#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1c s MET 3 N 0.00 2.98 -0.10 -1.46 1.00 -1.26 -4.90 119.30 115.56 1g1c s MET 3 Ca 0.00 1.56 -0.04 0.00 0.00 0.00 0.00 55.69 57.21 1g1c s MET 3 Cb 0.00 -1.96 0.05 0.00 0.00 0.00 0.00 34.83 32.92 1g1c s MET 3 CO 0.00 -1.14 0.19 -1.21 0.00 0.00 0.00 175.02 172.86 1g1c s GLU 4 N -3.68 0.08 0.59 2.03 2.02 0.12 -4.93 118.70 114.93 1g1c s GLU 4 Ca 0.71 0.60 -0.20 0.00 0.02 0.00 0.00 54.97 56.10 1g1c s GLU 4 Cb -0.24 -0.19 -0.03 0.00 0.10 0.00 0.00 34.13 33.77 1g1c s GLU 4 CO 0.35 -0.28 1.30 0.00 0.02 0.00 0.00 175.26 176.65 1g1c s ALA 5 N 2.18 2.60 0.34 5.21 0.00 -1.26 -0.87 121.76 129.95 1g1c s ALA 5 Ca 0.01 1.22 -0.28 0.00 0.00 0.00 0.00 51.96 52.91 1g1c s ALA 5 Cb -0.12 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 19.34 1g1c s ALA 5 CO -0.07 -1.41 1.25 -2.30 0.00 0.00 0.00 175.76 173.23 1g1c n PRO 6 N -1.46 2.01 -4.24 0.00 -0.02 -1.26 -4.64 135.00 125.39 1g1c n PRO 6 Ca 0.13 0.71 -0.21 0.00 -2.02 0.00 0.00 63.50 62.11 1g1c n PRO 6 Cb 0.47 -2.26 -0.16 0.00 -0.02 0.00 0.00 33.50 31.53 1g1c n PRO 6 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1g1c s LYS 7 N -1.85 0.99 -0.31 -0.52 1.02 0.11 -4.63 119.74 114.55 1g1c s LYS 7 Ca 0.56 -0.16 -0.22 0.00 0.02 0.00 0.00 55.97 56.17 1g1c s LYS 7 Cb -0.58 -0.94 -0.00 0.00 -0.52 0.00 0.00 37.83 35.78 1g1c s LYS 7 CO 0.62 -0.06 0.72 0.42 -0.92 0.00 0.00 175.35 176.12 1g1c s ILE 8 N 0.87 4.85 -0.05 2.17 1.01 -1.26 -1.80 121.20 126.99 1g1c s ILE 8 Ca -0.12 0.99 0.08 0.00 0.00 0.00 0.00 60.65 61.60 1g1c s ILE 8 Cb -0.15 -4.09 -0.24 0.00 0.01 0.00 0.00 42.46 37.99 1g1c s ILE 8 CO 0.01 -0.23 0.64 -0.26 0.00 0.00 0.00 174.94 175.09 1g1c h PHE 9 N 8.20 0.11 -3.28 3.97 0.04 -1.29 -3.45 116.94 121.25 1g1c h PHE 9 Ca -0.25 -0.08 -0.51 0.00 2.80 0.00 0.00 57.97 59.92 1g1c h PHE 9 Cb 1.11 -0.00 -0.38 0.00 2.20 0.00 0.00 35.95 38.87 1g1c h PHE 9 CO 0.77 1.17 -0.78 -1.21 -0.60 0.00 0.00 178.31 177.66 1g1c s GLU 10 N -2.60 1.05 0.65 1.51 2.02 -1.00 -4.96 118.70 115.37 1g1c s GLU 10 Ca -0.08 -0.31 -0.06 0.00 0.02 0.00 0.00 54.97 54.54 1g1c s GLU 10 Cb 0.08 -1.72 0.04 0.00 0.10 0.00 0.00 34.13 32.62 1g1c s GLU 10 CO 0.82 -0.43 0.96 -0.98 0.02 0.00 0.00 175.26 175.65 1g1c s ARG 11 N 1.78 2.55 0.52 1.61 1.70 -1.26 -1.27 118.95 124.59 1g1c s ARG 11 Ca 0.02 -0.13 -0.13 0.00 -0.47 0.00 0.00 55.73 55.02 1g1c s ARG 11 Cb -0.15 -2.22 -0.06 0.00 -0.57 0.00 0.00 34.95 31.96 1g1c s ARG 11 CO -0.07 -0.98 0.94 0.96 -1.08 0.00 0.00 175.30 175.07 1g1c s ILE 12 N -3.12 4.67 0.14 4.99 -4.36 -1.25 -4.80 121.20 117.45 1g1c s ILE 12 Ca 0.57 0.92 0.08 0.00 -0.26 0.00 0.00 60.65 61.96 1g1c s ILE 12 Cb -0.11 -3.78 -0.04 0.00 1.25 0.00 0.00 42.46 39.78 1g1c s ILE 12 CO 0.45 -0.81 -0.18 -1.10 0.24 0.00 0.00 174.94 173.54 1g1c s GLN 13 N -4.42 1.18 0.60 0.37 -0.21 -1.26 -4.75 119.66 111.16 1g1c s GLN 13 Ca 0.55 -1.31 -0.19 0.00 0.02 0.00 0.00 55.36 54.43 1g1c s GLN 13 Cb -0.10 -1.25 -0.03 0.00 1.00 0.00 0.00 33.01 32.62 1g1c s GLN 13 CO 0.39 0.26 1.27 -1.12 -2.12 0.00 0.00 175.29 173.97 1g1c s SER 14 N -2.43 5.04 -0.07 5.90 0.01 -1.26 -4.70 113.70 116.19 1g1c s SER 14 Ca 0.12 2.54 0.04 0.00 1.31 0.00 0.00 55.95 59.96 1g1c s SER 14 Cb -0.07 