f1f s ALA 41 Ca 0.43 0.07 -0.01 0.00 0.00 0.00 0.00 51.96 52.45 3f1f s ALA 41 Cb -0.19 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.68 3f1f s ALA 41 CO 0.23 -0.70 -0.06 0.45 0.00 0.00 0.00 175.76 175.67 3f1f s SER 42 N -2.80 4.61 -0.55 0.00 0.15 0.08 -0.41 113.70 114.77 3f1f s SER 42 Ca 0.03 -0.13 -0.27 0.00 0.70 0.00 0.00 55.95 56.28 3f1f s SER 42 Cb 0.01 -1.54 -0.01 0.00 -1.71 0.00 0.00 66.02 62.77 3f1f s SER 42 CO -0.11 0.24 1.68 -0.69 1.20 0.00 0.00 173.24 175.56 3f1f s VAL 43 N -0.05 3.53 -0.46 4.45 1.01 -0.72 -1.24 120.40 126.92 3f1f s VAL 43 Ca 0.00 0.41 0.24 0.00 0.00 0.00 0.00 61.98 62.63 3f1f s VAL 43 Cb -0.13 -4.09 0.12 0.00 0.00 0.00 0.00 36.38 32.28 3f1f s VAL 43 CO 0.03 -0.95 1.34 0.11 0.00 0.00 0.00 175.10 175.63 3f1f h LYS 44 N 13.15 0.00 -1.84 2.72 1.79 -1.58 0.82 116.57 131.63 3f1f h LYS 44 Ca -0.28 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.19 3f1f h LYS 44 Cb 1.14 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.58 3f1f h LYS 44 CO 1.17 0.00 0.31 -1.83 -1.08 0.00 0.00 179.45 178.03 3f1f s GLU 45 N -3.24 0.85 0.04 3.15 -1.05 -1.10 -4.93 118.70 112.43 3f1f s GLU 45 Ca 0.04 0.34 -0.25 0.00 -0.15 0.00 0.00 54.97 54.95 3f1f s GLU 45 Cb 0.10 0.40 0.06 0.00 -0.44 0.00 0.00 34.13 34.25 3f1f s GLU 45 CO 0.72 -0.24 0.59 0.00 0.95 0.00 0.00 175.26 177.29 3f1f s ALA 46 N -0.86 -1.54 0.47 -0.84 0.00 -1.26 -1.17 121.76 116.55 3f1f s ALA 46 Ca -0.06 0.80 -0.24 0.00 0.00 0.00 0.00 51.96 52.47 3f1f s ALA 46 Cb -0.01 0.39 -0.07 0.00 0.00 0.00 0.00 23.12 23.43 3f1f s ALA 46 CO 0.05 -0.53 1.30 0.42 0.00 0.00 0.00 175.76 177.00 3f1f s ILE 47 N -2.37 2.53 0.38 0.00 1.09 0.14 -4.87 121.20 118.09 3f1f s ILE 47 Ca -0.06 0.43 -0.24 0.00 -1.10 0.00 0.00 60.65 59.68 3f1f s ILE 47 Cb -0.01 -3.23 -0.13 0.00 -1.06 0.00 0.00 42.46 38.04 3f1f s ILE 47 CO -0.01 0.03 0.78 -2.65 -0.10 0.00 0.00 174.94 172.99 3f1f n PRO 48 N -0.41 0.91 -3.89 2.79 -0.02 -1.26 -2.78 135.00 130.35 3f1f n PRO 48 Ca 0.07 0.33 -0.30 0.00 -2.02 0.00 0.00 63.50 61.57 3f1f n PRO 48 Cb 0.45 -1.70 -0.06 0.00 -0.02 0.00 0.00 33.50 32.17 3f1f n PRO 48 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3f1f n ARG 49 N 0.50 -1.28 -1.88 -0.52 1.85 -1.26 -4.91 116.66 109.16 3f1f n ARG 49 Ca 0.11 0.10 -0.29 0.00 -1.00 0.00 0.00 57.85 56.77 3f1f n ARG 49 Cb 0.37 -4.42 0.09 0.00 -1.05 0.00 0.00 32.46 27.45 3f1f n ARG 49 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3f1f s GLY 50 N -2.82 1.59 0.28 2.89 0.00 -1.12 -4.94 107.32 103.21 3f1f s GLY 50 Ca 0.59 -0.65 0.22 0.00 0.00 0.00 0.00 44.72 44.89 3f1f s GLY 50 CO 0.73 -0.15 1.68 0.00 0.00 0.00 0.00 173.10 175.36 3f1f n ALA 51 N -3.35 1.38 -2.92 3.20 0.00 -1.18 -4.65 120.51 112.99 3f1f n ALA 51 Ca 0.08 0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.54 