#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjg s GLN 3 N 0.00 1.05 0.02 5.31 0.74 -1.26 -4.51 119.66 121.00 1fjg s GLN 3 Ca 0.00 -0.05 -0.01 0.00 0.05 0.00 0.00 55.36 55.36 1fjg s GLN 3 Cb 0.00 0.49 -0.02 0.00 1.10 0.00 0.00 33.01 34.58 1fjg s GLN 3 CO 0.00 -0.36 -0.01 0.71 -0.55 0.00 0.00 175.29 175.07 1fjg s TYR 4 N -1.98 0.20 0.04 1.67 1.51 0.45 -4.98 117.35 114.27 1fjg s TYR 4 Ca -0.08 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 55.56 1fjg s TYR 4 Cb -0.01 -0.15 -0.03 0.00 -0.11 0.00 0.00 41.96 41.66 1fjg s TYR 4 CO 0.02 -0.17 -0.03 -0.47 -1.11 0.00 0.00 175.55 173.79 1fjg s TYR 5 N -1.24 0.47 0.03 2.71 6.14 -1.25 0.19 117.35 124.40 1fjg s TYR 5 Ca -0.14 -0.86 -0.12 0.00 0.64 0.00 0.00 57.07 56.60 1fjg s TYR 5 Cb -0.08 -0.33 0.01 0.00 0.42 0.00 0.00 41.96 41.97 1fjg s TYR 5 CO -0.01 -0.29 0.24 0.20 0.64 0.00 0.00 175.55 176.34 1fjg s GLY 6 N -2.40 -0.04 -0.24 8.97 0.00 -0.27 -3.44 107.32 109.90 1fjg s GLY 6 Ca -0.01 -0.10 -0.14 0.00 0.00 0.00 0.00 44.72 44.47 1fjg s GLY 6 CO -0.06 -0.29 -0.07 2.41 0.00 0.00 0.00 173.10 175.09 1fjg n THR 7 N 0.75 1.55 -1.95 0.90 -1.04 -1.26 -0.80 114.28 112.44 1fjg n THR 7 Ca -0.19 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 1fjg n THR 7 Cb 0.59 -1.87 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 1fjg n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1fjg n GLY 8 N 1.50 -2.48 3.01 3.41 0.00 -1.25 -2.36 105.19 107.02 1fjg n GLY 8 Ca -0.44 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 1fjg n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fjg s ARG 9 N -0.25 0.56 -0.09 1.61 0.52 -1.26 -0.21 118.95 119.83 1fjg s ARG 9 Ca 0.00 -0.40 -0.05 0.00 -0.52 0.00 0.00 55.73 54.76 1fjg s ARG 9 Cb 0.00 -0.49 0.04 0.00 0.52 0.00 0.00 34.95 35.02 1fjg s ARG 9 CO 0.00 0.13 0.22 0.50 0.02 0.00 0.00 175.30 176.16 1fjg s ARG 10 N -0.58 0.19 -0.64 3.54 6.06 -0.11 -4.66 118.95 122.75 1fjg s ARG 10 Ca -0.01 0.45 -0.02 0.00 -2.50 0.00 0.00 55.73 53.65 1fjg s ARG 10 Cb -0.05 -0.09 0.02 0.00 0.06 0.00 0.00 34.95 34.90 1fjg s ARG 10 CO 0.00 -0.14 0.06 1.17 -2.50 0.00 0.00 175.30 173.89 1fjg n LYS 11 N 3.99 -0.95 -2.24 5.12 4.81 -1.26 -0.40 118.16 127.22 1fjg n LYS 11 Ca -0.23 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 1fjg n LYS 11 Cb 0.54 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 34.07 1fjg n LYS 11 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1fjg n GLU 12 N -2.29 0.00 -3.81 1.64 2.13 -1.26 -4.88 120.64 112.17 1fjg n GLU 12 Ca -0.09 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.61 1fjg n GLU 12 Cb 0.25 -2.38 -0.13 0.00 0.27 0.00 0.00 31.44 29.45 1fjg n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1fjg s ALA 13 N -2.94 -0.29 -0.04 4.31 0.00 0.46 -2.53 121.76 120.72 1fjg s ALA 13 Ca 0.00 0.43 0.06 0.00 0.00 0.00 0.00 51.96 52.45 1fjg s ALA 13 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 1fjg s ALA 13 CO 0.00 -0.08 -0.23 0.08 0.00 0.00 0.00 175.76 175.52 1fjg s VAL 14 N 0.33 2.24 -0.21 0.00 1.01 -1.01 -0.93 120.40 121.83 1fjg s VAL 14 Ca -0.02 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 1fjg s VAL 14 Cb -0.03 -1.81 0.06 0.00 0.00 0.00 0.00 36.38 34.60 1fjg s VAL 14 CO -0.01 0.58 0.04 0.00 0.00 0.00 0.00 175.10 175.70 1fjg s ALA 15 N -0.40 1.10 -0.15 5.51 0.00 0.71 -2.24 121.76 126.29 1fjg s ALA 15 Ca 0.04 -0.