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.55 1g1c s SER 14 CO 0.05 -1.70 -0.20 -1.10 0.41 0.00 0.00 173.24 170.70 1g1c s GLN 15 N -3.23 2.39 -0.27 12.44 -1.52 0.47 -4.91 119.66 125.03 1g1c s GLN 15 Ca 0.78 -0.73 -0.03 0.00 -1.95 0.00 0.00 55.36 53.42 1g1c s GLN 15 Cb -0.35 -1.92 0.02 0.00 -0.22 0.00 0.00 33.01 30.54 1g1c s GLN 15 CO 0.38 0.21 -0.01 0.99 -0.25 0.00 0.00 175.29 176.61 1g1c s THR 16 N 0.23 3.25 -0.02 -0.19 2.01 -1.26 0.09 115.64 119.75 1g1c s THR 16 Ca -0.11 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 60.96 1g1c s THR 16 Cb -0.15 -2.68 -0.00 0.00 0.01 0.00 0.00 72.50 69.68 1g1c s THR 16 CO 0.05 0.13 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.33 1g1c s VAL 17 N 1.38 0.77 0.44 3.82 1.01 -0.56 -4.97 120.40 122.28 1g1c s VAL 17 Ca 0.00 -0.37 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 1g1c s VAL 17 Cb -0.17 -0.67 -0.09 0.00 0.00 0.00 0.00 36.38 35.45 1g1c s VAL 17 CO -0.02 0.23 1.06 -0.83 0.00 0.00 0.00 175.10 175.54 1g1c s GLY 18 N 0.05 2.66 0.16 4.51 0.00 -1.26 -0.89 107.32 112.55 1g1c s GLY 18 Ca -0.01 0.70 -0.33 0.00 0.00 0.00 0.00 44.72 45.08 1g1c s GLY 18 CO 0.00 1.09 1.08 -1.06 0.00 0.00 0.00 173.10 174.21 1g1c n GLN 19 N -0.45 0.91 0.00 2.90 6.02 -0.20 -1.23 117.38 125.32 1g1c n GLN 19 Ca 0.07 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 1g1c n GLN 19 Cb 0.50 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 30.00 1g1c n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1g1c n GLY 20 N 1.93 3.00 3.90 1.08 0.00 0.19 -4.74 105.19 110.54 1g1c n GLY 20 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1g1c n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1g1c s SER 21 N -0.02 3.74 -0.06 1.61 0.01 -0.36 -3.94 113.70 114.68 1g1c s SER 21 Ca 0.00 0.57 -0.04 0.00 1.31 0.00 0.00 55.95 57.80 1g1c s SER 21 Cb 0.00 -0.87 -0.04 0.00 0.21 0.00 0.00 66.02 65.32 1g1c s SER 21 CO 0.00 -2.37 0.14 -1.81 0.41 0.00 0.00 173.24 169.60 1g1c s ASP 22 N -4.65 6.17 -0.14 2.44 1.01 -1.26 -1.57 116.67 118.68 1g1c s ASP 22 Ca 0.67 0.34 -0.06 0.00 0.71 0.00 0.00 52.55 54.22 1g1c s ASP 22 Cb -0.08 -1.92 -0.04 0.00 1.01 0.00 0.00 42.92 41.89 1g1c s ASP 22 CO 0.51 0.33 0.06 0.00 0.21 0.00 0.00 175.17 176.29 1g1c s ALA 23 N -1.16 3.50 -0.06 5.23 0.00 0.11 -4.94 121.76 124.43 1g1c s ALA 23 Ca 0.21 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.47 1g1c s ALA 23 Cb -0.12 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.20 1g1c s ALA 23 CO 0.11 0.42 -0.16 -1.01 0.00 0.00 0.00 175.76 175.12 1g1c s HIS 24 N -0.37 1.74 -0.03 0.00 3.76 -1.26 -0.90 115.29 118.22 1g1c s HIS 24 Ca 0.09 -0.59 0.04 0.00 -0.15 0.00 0.00 55.06 54.46 1g1c s HIS 24 Cb -0.12 -1.20 -0.00 0.00 1.11 0.00 0.00 32.58 32.37 1g1c s HIS 24 CO 0.02 -0.24 -0.15 -0.06 -0.85 0.00 0.00 174.74 173.45 1g1c s PHE 25 N 0.31 1.49 -0.02 1.40 0.08 -0.40 -4.95 117.98 115.88 1g1c s PHE 25 Ca -0.10 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.57 1g1c s PHE 25 Cb -0.14 -1.01 0.01 0.00 -0.57 0.00 0.00 43.02 41.32 1g1c s PHE 25 CO 0.04 -0.13 -0.05 1.03 -0.10 0.00 0.00 175.22 176.01 1g1c s ARG 26 N 0.01 0.61 -0.03 0.44 0.52 -1.26 0.06 118.95 119.31 1g1c s ARG 26 Ca -0.02 -0.13 0.04 0.00 -0.52 0.00 0.00 55.73 55.10 1g1c s