3f1f n ALA 51 Cb 0.61 -1.35 -0.13 0.00 0.00 0.00 0.00 19.45 18.58 3f1f n ALA 51 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3f1f s VAL 52 N -3.42 0.03 0.30 0.00 1.01 -1.20 -5.05 120.40 112.07 3f1f s VAL 52 Ca 0.01 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 61.78 3f1f s VAL 52 Cb 0.08 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.32 3f1f s VAL 52 CO 0.30 -0.16 0.24 -0.54 0.00 0.00 0.00 175.10 174.95 3f1f s LYS 53 N -0.46 2.78 0.58 2.72 3.01 -1.26 -4.56 119.74 122.56 3f1f s LYS 53 Ca -0.05 -1.21 -0.20 0.00 -1.01 0.00 0.00 55.97 53.50 3f1f s LYS 53 Cb -0.03 -2.49 -0.04 0.00 -1.01 0.00 0.00 37.83 34.25 3f1f s LYS 53 CO -0.00 0.23 1.22 0.39 0.51 0.00 0.00 175.35 177.69 3f1f n GLU 54 N -1.27 1.31 0.00 1.68 1.02 -1.26 -2.00 120.64 120.11 3f1f n GLU 54 Ca -0.04 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 3f1f n GLU 54 Cb 0.59 -2.42 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 3f1f n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3f1f n GLY 55 N 0.97 2.91 3.67 0.62 0.00 0.28 -4.94 105.19 108.70 3f1f n GLY 55 Ca 0.13 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.67 3f1f n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f1f n ASP 56 N 0.00 3.13 -4.68 1.61 10.43 -0.85 -4.70 116.55 121.48 3f1f n ASP 56 Ca 0.00 1.04 -0.40 0.00 2.57 0.00 0.00 54.79 58.00 3f1f n ASP 56 Cb 0.00 -1.38 -0.06 0.00 1.84 0.00 0.00 41.12 41.52 3f1f n ASP 56 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3f1f s VAL 57 N 2.23 5.04 0.11 2.53 1.01 -1.26 -1.76 120.40 128.29 3f1f s VAL 57 Ca 0.85 1.23 -0.04 0.00 0.00 0.00 0.00 61.98 64.02 3f1f s VAL 57 Cb -0.71 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 31.68 3f1f s VAL 57 CO 0.45 0.16 0.11 0.68 0.00 0.00 0.00 175.10 176.49 3f1f s VAL 58 N 1.56 0.13 0.04 2.92 -7.23 0.45 -4.97 120.40 113.30 3f1f s VAL 58 Ca 0.31 -1.63 0.01 0.00 -1.81 0.00 0.00 61.98 58.85 3f1f s VAL 58 Cb -0.16 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 3f1f s VAL 58 CO 0.12 -0.60 0.12 -0.54 -0.31 0.00 0.00 175.10 173.89 3f1f s LYS 59 N -3.96 3.13 0.34 4.82 1.02 -1.26 0.32 119.74 124.15 3f1f s LYS 59 Ca 0.14 -0.53 -0.05 0.00 0.02 0.00 0.00 55.97 55.56 3f1f s LYS 59 Cb 0.06 -2.88 0.02 0.00 -0.52 0.00 0.00 37.83 34.51 3f1f s LYS 59 CO -0.04 0.61 0.54 0.00 -0.92 0.00 0.00 175.35 175.54 3f1f n ALA 60 N 0.69 -0.69 -3.73 5.17 0.00 -0.02 -0.75 120.51 121.18 3f1f n ALA 60 Ca -0.09 -1.42 -0.17 0.00 0.00 0.00 0.00 53.44 51.75 3f1f n ALA 60 Cb 0.52 1.14 -0.17 0.00 0.00 0.00 0.00 19.45 20.94 3f1f n ALA 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3f1f s VAL 61 N -2.62 0.00 0.14 0.00 0.11 -0.95 -0.90 120.40 116.19 3f1f s VAL 61 Ca 0.24 0.25 -0.31 0.00 -2.93 0.00 0.00 61.98 59.22 3f1f s VAL 61 Cb -0.02 -0.17 -0.10 