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 1fjg s ALA 15 Cb -0.12 -1.24 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 1fjg s ALA 15 CO 0.01 -1.23 1.13 1.03 0.00 0.00 0.00 175.76 176.70 1fjg s ARG 16 N 1.82 4.30 -0.24 0.00 0.52 -0.10 -3.90 118.95 121.35 1fjg s ARG 16 Ca -0.00 1.52 -0.01 0.00 -0.52 0.00 0.00 55.73 56.71 1fjg s ARG 16 Cb -0.17 -3.64 0.03 0.00 0.52 0.00 0.00 34.95 31.68 1fjg s ARG 16 CO -0.10 -0.55 -0.07 0.08 0.02 0.00 0.00 175.30 174.68 1fjg s VAL 17 N 2.85 2.84 -0.77 3.52 1.01 0.02 -0.38 120.40 129.48 1fjg s VAL 17 Ca 0.50 -1.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 1fjg s VAL 17 Cb -0.20 -2.43 0.20 0.00 0.00 0.00 0.00 36.38 33.95 1fjg s VAL 17 CO 0.14 0.21 0.66 -0.36 0.00 0.00 0.00 175.10 175.76 1fjg s PHE 18 N 1.32 3.66 0.45 5.22 0.40 0.49 -1.11 117.98 128.41 1fjg s PHE 18 Ca 0.00 -2.46 -0.23 0.00 -0.60 0.00 0.00 56.93 53.64 1fjg s PHE 18 Cb -0.16 -3.50 -0.07 0.00 0.51 0.00 0.00 43.02 39.79 1fjg s PHE 18 CO -0.05 -0.90 1.19 -0.51 0.70 0.00 0.00 175.22 175.65 1fjg s LEU 19 N -0.21 4.05 0.02 -0.37 1.43 0.50 -2.06 118.68 122.04 1fjg s LEU 19 Ca 0.20 2.37 -0.16 0.00 -1.03 0.00 0.00 54.13 55.50 1fjg s LEU 19 Cb -0.14 -4.18 0.03 0.00 0.03 0.00 0.00 46.19 41.93 1fjg s LEU 19 CO -0.07 -0.91 0.36 -0.13 0.23 0.00 0.00 176.35 175.83 1fjg s ARG 20 N -2.60 0.80 0.26 1.70 0.52 0.13 -0.41 118.95 119.35 1fjg s ARG 20 Ca 0.62 -0.30 -0.29 0.00 -0.52 0.00 0.00 55.73 55.24 1fjg s ARG 20 Cb -0.30 0.35 -0.09 0.00 0.52 0.00 0.00 34.95 35.43 1fjg s ARG 20 CO 0.37 -0.25 1.12 -2.14 0.02 0.00 0.00 175.30 174.42 1fjg s PRO 21 N -1.97 4.61 0.00 3.54 0.02 -1.26 0.22 135.00 140.16 1fjg s PRO 21 Ca -0.09 1.82 0.00 0.00 0.02 0.00 0.00 61.00 62.76 1fjg s PRO 21 Cb -0.02 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.30 1fjg s PRO 21 CO 0.01 0.16 0.00 0.41 -0.33 0.00 0.00 177.00 177.24 1fjg n GLY 22 N 1.33 -0.62 0.00 0.52 0.00 -0.30 -4.57 105.19 101.55 1fjg n GLY 22 Ca -0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1fjg n GLY 22 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1fjg n ASN 23 N 0.20 0.00 0.00 1.61 4.05 -1.26 -3.79 115.26 116.07 1fjg n ASN 23 Ca 0.00 0.64 0.00 0.00 0.45 0.00 0.00 54.58 55.67 1fjg n ASN 23 Cb 0.00 -0.14 0.00 0.00 1.23 0.00 0.00 39.78 40.87 1fjg n ASN 23 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1fjg n GLY 24 N -0.80 -0.12 3.84 8.20 0.00 -0.99 -3.76 105.19 111.57 1fjg n GLY 24 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1fjg n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fjg s LYS 25 N 0.00 3.24 -0.02 1.61 -2.85 -1.26 -4.81 119.74 115.65 1fjg s LYS 25 Ca 0.00 0.87 0.03 0.00 -1.00 0.00 0.00 55.97 55.86 1fjg s LYS 25 Cb 0.00 -2.03 -0.00 0.00 -2.06 0.00 0.00 37.83 33.74 1fjg s LYS 25 CO 0.00 -0.85 -0.09 0.08 0.10 0.00 0.00 175.35 174.58 1fjg s VAL 26 N -3.10 0.78 -0.29 1.79 1.01 -1.26 -2.24 120.40 117.09 1fjg s VAL 26 Ca 0.57 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1fjg s VAL 26 Cb -0.13 -0.68 0.08 0.00 0.00 0.00 0.00 36.38 35.65 1fjg s VAL 26 CO 0.54 0.23 -0.03 -0.89 0.00 0.00 0.00 175.10 174.96 1fjg s THR 27 N 0.03 1.97 -0.39 3.92 2.01 -0.40 -1.07 115.64 121.70 1fjg s THR 27 Ca -0.00 -1.77 -0.12 0.00 0.31 0.00 0.00 61.69 60.10 1fjg s THR 27 Cb -0.07 -2.27 0.03 0.00 0.01 0.00 0.00 72.50 70.21 1fjg s THR 27 CO 0.00 -0.29 0.25 -0.69 -0.69 0.00 0.00 174.62 173.20 1fjg s VAL 28 N 1.14 4.80 -1.35 3.82 1.01 0.64 0.27 120.40 130.72 1fjg s VAL 28 Ca -0.00 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 1fjg s VAL 28 Cb -0.19 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.51 1fjg s VAL 28 CO -0.08 -0.30 1.05 0.59 0.00 0.00 0.00 175.10 176.36 1fjg n ASN 29 N 5.05 -4.48 0.00 3.32 4.13 -0.31 -1.33 115.26 121.64 1fjg n ASN 29 Ca -0.11 -0.64 0.00 0.00 1.68 0.00 0.00 54.58 55.50 1fjg n ASN 29 Cb 0.46 -4.70 0.00 0.00 -1.54 0.00 0.00 39.78 34.00 1fjg n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1fjg n GLY 30 N -1.70 2.33 3.92 7.41 0.00 -1.26 -4.98 105.19 110.91 1fjg n GLY 30 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1fjg n GLY 30 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fjg s GLN 31 N 0.00 3.33 0.31 1.61 -0.21 -0.44 -5.05 119.66 119.21 1fjg s GLN 31 Ca 0.00 -0.69 -0.29 0.00 0.02 0.00 0.00 55.36 54.40 1fjg s GLN 31 Cb 0.00 -2.89 -0.10 0.00 1.00 0.00 0.00 33.01 31.02 1fjg s GLN 31 CO 0.00 0.49 1.36 0.34 -2.12 0.00 0.00 175.29 175.36 1fjg s ASP 32 N -3.37 6.71 0.32 5.90 -1.08 -1.26 -0.26 116.67 123.63 1fjg s ASP 32 Ca 0.34 2.71 0.10 0.00 -0.52 0.00 0.00 52.55 55.17 1fjg s ASP 32 Cb -0.10 -2.64 0.97 0.00 -1.46 0.00 0.00 42.92 39.68 1fjg s ASP 32 CO 0.28 -0.61 1.63 0.15 0.52 0.00 0.00 175.17 177.13 1fjg h PHE 33 N 3.87 0.58 -0.16 -5.34 3.57 -1.43 1.52 116.94 119.55 1fjg h PHE 33 Ca -0.48 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1fjg h PHE 33 Cb 1.22 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.87 1fjg h PHE 33 CO 0.57 -0.29 0.00 0.09 -2.23 0.00 0.00 178.31 176.45 1fjg n ASN 34 N -5.21 1.11 -0.03 0.41 3.02 -1.26 -2.86 115.26 110.43 1fjg n ASN 34 Ca 0.28 -2.04 -0.04 0.00 -0.03 0.00 0.00 54.58 52.75 1fjg n ASN 34 Cb 0.91 -0.19 -0.05 0.00 -0.61 0.00 0.00 39.78 39.84 1fjg n ASN 34 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1fjg n GLU 35 N 0.02 2.15 0.09 3.52 4.07 0.51 -4.19 120.64 126.81 1fjg n GLU 35 Ca 0.06 0.01 -0.06 0.00 -0.06 0.00 0.00 57.16 57.11 1fjg n GLU 35 Cb 0.20 -1.17 0.01 0.00 -0.06 0.00 0.00 31.44 30.42 1fjg n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 1fjg h TYR 36 N 0.00 0.14 -1.65 4.31 