ARG 26 Cb -0.10 -0.63 -0.00 0.00 0.52 0.00 0.00 34.95 34.74 1g1c s ARG 26 CO 0.01 0.01 -0.15 0.54 0.02 0.00 0.00 175.30 175.73 1g1c s VAL 27 N 0.46 1.27 -0.26 3.52 0.11 -0.49 -3.97 120.40 121.04 1g1c s VAL 27 Ca -0.06 -0.64 -0.09 0.00 -2.93 0.00 0.00 61.98 58.26 1g1c s VAL 27 Cb -0.09 -1.09 -0.04 0.00 -1.53 0.00 0.00 36.38 33.63 1g1c s VAL 27 CO -0.00 0.37 0.13 -0.60 -3.33 0.00 0.00 175.10 171.67 1g1c s ARG 28 N -0.03 3.82 -0.00 1.54 3.52 -0.40 -1.52 118.95 125.89 1g1c s ARG 28 Ca -0.01 -0.39 -0.03 0.00 -0.13 0.00 0.00 55.73 55.17 1g1c s ARG 28 Cb -0.10 -3.49 -0.00 0.00 -1.56 0.00 0.00 34.95 29.79 1g1c s ARG 28 CO 0.01 -0.16 0.05 0.54 -0.81 0.00 0.00 175.30 174.93 1g1c s VAL 29 N 1.64 0.06 0.35 7.11 0.11 0.40 -0.69 120.40 129.38 1g1c s VAL 29 Ca 0.07 -0.53 0.03 0.00 -2.93 0.00 0.00 61.98 58.62 1g1c s VAL 29 Cb -0.15 -0.25 -0.05 0.00 -1.53 0.00 0.00 36.38 34.40 1g1c s VAL 29 CO 0.07 -0.29 0.09 0.68 -3.33 0.00 0.00 175.10 172.32 1g1c s VAL 30 N -0.92 0.86 0.00 2.04 -7.23 -0.75 -4.63 120.40 109.78 1g1c s VAL 30 Ca -0.10 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 1g1c s VAL 30 Cb -0.06 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.30 1g1c s VAL 30 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1g1c n GLY 31 N -0.76 2.06 2.74 2.32 0.00 -1.26 -0.71 105.19 109.57 1g1c n GLY 31 Ca -0.04 -1.06 -0.20 0.00 0.00 0.00 0.00 46.02 44.73 1g1c n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1g1c s LYS 32 N -2.00 0.02 0.96 1.61 2.47 -0.05 -3.61 119.74 119.14 1g1c s LYS 32 Ca 0.00 0.35 -0.11 0.00 -1.56 0.00 0.00 55.97 54.65 1g1c s LYS 32 Cb 0.00 -0.73 0.17 0.00 -1.46 0.00 0.00 37.83 35.81 1g1c s LYS 32 CO 0.00 -0.42 1.09 -2.14 0.16 0.00 0.00 175.35 174.04 1g1c s PRO 33 N 2.23 0.71 0.05 4.03 0.02 -1.26 0.15 135.00 140.92 1g1c s PRO 33 Ca 0.04 1.11 -0.37 0.00 0.02 0.00 0.00 61.00 61.80 1g1c s PRO 33 Cb -0.13 -1.72 -0.16 0.00 0.02 0.00 0.00 34.50 32.50 1g1c s PRO 33 CO -0.06 -2.70 1.39 -0.25 -0.33 0.00 0.00 177.00 175.05 1g1c n ASP 34 N -4.24 1.77 -4.80 2.53 8.00 -1.24 -4.85 116.55 113.74 1g1c n ASP 34 Ca 0.08 1.11 -0.32 0.00 0.71 0.00 0.00 54.79 56.37 1g1c n ASP 34 Cb 0.54 -1.19 0.03 0.00 -0.02 0.00 0.00 41.12 40.47 1g1c n ASP 34 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1g1c s PRO 35 N 0.81 3.08 0.37 -0.24 0.04 -1.26 -4.87 135.00 132.93 1g1c s PRO 35 Ca 0.86 1.20 -0.08 0.00 0.04 0.00 0.00 61.00 63.02 1g1c s PRO 35 Cb -0.95 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 31.53 1g1c s PRO 35 CO 0.48 -1.00 0.69 -1.21 0.04 0.00 0.00 177.00 176.00 1g1c s GLU 36 N -4.29 3.69 -0.18 4.56 2.02 0.28 -4.80 118.70 119.98 1g1c s GLU 36 Ca 0.63 0.25 -0.02 0.00 0.02 0.00 0.00 54.97 55.86 1g1c s GLU 36 Cb -0.17 -2.49 -0.00 0.00 0.10 0.00 0.00 34.13 31.57 1g1c s GLU 36 CO 0.42 0.04 -0.11 0.00 0.02 0.00 0.00 175.26 175.64 1g1c s GLU 38 N 1.07 1.70 0.14 0.00 2.02 -0.44 -4.99 118.70 118.19 1g1c s GLU 38 Ca 0.00 -0.72 0.10 0.00 0.02 0.00 0.00 54.97 54.37 1g1c s GLU 38 Cb -0.15 -1.61 -0.04 0.00 0.10 0.00 0.00 34.13 32.43 1g1c s GLU 38 CO -0.02 0.41 -0.20 -1.58 0.02 0.00 0.00 175.26 173.89 1g1c s TRP 39 N -0.41 2.45 0.03 1.61 0.52 -1.26 -0.38 118.94 121.50 1g1c s TRP 39 Ca 0.06 -0.30 0.03 0.00 0.02 0.00 0.00 