0.00 -1.53 0.00 0.00 36.38 34.57 3f1f s VAL 61 CO 0.17 0.14 1.61 -0.69 -3.33 0.00 0.00 175.10 173.00 3f1f s VAL 62 N 1.45 2.73 0.00 2.04 1.01 -0.33 -2.10 120.40 125.20 3f1f s VAL 62 Ca -0.04 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.37 3f1f s VAL 62 Cb -0.13 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.98 3f1f s VAL 62 CO -0.03 0.02 0.00 1.33 0.00 0.00 0.00 175.10 176.42 3f1f n VAL 63 N 4.23 0.00 -3.77 2.92 0.24 -0.12 -0.85 118.33 120.97 3f1f n VAL 63 Ca 0.15 -0.12 -0.13 0.00 -2.04 0.00 0.00 64.34 62.20 3f1f n VAL 63 Cb 0.39 0.57 -0.10 0.00 -1.47 0.00 0.00 33.84 33.23 3f1f n VAL 63 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3f1f s ARG 64 N -1.32 0.45 -0.03 7.34 0.52 -1.11 -2.70 118.95 122.10 3f1f s ARG 64 Ca 0.00 0.21 -0.11 0.00 -0.52 0.00 0.00 55.73 55.31 3f1f s ARG 64 Cb 0.00 0.21 0.02 0.00 0.52 0.00 0.00 34.95 35.70 3f1f s ARG 64 CO 0.00 -0.08 0.25 -0.08 0.02 0.00 0.00 175.30 175.41 3f1f s THR 65 N -0.33 0.05 0.14 0.02 -1.32 -1.14 -0.80 115.64 112.26 3f1f s THR 65 Ca -0.04 -0.40 -0.02 0.00 -1.21 0.00 0.00 61.69 60.02 3f1f s THR 65 Cb -0.03 -0.50 -0.17 0.00 -1.51 0.00 0.00 72.50 70.28 3f1f s THR 65 CO 0.01 -0.22 1.33 0.11 -2.21 0.00 0.00 174.62 173.64 3f1f h LYS 66 N 4.50 0.33 -6.42 7.08 1.79 -1.68 -1.73 116.57 120.44 3f1f h LYS 66 Ca -0.29 -0.36 -0.54 0.00 -2.18 0.00 0.00 60.65 57.28 3f1f h LYS 66 Cb 1.19 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.92 3f1f h LYS 66 CO 0.38 1.05 0.43 0.21 -1.08 0.00 0.00 179.45 180.45 3f1f s LYS 67 N -3.24 4.52 0.41 3.15 2.47 -1.26 -4.69 119.74 121.10 3f1f s LYS 67 Ca -0.05 1.51 -0.26 0.00 -1.56 0.00 0.00 55.97 55.62 3f1f s LYS 67 Cb 0.09 -3.44 -0.08 0.00 -1.46 0.00 0.00 37.83 32.94 3f1f s LYS 67 CO 0.85 -0.12 1.29 -1.83 0.16 0.00 0.00 175.35 175.70 3f1f s GLU 68 N 1.09 3.94 -0.12 4.03 1.03 -1.26 -4.58 118.70 122.83 3f1f s GLU 68 Ca 0.54 2.11 -0.05 0.00 0.03 0.00 0.00 54.97 57.59 3f1f s GLU 68 Cb -0.23 -2.72 -0.04 0.00 -0.80 0.00 0.00 34.13 30.34 3f1f s GLU 68 CO 0.28 -0.50 0.09 0.08 -1.33 0.00 0.00 175.26 173.87 3f1f s VAL 69 N -1.29 5.03 -0.26 1.83 1.01 -0.10 -4.91 120.40 121.71 3f1f s VAL 69 Ca 0.58 0.03 -0.15 0.00 0.00 0.00 0.00 61.98 62.44 3f1f s VAL 69 Cb -0.37 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3f1f s VAL 69 CO 0.47 0.59 0.37 -0.54 0.00 0.00 0.00 175.10 175.99 3f1f s LYS 70 N -0.76 4.04 0.34 2.72 1.02 -1.26 -2.42 119.74 123.41 3f1f s LYS 70 Ca 0.13 0.04 -0.26 0.00 0.02 0.00 0.00 55.97 55.90 3f1f s LYS 70 Cb -0.12 -3.64 -0.09 0.00 -0.52 0.00 0.00 37.83 33.46 3f1f s LYS 70 CO 0.03 -0.23 1.01 1.03 -0.92 0.00 0.00 175.35 176.27 3f1f s ARG 71 N 1.93 4.44 0.45 1.68 1.81 0.33 -4.92 118.95 124.67 3f1f s ARG 71 Ca 0.15 1.49 0.28 0.00 -1.72 0.00 0.00 55.73 55.93 3f1f s ARG 71 Cb -0.16 -2.79 1.52 0.00 -0.45 0.00 0.00 34.95 33.07 3f1f s ARG 71 CO 0.09 0.11 1.84 -1.00 -0.68 0.00 0.00 175.30 175.67 3f1f h PRO 72 N 3.06 0.00 -0.46 3.54 0.13 -1.98 -0.00 132.00 136.29 3f1f h PRO 72 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3f1f h PRO 72 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3f1f h PRO 72 CO 0.64 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.01 3f1f n ASP 73 N -2.52 2.31 0.00 1.44 5.68 -1.26 -4.88 116.55 117.32 3f1f n ASP 73 Ca -0.02 -2.09 0.00 0.00 -0.50 0.00 0.00 54.79 52.18 3f1f n ASP 73 Cb 0.11 -0.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 3f1f n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3f1f n GLY 74 N 0.97 2.56 3.82 6.12 0.00 -0.02 -5.04 105.19 113.60 3f1f n GLY 74 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3f1f n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f1f s SER 75 N -1.57 5.20 0.28 1.61 1.04 -1.24 -4.84 113.70 114.18 3f1f s SER 75 Ca 0.00 1.49 0.03 0.00 0.48 0.00 0.00 55.95 57.95 3f1f s SER 75 Cb 0.00 -2.34 -0.04 0.00 0.10 0.00 0.00 66.02 63.74 3f1f s SER 75 CO 0.00 -1.54 0.15 0.00 0.98 0.00 0.00 173.24 172.83 3f1f s ALA 76 N -3.10 1.80 -0.28 5.32 0.00 -1.26 -0.51 121.76 123.72 3f1f s ALA 76 Ca 0.59 -1.78 -0.25 0.00 0.00 0.00 0.00 51.96 50.51 3f1f s ALA 76 Cb -0.14 1.20 0.12 0.00 0.00 0.00 0.00 23.12 24.30 3f1f s ALA 76 CO 0.55 -0.52 0.99 -1.50 0.00 0.00 0.00 175.76 175.28 3f1f s ILE 77 N -3.70 0.00 0.03 0.00 -1.16 -1.02 -4.95 121.20 110.41 3f1f s ILE 77 Ca 0.37 0.00 -0.11 0.00 -0.51 0.00 0.00 60.65 60.40 3f1f s ILE 77 Cb 0.05 -1.00 0.01 0.00 0.61 0.00 0.00 42.46 42.14 3f1f s ILE 77 CO 0.17 0.00 0.24 0.00 -2.81 0.00 0.00 174.94 172.53 3f1f s ARG 78 N 0.29 0.72 0.37 3.50 1.70 -1.26 -0.92 118.95 123.34 3f1f s ARG 78 Ca 0.02 -0.55 0.08 0.00 -0.47 0.00 0.00 55.73 54.82 3f1f s ARG 78 Cb -0.05 0.30 -0.05 0.00 -0.57 0.00 0.00 34.95 34.58 3f1f s ARG 78 CO -0.06 -0.21 0.10 -0.06 -1.08 0.00 0.00 175.30 173.99 3f1f s PHE 79 N -2.41 2.61 -1.40 5.89 0.40 -0.65 -5.01 117.98 117.40 3f1f s PHE 79 Ca -0.06 -0.48 0.28 0.00 -0.60 0.00 0.00 56.93 56.07 3f1f s PHE 79 Cb -0.02 -1.69 1.38 0.00 0.51 0.00 0.00 43.02 43.21 3f1f s PHE 79 CO -0.03 0.35 1.94 -0.25 0.70 0.00 0.00 175.22 177.93 3f1f n ASP 80 N -1.10 0.00 -3.88 1.36 8.00 -1.26 -3.91 116.55 115.76 3f1f n ASP 80 Ca -0.03 -0.07 -0.09 0.00 0.71 0.00 0.00 54.79 55.30 3f1f n ASP 80 Cb 0.63 -0.30 -0.06 0.00 -0.02 0.00 0.00 41.12 41.37 3f1f n ASP 80 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 3f1f s ASP 81 N -2.60 -0.03 -0.26 -2.24 -4.77 -1.26 -4.93 116.67 100.59 3f1f s ASP 81 Ca 0.25 -0.72 -0.11 0.00 -3.30 0.00 0.00 52.55 48.68 3f1f s ASP 81 Cb 0.18 0.45 -0.05 0.00 -1.09 0.00 0.00 42.92 42.42 3f1f s ASP 81 CO 0.43 -0.90 0.17 0.20 0.70 0.00 0.00 