3.20 -1.33 -3.30 116.97 118.34 1fjg h TYR 36 Ca -0.18 -0.08 -0.65 0.00 3.14 0.00 0.00 58.73 60.96 1fjg h TYR 36 Cb 1.37 -0.02 -0.37 0.00 1.54 0.00 0.00 36.73 39.25 1fjg h TYR 36 CO 0.00 0.89 -0.13 1.19 -1.64 0.00 0.00 178.16 178.47 1fjg n PHE 37 N -3.62 3.26 -2.49 -3.82 0.99 -1.13 -5.05 117.46 105.60 1fjg n PHE 37 Ca -0.02 -2.84 -0.42 0.00 -0.00 0.00 0.00 57.45 54.18 1fjg n PHE 37 Cb 0.79 -0.46 -0.03 0.00 -1.00 0.00 0.00 39.48 38.78 1fjg n PHE 37 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 1fjg s GLN 38 N -3.72 4.51 -1.00 -1.08 0.74 -1.25 -3.78 119.66 114.08 1fjg s GLN 38 Ca 0.50 1.71 -0.02 0.00 0.05 0.00 0.00 55.36 57.59 1fjg s GLN 38 Cb 0.41 -3.33 0.00 0.00 1.10 0.00 0.00 33.01 31.19 1fjg s GLN 38 CO -0.26 -0.10 0.85 0.41 -0.55 0.00 0.00 175.29 175.64 1fjg n GLY 39 N 2.73 -0.22 2.49 2.59 0.00 -1.26 -5.00 105.19 106.51 1fjg n GLY 39 Ca 0.06 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1fjg n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fjg s LEU 40 N -5.67 1.68 0.22 0.99 1.43 -1.25 -5.01 118.68 111.08 1fjg s LEU 40 Ca 0.14 -2.81 0.07 0.00 -1.03 0.00 0.00 54.13 50.50 1fjg s LEU 40 Cb -0.06 -0.58 0.66 0.00 0.03 0.00 0.00 46.19 46.24 1fjg s LEU 40 CO 0.59 -0.22 1.01 0.52 0.23 0.00 0.00 176.35 178.48 1fjg n VAL 41 N 3.23 -0.27 -0.21 -1.59 0.31 -1.26 0.95 118.33 119.48 1fjg n VAL 41 Ca 0.21 1.36 0.00 0.00 -0.01 0.00 0.00 64.34 65.90 1fjg n VAL 41 Cb 0.42 -2.09 0.11 0.00 -0.91 0.00 0.00 33.84 31.37 1fjg n VAL 41 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1fjg h ARG 42 N 0.00 0.44 -0.00 5.55 2.47 -1.98 -3.30 114.38 117.56 1fjg h ARG 42 Ca 0.46 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.15 1fjg h ARG 42 Cb 1.10 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.32 1fjg h ARG 42 CO -0.55 0.29 -0.00 0.00 0.56 0.00 0.00 179.97 180.27 1fjg n ALA 43 N -2.44 -0.00 -0.35 0.04 0.00 0.27 -0.76 120.51 117.26 1fjg n ALA 43 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.57 1fjg n ALA 43 Cb 0.26 -0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.82 1fjg n ALA 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1fjg n VAL 44 N -4.01 -0.43 -0.31 0.00 0.31 -1.24 -1.52 118.33 111.13 1fjg n VAL 44 Ca 0.00 2.19 0.17 0.00 -0.01 0.00 0.00 64.34 66.69 1fjg n VAL 44 Cb 0.00 -3.00 0.33 0.00 -0.91 0.00 0.00 33.84 30.26 1fjg n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fjg n ALA 45 N -3.61 0.57 -0.59 3.52 0.00 0.06 -1.60 120.51 118.86 1fjg n ALA 45 Ca 0.14 0.97 0.48 0.00 0.00 0.00 0.00 53.44 55.02 1fjg n ALA 45 Cb 0.45 -0.76 0.80 0.00 0.00 0.00 0.00 19.45 19.94 1fjg n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fjg h ALA 46 N 1.82 3.65 -0.22 0.00 0.00 -1.47 0.38 119.26 123.41 1fjg h ALA 46 Ca 0.60 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1fjg h ALA 46 Cb 1.34 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1fjg h ALA 46 CO -0.82 -2.16 0.00 1.28 0.00 0.00 0.00 179.25 177.55 1fjg n LEU 47 N -3.98 2.70 -0.30 0.00 4.77 -0.63 -3.77 117.00 115.79 1fjg n LEU 47 Ca 0.39 -1.46 0.15 0.00 -0.03 0.00 0.00 56.01 55.06 1fjg n LEU 47 Cb 1.79 -0.14 0.41 0.00 -2.33 0.00 0.00 43.42 43.15 1fjg n LEU 47 CO 0.43 0.59 1.21 -0.08 -1.33 0.00 0.00 177.39 178.22 1fjg h GLU 48 N 2.82 0.59 0.00 3.23 4.57 -0.34 0.59 114.58 126.05 1fjg h GLU 48 Ca 0.00 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1fjg h GLU 48 Cb 0.71 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1fjg h GLU 48 CO 0.00 0.39 -0.03 -1.00 -1.18 0.00 0.00 179.01 177.20 1fjg h PRO 49 N 0.61 0.00 -0.02 0.92 0.13 -1.82 -2.07 132.00 129.75 1fjg h PRO 49 Ca 0.51 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.62 1fjg h PRO 49 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1fjg h PRO 49 CO -0.26 0.03 -0.10 -0.07 -0.23 0.00 0.00 178.00 177.37 1fjg h LEU 50 N 0.00 0.13 -2.27 1.56 3.38 -1.23 -3.05 115.31 113.83 1fjg h LEU 50 Ca -0.00 -0.65 0.04 0.00 0.09 0.00 0.00 57.88 57.36 1fjg h LEU 50 Cb 0.17 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1fjg h LEU 50 CO 0.00 0.75 0.14 0.03 0.09 0.00 0.00 178.44 179.45 1fjg h ARG 51 N -0.50 0.00 0.65 1.13 3.08 -1.37 -0.13 114.38 117.25 1fjg h ARG 51 Ca -0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1fjg h ARG 51 Cb 0.75 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 1fjg h ARG 51 CO 0.02 0.00 -0.48 0.00 -1.07 0.00 0.00 179.97 178.44 1fjg h ALA 52 N 1.85 -1.21 -0.58 0.04 0.00 -1.28 -2.95 119.26 115.12 1fjg h ALA 52 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1fjg h ALA 52 Cb 0.34 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1fjg h ALA 52 CO -0.00 -1.20 0.00 1.33 0.00 0.00 0.00 179.25 179.38 1fjg n VAL 53 N -5.40 1.30 -2.65 0.00 0.24 -1.10 -5.00 118.33 105.71 1fjg n VAL 53 Ca -0.13 -0.94 -0.05 0.00 -2.04 0.00 0.00 64.34 61.18 1fjg n VAL 53 Cb 0.47 0.19 -0.04 0.00 -1.47 0.00 0.00 33.84 32.99 1fjg n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1fjg n ASP 54 N 1.09 -1.89 0.00 -1.34 8.00 -0.12 -5.08 116.55 117.21 1fjg n ASP 54 Ca 0.22 1.35 0.00 0.00 0.71 0.00 0.00 54.79 57.06 1fjg n ASP 54 Cb 0.69 -5.11 0.00 0.00 -0.02 0.00 0.00 41.12 36.68 1fjg n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fjg n ALA 55 N 1.60 0.00 -0.87 2.24 0.00 -0.86 -4.93 120.51 117.69 1fjg n ALA 55 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1fjg n ALA 55 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1fjg n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1fjg n LEU 56 N 0.00 0.00 0.00 0.00 0.00 -1.26 -3.18 117.00 112.55 1fjg n LEU 56 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 56.01 56.02 1fjg n LEU 56 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 43.42 43.46 1fjg n LEU 56 CO 0.00 0.00 0.20 0.61 0.00 0.00 0.00 177.39 178.20 1fjg n GLY 57 N 0.00 -0.08 0.31 -3.96 0.00 -1.26 -1.37 105.19 98.84 1fjg n GLY 57 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 1fjg n GLY 57 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1fjg