56.10 55.91 1g1c s TRP 39 Cb -0.08 -1.28 -0.02 0.00 -1.15 0.00 0.00 33.47 30.94 1g1c s TRP 39 CO -0.00 0.41 -0.09 0.71 0.02 0.00 0.00 176.95 178.00 1g1c s TYR 40 N -1.30 0.81 -0.23 -1.98 1.51 0.67 -0.03 117.35 116.80 1g1c s TYR 40 Ca 0.18 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 55.93 1g1c s TYR 40 Cb -0.10 -0.49 0.05 0.00 -0.11 0.00 0.00 41.96 41.31 1g1c s TYR 40 CO 0.10 -0.02 -0.13 0.21 -1.11 0.00 0.00 175.55 174.60 1g1c s LYS 41 N -1.01 2.38 -1.64 -0.62 2.47 -0.23 -1.35 119.74 119.74 1g1c s LYS 41 Ca -0.03 -1.14 -0.16 0.00 -1.56 0.00 0.00 55.97 53.08 1g1c s LYS 41 Cb -0.07 -2.74 0.13 0.00 -1.46 0.00 0.00 37.83 33.69 1g1c s LYS 41 CO 0.01 -0.46 0.84 0.09 0.16 0.00 0.00 175.35 175.98 1g1c n ASN 42 N 4.52 -3.66 0.00 1.43 3.02 0.11 -0.34 115.26 120.34 1g1c n ASN 42 Ca -0.16 -0.94 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 1g1c n ASN 42 Cb 0.45 -3.14 0.00 0.00 -0.61 0.00 0.00 39.78 36.48 1g1c n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g1c n GLY 43 N -1.52 1.67 3.64 7.41 0.00 -1.26 -5.01 105.19 110.12 1g1c n GLY 43 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1g1c n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g1c s VAL 44 N -2.82 5.32 0.22 1.61 1.01 0.54 -5.01 120.40 121.28 1g1c s VAL 44 Ca 0.00 0.23 -0.32 0.00 0.00 0.00 0.00 61.98 61.89 1g1c s VAL 44 Cb 0.00 -3.53 -0.13 0.00 0.00 0.00 0.00 36.38 32.72 1g1c s VAL 44 CO 0.00 0.30 1.56 1.17 0.00 0.00 0.00 175.10 178.13 1g1c n LYS 45 N 4.59 2.34 -2.93 2.72 4.81 -1.26 -1.07 118.16 127.36 1g1c n LYS 45 Ca -0.14 0.84 -0.40 0.00 -0.87 0.00 0.00 58.31 57.74 1g1c n LYS 45 Cb 0.52 -2.59 -0.06 0.00 0.02 0.00 0.00 35.03 32.92 1g1c n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1g1c s ILE 46 N 0.48 4.37 0.08 3.15 1.01 0.96 -4.88 121.20 126.38 1g1c s ILE 46 Ca 0.72 1.78 0.08 0.00 0.00 0.00 0.00 60.65 63.23 1g1c s ILE 46 Cb -0.60 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 37.65 1g1c s ILE 46 CO 0.42 0.49 -0.18 -1.61 0.00 0.00 0.00 174.94 174.06 1g1c s GLU 47 N -0.94 1.95 0.39 2.79 2.02 -1.26 -4.74 118.70 118.91 1g1c s GLU 47 Ca 0.38 -1.07 -0.25 0.00 0.02 0.00 0.00 54.97 54.04 1g1c s GLU 47 Cb -0.23 -2.16 -0.09 0.00 0.10 0.00 0.00 34.13 31.75 1g1c s GLU 47 CO 0.27 0.51 1.15 1.03 0.02 0.00 0.00 175.26 178.25 1g1c s ARG 48 N -1.77 4.12 0.37 1.61 0.52 -1.26 -4.81 118.95 117.74 1g1c s ARG 48 Ca 0.16 1.81 -0.05 0.00 -0.52 0.00 0.00 55.73 57.13 1g1c s ARG 48 Cb -0.11 -2.71 0.02 0.00 0.52 0.00 0.00 34.95 32.67 1g1c s ARG 48 CO 0.08 -0.25 0.58 -1.54 0.02 0.00 0.00 175.30 174.19 1g1c s SER 49 N -1.15 0.80 0.43 0.23 1.04 0.10 -4.99 113.70 110.16 1g1c s SER 49 Ca 0.56 -1.46 0.21 0.00 0.48 0.00 0.00 55.95 55.73 1g1c s SER 49 Cb -0.30 0.74 0.99 0.00 0.10 0.00 0.00 66.02 67.55 1g1c s SER 49 CO 0.38 -1.45 1.89 0.44 0.98 0.00 0.00 173.24 175.47 1g1c h ASP 50 N 2.04 0.00 0.30 7.02 3.32 -2.03 -3.20 116.42 123.88 1g1c h ASP 50 Ca -0.30 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.42 1g1c h ASP 50 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1g1c h ASP 50 CO 0.40 0.26 -1.71 -0.09 -1.72 0.00 0.00 179.24 176.38 1g1c h ARG 51 N 0.00 0.29 -4.97 3.56 2.43 -1.95 -3.46 114.38 110.27 1g1c h ARG 51 Ca -0.00 -0.49 -0.61 0.00 -0.81 