175.17 175.77 3f1f s ASN 82 N -2.92 6.03 0.08 2.11 -0.87 -1.26 -2.87 114.94 115.25 3f1f s ASN 82 Ca 0.13 0.04 0.03 0.00 -1.57 0.00 0.00 52.86 51.48 3f1f s ASN 82 Cb 0.03 -2.11 -0.03 0.00 -0.02 0.00 0.00 41.25 39.12 3f1f s ASN 82 CO -0.03 0.00 -0.09 0.00 -2.57 0.00 0.00 177.10 174.42 3f1f s ALA 83 N 1.42 0.95 0.06 0.60 0.00 0.02 0.94 121.76 125.75 3f1f s ALA 83 Ca 0.07 -1.13 -0.24 0.00 0.00 0.00 0.00 51.96 50.67 3f1f s ALA 83 Cb -0.15 0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.09 3f1f s ALA 83 CO 0.08 -0.08 0.56 0.00 0.00 0.00 0.00 175.76 176.32 3f1f s ALA 84 N -2.47 -1.46 -0.21 0.00 0.00 -0.49 -0.95 121.76 116.19 3f1f s ALA 84 Ca 0.03 0.67 -0.04 0.00 0.00 0.00 0.00 51.96 52.62 3f1f s ALA 84 Cb -0.03 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 3f1f s ALA 84 CO -0.01 -0.56 -0.02 0.08 0.00 0.00 0.00 175.76 175.25 3f1f s VAL 85 N -2.62 3.66 0.32 0.00 1.01 -0.89 -2.09 120.40 119.78 3f1f s VAL 85 Ca -0.04 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 3f1f s VAL 85 Cb -0.01 -2.66 -0.10 0.00 0.00 0.00 0.00 36.38 33.62 3f1f s VAL 85 CO -0.03 0.43 1.29 -0.63 0.00 0.00 0.00 175.10 176.16 3f1f s ILE 86 N 1.18 2.82 0.22 2.22 1.09 -1.26 -2.23 121.20 125.24 3f1f s ILE 86 Ca 0.03 0.81 0.05 0.00 -1.10 0.00 0.00 60.65 60.44 3f1f s ILE 86 Cb -0.14 -3.52 -0.05 0.00 -1.06 0.00 0.00 42.46 37.69 3f1f s ILE 86 CO 0.00 0.19 -0.06 0.27 -0.10 0.00 0.00 174.94 175.24 3f1f s ILE 87 N -1.04 1.31 0.79 2.92 -4.36 0.07 -2.14 121.20 118.75 3f1f s ILE 87 Ca 0.49 -2.09 -0.12 0.00 -0.26 0.00 0.00 60.65 58.68 3f1f s ILE 87 Cb -0.39 -2.22 0.07 0.00 1.25 0.00 0.00 42.46 41.17 3f1f s ILE 87 CO 0.51 -0.45 1.13 0.21 0.24 0.00 0.00 174.94 176.58 3f1f s ASN 88 N -3.31 4.04 0.34 4.36 2.47 0.77 -4.47 114.94 119.13 3f1f s ASN 88 Ca 0.25 2.05 0.27 0.00 0.42 0.00 0.00 52.86 55.85 3f1f s ASN 88 Cb 0.04 -2.55 1.05 0.00 -1.45 0.00 0.00 41.25 38.34 3f1f s ASN 88 CO 0.07 -2.35 1.79 -1.13 -3.72 0.00 0.00 177.10 171.76 3f1f h ASN 89 N -1.06 0.00 0.23 -4.21 -0.73 -1.96 0.21 115.58 108.06 3f1f h ASN 89 Ca -0.45 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.72 3f1f h ASN 89 Cb 1.26 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.85 3f1f h ASN 89 CO 0.48 0.00 0.00 0.00 -0.37 0.00 0.00 177.43 177.54 3f1f n GLN 90 N -2.51 0.74 -2.28 6.67 3.00 -1.26 -4.90 117.38 116.83 3f1f n GLN 90 Ca 0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.91 3f1f n GLN 90 Cb 0.28 -1.50 -0.00 0.00 0.00 0.00 0.00 30.24 29.02 3f1f n GLN 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3f1f n LEU 91 N -1.12 -1.59 -4.62 1.08 7.99 0.73 -5.04 117.00 114.43 3f1f n LEU 91 Ca 0.19 -0.03 -0.34 0.00 -0.01 0.00 0.00 56.01 55.82 3f1f n LEU 91 Cb 0.16 -1.75 -0.10 0.00 -0.11 0.00 0.00 43.42 41.62 3f1f n LEU 91 CO 0.19 -0.07 -0.36 -1.61 -1.51 0.00 0.00 177.39 174.03 3f1f s GLU 92 N -4.63 2.76 0.01 3.23 2.02 -1.25 -4.81 118.70 116.02 3f1f s GLU 92 Ca 0.03 -0.56 -0.30 0.00 0.02 0.00 0.00 54.97 54.16 3f1f s GLU 92 Cb -0.01 -2.62 -0.08 0.00 0.10 0.00 0.00 34.13 31.52 3f1f s GLU 92 CO 0.03 0.66 1.91 -1.25 0.02 0.00 0.00 175.26 176.63 3f1f s PRO 93 N -1.02 4.11 0.00 0.39 0.04 -1.26 0.27 135.00 137.53 3f1f s PRO 93 Ca 0.14 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.68 3f1f s PRO 93 Cb -0.11 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.29 3f1f s PRO 93 CO 0.04 -0.98 0.59 0.54 0.04 0.00 0.00 177.00 177.23 3f1f n ARG 94 N 7.51 0.00 -1.32 4.56 1.74 -0.91 -4.66 116.66 123.58 3f1f n ARG 94 Ca 0.20 0.19 -0.35 0.00 -0.77 0.00 0.00 57.85 57.11 3f1f n ARG 94 Cb 0.42 -1.09 0.09 0.00 -1.02 0.00 0.00 32.46 30.86 3f1f n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3f1f n GLY 95 N -0.67 -0.51 0.00 -0.13 0.00 -1.26 -5.02 105.19 97.59 3f1f n GLY 95 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3f1f n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3f1f n THR 96 N -2.59 0.00 -1.23 2.61 -2.24 -1.26 -4.87 114.28 104.70 3f1f n THR 96 Ca 0.13 0.00 -0.48 0.00 -2.27 0.00 0.00 64.05 61.43 3f1f n THR 96 Cb 0.50 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 3f1f n THR 96 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3f1f n ARG 97 N 0.00 0.00 -3.61 -0.78 0.63 -1.26 -4.69 116.66 106.95 3f1f n ARG 97 Ca 0.00 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.68 3f1f n ARG 97 Cb 0.00 -1.07 -0.02 0.00 0.45 0.00 0.00 32.46 31.82 3f1f n ARG 97 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3f1f s VAL 98 N 1.95 5.17 0.05 5.15 -7.23 -1.25 -3.66 120.40 120.57 3f1f s VAL 98 Ca 0.74 -0.50 0.01 0.00 -1.81 0.00 0.00 61.98 60.43 3f1f s VAL 98 Cb -1.05 -3.81 -0.03 0.00 0.56 0.00 0.00 36.38 32.05 3f1f s VAL 98 CO 0.57 -0.35 -0.06 0.72 -0.31 0.00 0.00 175.10 175.66 3f1f s PHE 99 N -2.07 0.63 0.00 2.82 -0.71 -0.19 -4.49 117.98 113.97 3f1f s PHE 99 Ca 0.38 -0.68 0.00 0.00 -1.04 0.00 0.00 56.93 55.59 3f1f s PHE 99 Cb -0.10 -0.39 0.00 0.00 -1.21 0.00 0.00 43.02 41.32 3f1f s PHE 99 CO 0.32 -0.16 0.00 0.41 -1.34 0.00 0.00 175.22 174.45 3f1f n GLY 100 N 0.95 0.81 3.40 1.99 0.00 -1.26 -4.69 105.19 106.38 3f1f n GLY 100 Ca -0.19 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 3f1f n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3f1f n PRO 101 N 1.14 -1.93 -3.99 1.61 -0.02 -1.26 -4.58 135.00 125.98 3f1f n PRO 101 Ca 0.00 -0.54 -0.08 0.00 -2.02 0.00 0.00 63.50 60.86 3f1f n PRO 101 Cb 0.00 -1.97 -0.09 0.00 -0.02 0.00 0.00 33.50 31.42 3f1f n PRO 101 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3f1f s VAL 102 N -2.34 0.18 0.34 -1.45 -7.23 -1.00 -4.82 120.40 104.08 3f1f s VAL 102 Ca 0.63 -1.51 -0.25 0.00 -1.81 0.00 0.00 61.98 59.03 3f1f s VAL 102 Cb -0.20 -1.40 -0.10 0.00 0.56 0.00 0.00 36.38 35.24 3f1f s VAL 102 CO 0.65 -0.83 0.95 0.00 -0.31 0.00 0.00 175.10 175.56 3f1f s ALA 103 N -3.81 3.19 0.39 1.32 0.00 -1.10 -2.35 121.76 119.41 3f1f s ALA 103 Ca 0.05 0.52 0.39 0.00 0.00 0.00 0.00 51.96 52.92 3f1f s ALA 103 Cb 0.06 -3.18 1.97 0.00 0.00 0.00 0.00 23.12 21.96 3f1f s ALA 103 CO -0.10 0.16 2.18 0.00 0.00 0.00 0.00 175.76 178.00 3f1f h ARG 104 N 3.02 0.00 -0.04 0.00 3.08 -1.71 -2.21 114.38 116.53 3f1f h ARG 104 Ca -0.47 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.59 3f1f h ARG 104 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 3f1f h ARG 104 CO 0.64 0.00 0.03 0.93 -1.07 0.00 0.00 179.97 180.50 3f1f h GLU 105 N 0.00 0.00 0.00 0.04 3.07 -1.92 0.70 114.58 116.48 3f1f h GLU 105 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3f1f h GLU 105 Cb 0.18 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3f1f h GLU 105 CO 0.00 0.00 -0.01 -0.07 -1.40 0.00 0.00 179.01 177.53 3f1f h LEU 106 N 0.00 0.00 0.52 1.33 3.38 -1.74 -1.24 115.31 117.56 3f1f h LEU 106 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3f1f h LEU 106 Cb 0.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.83 3f1f h LEU 106 CO -0.00 0.01 -0.25 -0.09 0.09 0.00 0.00 178.44 178.20 3f1f h ARG 107 N 0.00 -0.68 0.00 1.13 9.65 -1.05 -1.45 114.38 121.99 3f1f h ARG 107 Ca -0.00 0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 3f1f h ARG 107 Cb 0.03 0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 28.76 3f1f h ARG 107 CO 0.00 -0.39 -0.03 0.93 2.80 0.00 0.00 179.97 183.29 3f1f h GLU 108 N -0.86 0.00 0.00 0.20 5.08 -1.40 -1.90 114.58 115.69 3f1f h GLU 108 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3f1f h GLU 108 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3f1f h GLU 108 CO 0.12 0.03 -0.65 1.63 -1.00 0.00 0.00 179.01 179.14 3f1f n LYS 109 N -3.27 0.22 -0.59 2.33 4.76 -0.55 -4.98 118.16 116.09 3f1f n LYS 109 Ca -0.02 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 3f1f n LYS 109 Cb 0.17 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 3f1f n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3f1f n GLY 110 N 1.38 1.49 2.64 0.72 0.00 -0.71 -5.01 105.19 105.71 3f1f n GLY 110 Ca 0.04 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 3f1f n GLY 110 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3f1f n PHE 111 N -1.91 2.91 -0.35 1.61 3.72 -0.63 -4.79 117.46 118.02 3f1f n PHE 111 Ca 0.00 -2.53 0.30 0.00 -0.05 0.00 0.00 57.45 55.17 3f1f n PHE 111 Cb 0.14 -1.29 0.62 0.00 -0.94 0.00 0.00 39.48 38.01 3f1f n PHE 111 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3f1f h MET 112 N 2.59 0.20 -0.55 -1.08 2.86 -1.89 0.16 114.93 117.23 3f1f h MET 112 