0.00 0.00 59.98 58.07 1g1c h ARG 51 Cb 0.62 0.18 -0.33 0.00 -0.42 0.00 0.00 29.97 30.02 1g1c h ARG 51 CO 0.03 1.16 -0.85 0.42 -1.51 0.00 0.00 179.97 179.22 1g1c s ILE 52 N -2.59 1.66 0.18 1.20 1.01 -1.21 -1.23 121.20 120.22 1g1c s ILE 52 Ca -0.13 -0.78 -0.22 0.00 0.00 0.00 0.00 60.65 59.51 1g1c s ILE 52 Cb 0.06 -1.47 0.06 0.00 0.01 0.00 0.00 42.46 41.12 1g1c s ILE 52 CO 0.84 0.47 0.61 -0.72 0.00 0.00 0.00 174.94 176.14 1g1c s TYR 53 N 0.58 -0.47 0.12 3.97 -0.85 -0.88 -0.72 117.35 119.09 1g1c s TYR 53 Ca -0.15 0.22 0.05 0.00 -0.52 0.00 0.00 57.07 56.68 1g1c s TYR 53 Cb -0.17 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.71 1g1c s TYR 53 CO 0.05 -0.90 -0.12 1.67 -1.52 0.00 0.00 175.55 174.72 1g1c s TRP 54 N -3.78 1.29 0.35 -3.49 -2.14 -1.26 -0.67 118.94 109.24 1g1c s TRP 54 Ca 0.03 -0.63 -0.14 0.00 2.66 0.00 0.00 56.10 58.02 1g1c s TRP 54 Cb -0.02 -0.67 0.05 0.00 -3.10 0.00 0.00 33.47 29.74 1g1c s TRP 54 CO -0.10 0.10 0.72 2.48 -2.66 0.00 0.00 176.95 177.49 1g1c n TYR 55 N 0.35 -2.21 -3.63 1.66 0.18 -0.03 -4.96 117.16 108.53 1g1c n TYR 55 Ca -0.14 -1.66 -0.39 0.00 1.88 0.00 0.00 57.90 57.59 1g1c n TYR 55 Cb 0.58 0.83 -0.08 0.00 -0.38 0.00 0.00 39.34 40.29 1g1c n TYR 55 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1g1c s TRP 56 N -2.83 3.49 0.36 -3.48 0.52 -1.26 -0.91 118.94 114.84 1g1c s TRP 56 Ca 0.14 -2.50 0.09 0.00 0.02 0.00 0.00 56.10 53.86 1g1c s TRP 56 Cb -0.04 -3.35 0.70 0.00 -1.15 0.00 0.00 33.47 29.63 1g1c s TRP 56 CO 0.11 -0.89 1.85 -1.00 0.02 0.00 0.00 176.95 177.04 1g1c h PRO 57 N 7.32 0.19 -4.90 4.98 0.13 -1.93 -3.44 132.00 134.36 1g1c h PRO 57 Ca -0.01 -0.06 -0.29 0.00 -0.87 0.00 0.00 66.00 64.77 1g1c h PRO 57 Cb 0.98 -0.02 -0.15 0.00 0.13 0.00 0.00 31.00 31.95 1g1c h PRO 57 CO 0.73 0.43 -0.70 -1.21 -0.23 0.00 0.00 178.00 177.02 1g1c s GLU 58 N -4.50 1.00 0.59 0.86 2.02 -1.25 -5.05 118.70 112.37 1g1c s GLU 58 Ca -0.05 -1.43 0.37 0.00 0.02 0.00 0.00 54.97 53.89 1g1c s GLU 58 Cb 0.15 -0.45 1.79 0.00 0.10 0.00 0.00 34.13 35.72 1g1c s GLU 58 CO 0.74 0.02 2.14 -0.44 0.02 0.00 0.00 175.26 177.74 1g1c h ASP 59 N 2.82 0.00 -0.08 -0.19 3.32 -2.01 -2.37 116.42 117.91 1g1c h ASP 59 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1g1c h ASP 59 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1g1c h ASP 59 CO 0.64 0.02 0.00 0.59 -1.72 0.00 0.00 179.24 178.77 1g1c n ASN 60 N -3.15 2.69 -4.08 6.45 3.02 -1.26 -4.95 115.26 113.98 1g1c n ASN 60 Ca -0.01 -2.85 -0.32 0.00 -0.03 0.00 0.00 54.58 51.37 1g1c n ASN 60 Cb 0.21 -0.38 -0.16 0.00 -0.61 0.00 0.00 39.78 38.84 1g1c n ASN 60 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1g1c s VAL 61 N -2.49 1.96 -0.21 2.41 1.01 -0.89 -0.46 120.40 121.73 1g1c s VAL 61 Ca 0.29 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 1g1c s VAL 61 Cb 0.24 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1g1c s VAL 61 CO 0.05 0.38 0.08 0.00 0.00 0.00 0.00 175.10 175.60 1g1c s GLU 63 N 0.75 2.71 -0.13 0.00 2.12 -0.08 -1.39 118.70 122.68 1g1c s GLU 63 Ca 0.04 -0.86 -0.06 0.00 0.36 0.00 0.00 54.97 54.45 1g1c s GLU 63 Cb -0.13 -2.16 -0.04 0.00 0.26 0.00 0.00 34.13 32.06 1g1c s GLU 63 CO 0.02 0.26 0.09 -1.17 -0.54 0.00 0.00 175.26 173.93 1g1c s LEU 64 N 0.12 4.10 -0.09 2.70 2.96 0.11 -0.85 118.68 127.73 1g1c s LEU 64 Ca -0.11 0.32 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 1g1c s LEU 64 Cb -0.16 -2.00 0.02 0.00 0.50 0.00 0.00 46.19 44.56 1g1c s LEU 64 CO 0.06 0.35 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.64 1g1c s VAL 65 N -0.69 1.19 -0.28 1.68 1.01 0.15 -1.28 120.40 122.18 1g1c s VAL 65 Ca 0.12 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1g1c s VAL 65 Cb -0.12 -1.12 0.06 0.00 0.00 0.00 0.00 36.38 35.20 1g1c s VAL 65 CO 0.03 0.38 -0.06 -0.63 0.00 0.00 0.00 175.10 174.82 1g1c s ILE 66 N 1.08 2.49 0.42 2.22 1.01 -0.07 -2.08 121.20 126.28 1g1c s ILE 66 Ca -0.06 -1.58 -0.09 0.00 0.00 0.00 0.00 60.65 58.91 1g1c s ILE 66 Cb -0.14 -2.48 -0.06 0.00 0.01 0.00 0.00 42.46 39.79 1g1c s ILE 66 CO -0.02 -0.09 0.77 -0.13 0.00 0.00 0.00 174.94 175.46 1g1c s ARG 67 N 1.15 3.71 -1.10 2.79 0.52 -0.36 0.04 118.95 125.70 1g1c s ARG 67 Ca -0.06 0.38 -0.25 0.00 -0.52 0.00 0.00 55.73 55.28 1g1c s ARG 67 Cb -0.20 -2.40 0.03 0.00 0.52 0.00 0.00 34.95 32.91 1g1c s ARG 67 CO -0.04 -0.07 0.66 -0.25 0.02 0.00 0.00 175.30 175.62 1g1c n ASP 68 N -1.54 -4.37 -4.75 0.23 8.00 -1.12 -4.84 116.55 108.16 1g1c n ASP 68 Ca 0.02 -1.20 -0.38 0.00 0.71 0.00 0.00 54.79 53.94 1g1c n ASP 68 Cb 0.54 -1.68 0.03 0.00 -0.02 0.00 0.00 41.12 39.99 1g1c n ASP 68 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1g1c s VAL 69 N -3.37 2.37 0.40 2.53 -7.23 -0.61 -4.57 120.40 109.93 1g1c s VAL 69 Ca 0.35 0.26 0.04 0.00 -1.81 0.00 0.00 61.98 60.83 1g1c s VAL 69 Cb -0.19 -3.13 -0.05 0.00 0.56 0.00 0.00 36.38 33.57 1g1c s VAL 69 CO 0.95 -0.01 0.05 0.28 -0.31 0.00 0.00 175.10 176.05 1g1c s THR 70 N -1.40 1.29 0.59 5.32 -1.32 -1.26 -0.64 115.64 118.22 1g1c s THR 70 Ca 0.72 -2.00 0.29 0.00 -1.21 0.00 0.00 61.69 59.49 1g1c s THR 70 Cb -0.36 -2.64 0.36 0.00 -1.51 0.00 0.00 72.50 68.35 1g1c s THR 70 CO 0.42 0.00 2.15 1.23 -2.21 0.00 0.00 174.62 176.21 1g1c h GLY 71 N 1.80 0.00 1.64 6.08 0.00 -1.96 0.59 103.07 111.22 1g1c h GLY 71 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1g1c h GLY 71 CO 0.71 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.43 1g1c n GLU 72 N -3.77 0.27 0.04 4.80 -0.58 -1.26 -3.23 120.64 116.91 1g1c n GLU 72 Ca 0.00 0.08 0.11 0.00 -0.42 0.00 0.00 57.16 56.93 1g1c n GLU 72 Cb 0.25 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.56 1g1c n GLU 72 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1g1c n ASP 73 N -1.32 0.47 -4.64 1.62 8.00 0.20 -4.91 116.55 115.97 1g1c n ASP 73 Ca 0.10 0.08 -0.48 0.00 0.71 0.00 0.00 54.79 55.20 1g1c n ASP 73 Cb 0.20 1.13 -0.04 0.00 -0.02 0.00 0.00 41.12 42.38 1g1c n ASP 73 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1g1c n SER 74 N -2.36 2.52 -3.95 -2.24 7.64 -1.20 -4.84 113.62 109.19 1g1c n SER 74 Ca -0.01 1.10 0.04 0.00 1.01 0.00 0.00 58.87 61.02 1g1c n SER 74 Cb 0.53 -1.34 0.01 0.00 -1.01 0.00 0.00 64.21 62.40 1g1c n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g1c s ALA 75 N 0.60 -2.73 -0.01 -0.43 0.00 -0.38 -4.98 121.76 113.83 1g1c s ALA 75 Ca 0.79 0.23 -0.21 0.00 0.00 0.00 0.00 51.96 52.77 1g1c s ALA 75 Cb -0.77 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1g1c s ALA 75 CO 0.43 -1.17 0.60 -1.54 0.00 