Ca 0.56 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 58.25 3f1f h MET 112 Cb 0.38 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.94 3f1f h MET 112 CO 1.43 0.13 0.25 0.87 1.06 0.00 0.00 176.91 180.65 3f1f h LYS 113 N 0.21 0.46 0.10 1.72 1.79 -1.98 0.13 116.57 119.00 3f1f h LYS 113 Ca 0.62 -0.03 -0.21 0.00 -2.18 0.00 0.00 60.65 58.86 3f1f h LYS 113 Cb 1.96 -0.10 0.02 0.00 -1.58 0.00 0.00 32.23 32.53 3f1f h LYS 113 CO -0.21 0.30 -0.87 0.82 -1.08 0.00 0.00 179.45 178.41 3f1f h ILE 114 N 0.47 1.43 0.00 1.86 1.08 -1.09 0.08 117.51 121.34 3f1f h ILE 114 Ca 0.25 -2.39 -0.02 0.00 -0.39 0.00 0.00 64.86 62.32 3f1f h ILE 114 Cb 0.22 2.91 -0.00 0.00 -3.07 0.00 0.00 36.82 36.87 3f1f h ILE 114 CO -0.21 0.69 -0.10 -0.37 -0.69 0.00 0.00 178.15 177.48 3f1f h VAL 115 N -0.13 0.93 0.62 1.67 -1.51 -1.41 0.21 116.25 116.62 3f1f h VAL 115 Ca -0.14 -0.34 -0.03 0.00 -1.23 0.00 0.00 66.70 64.96 3f1f h VAL 115 Cb 1.63 1.19 0.01 0.00 -2.13 0.00 0.00 31.29 31.98 3f1f h VAL 115 CO 0.17 0.09 -0.30 -1.28 -1.23 0.00 0.00 177.57 175.02 3f1f h SER 116 N 0.00 -0.71 0.00 4.19 0.87 -0.57 -3.23 113.55 114.11 3f1f h SER 116 Ca -0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3f1f h SER 116 Cb 0.18 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 3f1f h SER 116 CO 0.01 -0.39 0.00 0.18 -0.53 0.00 0.00 176.83 176.10 3f1f n LEU 117 N -4.89 0.00 -4.72 2.23 4.77 -0.00 -4.75 117.00 109.64 3f1f n LEU 117 Ca -0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.47 3f1f n LEU 117 Cb 0.33 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.38 3f1f n LEU 117 CO 0.25 0.00 0.61 0.00 -1.33 0.00 0.00 177.39 176.92 3f1f s ALA 118 N -2.00 3.23 0.49 -1.18 0.00 0.63 -3.97 121.76 118.97 3f1f s ALA 118 Ca 0.09 0.46 0.31 0.00 0.00 0.00 0.00 51.96 52.82 3f1f s ALA 118 Cb 0.04 -3.23 1.70 0.00 0.00 0.00 0.00 23.12 21.64 3f1f s ALA 118 CO 0.07 -0.12 2.17 -1.00 0.00 0.00 0.00 175.76 176.88 3f1f h PRO 119 N 6.29 0.00 -1.38 0.00 0.13 -1.81 -3.44 132.00 131.79 3f1f h PRO 119 Ca -0.42 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.85 3f1f h PRO 119 Cb 1.21 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.09 3f1f h PRO 119 CO 0.74 0.06 0.69 -2.00 -0.23 0.00 0.00 178.00 177.25 3f1f s GLU 120 N -4.30 0.40 -0.31 0.86 2.12 -1.26 -5.02 118.70 111.19 3f1f s GLU 120 Ca -0.04 0.12 0.01 0.00 0.36 0.00 0.00 54.97 55.42 3f1f s GLU 120 Cb 0.13 0.19 0.09 0.00 0.26 0.00 0.00 34.13 34.81 3f1f s GLU 120 CO 0.55 -0.12 0.06 0.08 -0.54 0.00 0.00 175.26 175.29 3f1f s VAL 121 N -0.99 1.45 -2.63 3.70 1.01 -1.26 -2.36 120.40 119.32 3f1f s VAL 121 Ca 0.02 -1.69 0.27 0.00 0.00 0.00 0.00 61.98 60.58 3f1f s VAL 121 Cb -0.01 -2.03 0.46 0.00 0.00 0.00 0.00 36.38 34.80 3f1f s VAL 121 CO -0.02 -0.56 1.62 0.18 0.00 0.00 0.00 175.10 176.31