0.00 0.00 175.76 174.08 1g1c s SER 76 N -3.84 6.97 -0.12 0.00 1.04 -1.26 -0.62 113.70 115.87 1g1c s SER 76 Ca 0.30 1.16 0.03 0.00 0.48 0.00 0.00 55.95 57.92 1g1c s SER 76 Cb 0.01 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.77 1g1c s SER 76 CO -0.03 0.10 -0.22 -0.63 0.98 0.00 0.00 173.24 173.44 1g1c s ILE 77 N -0.18 2.14 0.05 -1.02 -1.09 -0.43 0.04 121.20 120.71 1g1c s ILE 77 Ca 0.31 -0.98 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 1g1c s ILE 77 Cb -0.18 -1.84 -0.02 0.00 -1.58 0.00 0.00 42.46 38.84 1g1c s ILE 77 CO 0.17 0.55 -0.10 -0.32 -1.23 0.00 0.00 174.94 174.01 1g1c s MET 78 N 0.53 0.64 -0.06 2.79 -2.45 -0.46 -1.42 119.30 118.86 1g1c s MET 78 Ca -0.14 -0.76 0.05 0.00 -1.25 0.00 0.00 55.69 53.59 1g1c s MET 78 Cb -0.17 -0.51 -0.00 0.00 1.25 0.00 0.00 34.83 35.39 1g1c s MET 78 CO 0.05 0.11 -0.22 0.54 1.05 0.00 0.00 175.02 176.55 1g1c s VAL 79 N -1.18 1.80 -0.13 10.11 0.11 -0.25 -0.24 120.40 130.62 1g1c s VAL 79 Ca -0.06 -0.91 0.01 0.00 -2.93 0.00 0.00 61.98 58.10 1g1c s VAL 79 Cb -0.09 -1.54 -0.01 0.00 -1.53 0.00 0.00 36.38 33.21 1g1c s VAL 79 CO 0.01 0.51 -0.17 -0.75 -3.33 0.00 0.00 175.10 171.37 1g1c s LYS 80 N 0.06 3.25 -0.21 1.54 2.20 0.49 -1.75 119.74 125.33 1g1c s LYS 80 Ca -0.08 -0.76 -0.07 0.00 -0.36 0.00 0.00 55.97 54.71 1g1c s LYS 80 Cb -0.14 -2.54 -0.03 0.00 -1.51 0.00 0.00 37.83 33.61 1g1c s LYS 80 CO 0.04 0.15 0.05 0.00 -0.36 0.00 0.00 175.35 175.24 1g1c s ALA 81 N 0.47 3.23 -0.02 3.13 0.00 0.09 -1.33 121.76 127.33 1g1c s ALA 81 Ca -0.12 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 50.94 1g1c s ALA 81 Cb -0.16 -1.94 -0.00 0.00 0.00 0.00 0.00 23.12 21.02 1g1c s ALA 81 CO 0.05 -0.12 -0.09 0.42 0.00 0.00 0.00 175.76 176.02 1g1c s ILE 82 N 0.94 0.74 0.32 0.00 1.01 -0.30 -1.83 121.20 122.08 1g1c s ILE 82 Ca 0.03 -0.37 -0.05 0.00 0.00 0.00 0.00 60.65 60.26 1g1c s ILE 82 Cb -0.14 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 41.69 1g1c s ILE 82 CO 0.03 0.22 0.48 0.54 0.00 0.00 0.00 174.94 176.21 1g1c s ASN 83 N 0.00 0.61 0.56 3.58 2.20 -0.52 0.10 114.94 121.47 1g1c s ASN 83 Ca 0.00 -1.34 0.24 0.00 -0.94 0.00 0.00 52.86 50.82 1g1c s ASN 83 Cb -0.06 0.65 1.56 0.00 -2.00 0.00 0.00 41.25 41.40 1g1c s ASN 83 CO 0.00 -1.28 2.18 0.16 -2.94 0.00 0.00 177.10 175.23 1g1c h ILE 84 N 2.15 0.72 0.00 0.54 3.07 -1.90 -1.44 117.51 120.65 1g1c h ILE 84 Ca -0.28 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.13 1g1c h ILE 84 Cb 1.24 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.76 1g1c h ILE 84 CO 0.39 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.49 1g1c n ALA 85 N -2.43 2.43 0.00 0.16 0.00 -1.26 -5.01 120.51 114.40 1g1c n ALA 85 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1g1c n ALA 85 Cb 0.14 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1g1c n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g1c n GLY 86 N 1.34 0.51 3.28 0.00 0.00 -0.54 -4.45 105.19 105.33 1g1c n GLY 86 Ca 0.12 -1.74 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 1g1c n GLY 86 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1g1c s GLU 87 N -2.00 1.04 0.14 1.61 -1.05 -1.26 -1.44 118.70 115.75 1g1c s GLU 87 Ca 0.00 -1.13 -0.16 0.00 -0.15 0.00 0.00 54.97 53.53 1g1c s GLU 87 Cb 0.00 0.36 0.03 0.00 -0.44 0.00 0.00 34.13 34.08 1g1c s GLU 87 CO 0.00 -0.36 0.43 -0.08 0.95 0.00 0.00 175.26 176.20 1g1c s THR 88 N -3.94 0.06 0.08 1.83 -1.32 -0.76 -4.86 115.64 106.72 1g1c s THR 88 Ca 0.14 -0.60 -0.09 0.00 -1.21 0.00 0.00 61.69 59.93 1g1c s THR 88 Cb 0.04 -1.25 -0.00 0.00 -1.51 0.00 0.00 72.50 69.78 1g1c s THR 88 CO -0.03 -0.26 0.19 -0.94 -2.21 0.00 0.00 174.62 171.36 1g1c s SER 89 N -2.82 0.10 -0.01 8.08 1.04 -1.26 -0.73 113.70 118.10 1g1c s SER 89 Ca 0.04 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 55.90 1g1c s SER 89 Cb 0.01 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1g1c s SER 89 CO -0.10 -0.68 -0.04 -0.55 0.98 0.00 0.00 173.24 172.84 1g1c s SER 90 N -2.66 0.54 0.12 7.02 0.15 -0.71 -4.99 113.70 113.17 1g1c s SER 90 Ca 0.02 -0.08 0.08 0.00 0.70 0.00 0.00 55.95 56.67 1g1c s SER 90 Cb 0.03 -0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.21 1g1c s SER 90 CO -0.09 0.04 -0.18 -1.00 1.20 0.00 0.00 173.24 173.20 1g1c s HIS 91 N 0.04 1.68 0.08 3.44 0.09 -1.26 -1.09 115.29 118.27 1g1c s HIS 91 Ca -0.00 -0.46 -0.03 0.00 -0.00 0.00 0.00 55.06 54.57 1g1c s HIS 91 Cb -0.03 -0.89 0.01 0.00 -0.00 0.00 0.00 32.58 31.67 1g1c s HIS 91 CO -0.00 0.22 0.17 0.00 -0.00 0.00 0.00 174.74 175.13 1g1c n ALA 92 N 0.76 -0.40 -2.65 -1.40 0.00 -0.51 -4.82 120.51 111.49 1g1c n ALA 92 Ca -0.17 -0.26 -0.19 0.00 0.00 0.00 0.00 53.44 52.82 1g1c n ALA 92 Cb 0.55 0.20 -0.12 0.00 0.00 0.00 0.00 19.45 20.08 1g1c n ALA 92 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1g1c s PHE 93 N -7.20 1.32 -0.26 0.00 0.40 -1.26 -1.31 117.98 109.67 1g1c s PHE 93 Ca 0.04 -0.47 -0.05 0.00 -0.60 0.00 0.00 56.93 55.85 1g1c s PHE 93 Cb -0.01 -0.73 -0.00 0.00 0.51 0.00 0.00 43.02 42.79 1g1c s PHE 93 CO 0.02 0.09 0.02 -1.17 0.70 0.00 0.00 175.22 174.88 1g1c s LEU 94 N -1.86 3.38 -0.40 -0.37 2.96 0.21 -0.39 118.68 122.21 1g1c s LEU 94 Ca 0.01 -0.55 -0.03 0.00 -0.22 0.00 0.00 54.13 53.34 1g1c s LEU 94 Cb -0.09 -1.81 0.10 0.00 0.50 0.00 0.00 46.19 44.89 1g1c s LEU 94 CO 0.03 -0.10 0.19 -0.76 -1.32 0.00 0.00 176.35 174.38 1g1c s LEU 95 N 1.49 5.14 -0.13 -0.68 1.43 0.11 -1.25 118.68 124.78 1g1c s LEU 95 Ca 0.04 -1.97 -0.27 0.00 -1.03 0.00 0.00 54.13 50.90 1g1c s LEU 95 Cb -0.16 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 1g1c s LEU 95 CO -0.00 -0.52 0.89 -0.69 0.23 0.00 0.00 176.35 176.26 1g1c s VAL 96 N 1.15 4.86 0.00 -1.59 1.01 -1.26 -1.49 120.40 123.08 1g1c s VAL 96 Ca 0.07 1.78 -0.05 0.00 0.00 0.00 0.00 61.98 63.78 1g1c s VAL 96 Cb -0.22 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 1g1c s VAL 96 CO -0.04 0.04 0.24 -1.10 0.00 0.00 0.00 175.10 174.24 1g1c s GLN 97 N 1.97 3.54 0.21 2.72 -0.21 -0.07 -4.92 119.66 122.89 1g1c s GLN 97 Ca 0.42 -0.15 -0.30 0.00 0.02 0.00 0.00 55.36 55.35 1g1c s GLN 97 Cb -0.17 -3.08 -0.10 0.00 1.00 0.00 0.00 33.01 30.66 1g1c s GLN 97 CO 0.15 0.65 1.43 0.00 -2.12 0.00 0.00 175.29 175.41 1g1c s ALA 98 N -1.31 3.63 -1.74 6.09 0.00 -1.26 -1.04 121.76 126.13 1g1c s ALA 98 Ca 0.28 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1g1c s ALA 98 Cb -0.13 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1g1c s ALA 98 CO 0.17 -0.69 0.43 1.17 0.00 0.00 0.00 175.76 176.84