n ARG 58 N -0.79 0.17 -3.19 1.61 0.63 -1.19 -4.76 116.66 109.13 1fjg n ARG 58 Ca 0.01 0.05 -0.20 0.00 -0.92 0.00 0.00 57.85 56.79 1fjg n ARG 58 Cb 0.00 -1.00 0.04 0.00 0.45 0.00 0.00 32.46 31.96 1fjg n ARG 58 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1fjg s PHE 59 N -2.14 1.65 -0.07 -0.14 0.40 -0.47 -1.15 117.98 116.06 1fjg s PHE 59 Ca -0.10 -0.70 -0.06 0.00 -0.60 0.00 0.00 56.93 55.47 1fjg s PHE 59 Cb 0.03 -2.18 0.02 0.00 0.51 0.00 0.00 43.02 41.40 1fjg s PHE 59 CO 0.15 -0.93 0.19 0.34 0.70 0.00 0.00 175.22 175.67 1fjg s ASP 60 N -4.55 -0.19 -0.02 1.36 -1.08 0.59 -2.34 116.67 110.44 1fjg s ASP 60 Ca 0.56 0.38 0.02 0.00 -0.52 0.00 0.00 52.55 53.00 1fjg s ASP 60 Cb -0.06 0.37 0.00 0.00 -1.46 0.00 0.00 42.92 41.78 1fjg s ASP 60 CO 0.35 -0.08 -0.08 0.00 0.52 0.00 0.00 175.17 175.88 1fjg s ALA 61 N 0.28 0.79 -0.16 3.66 0.00 -0.95 0.21 121.76 125.60 1fjg s ALA 61 Ca -0.02 -0.29 -0.08 0.00 0.00 0.00 0.00 51.96 51.58 1fjg s ALA 61 Cb -0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1fjg s ALA 61 CO -0.01 0.12 0.12 -0.47 0.00 0.00 0.00 175.76 175.52 1fjg s TYR 62 N 0.23 3.46 -0.02 0.00 5.04 -0.87 -1.27 117.35 123.91 1fjg s TYR 62 Ca -0.03 0.38 0.01 0.00 -2.44 0.00 0.00 57.07 54.98 1fjg s TYR 62 Cb -0.08 -2.03 0.02 0.00 0.35 0.00 0.00 41.96 40.21 1fjg s TYR 62 CO 0.00 0.48 -0.01 0.42 -1.34 0.00 0.00 175.55 175.11 1fjg s ILE 63 N -0.33 0.20 -0.04 3.14 1.01 0.14 -0.38 121.20 124.94 1fjg s ILE 63 Ca 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.75 1fjg s ILE 63 Cb -0.12 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.06 1fjg s ILE 63 CO 0.01 0.12 0.09 -0.89 0.00 0.00 0.00 174.94 174.27 1fjg s THR 64 N 0.67 4.89 -0.22 2.92 2.01 0.49 -1.16 115.64 125.24 1fjg s THR 64 Ca -0.07 -0.22 -0.08 0.00 0.31 0.00 0.00 61.69 61.63 1fjg s THR 64 Cb -0.10 -3.19 0.10 0.00 0.01 0.00 0.00 72.50 69.32 1fjg s THR 64 CO -0.01 0.45 0.48 0.54 -0.69 0.00 0.00 174.62 175.39 1fjg s VAL 65 N -1.12 -0.67 -0.07 3.82 0.11 -1.26 -0.93 120.40 120.29 1fjg s VAL 65 Ca 0.20 0.12 -0.05 0.00 -2.93 0.00 0.00 61.98 59.32 1fjg s VAL 65 Cb -0.12 -0.75 0.03 0.00 -1.53 0.00 0.00 36.38 34.01 1fjg s VAL 65 CO 0.10 0.05 0.18 -0.60 -3.33 0.00 0.00 175.10 171.50 1fjg s ARG 66 N 2.57 0.18 0.00 1.54 3.52 -0.95 -4.94 118.95 120.86 1fjg s ARG 66 Ca -0.03 0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.90 1fjg s ARG 66 Cb -0.12 -0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.26 1fjg s ARG 66 CO -0.14 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 174.67 1fjg n GLY 67 N 3.52 1.42 5.96 8.12 0.00 -1.26 -2.39 105.19 120.56 1fjg n GLY 67 Ca -0.18 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1fjg n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fjg n GLY 68 N 1.58 0.44 3.34 -0.02 0.00 -1.05 -4.22 105.19 105.26 1fjg n GLY 68 Ca 0.00 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.83 1fjg n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fjg s GLY 69 N 0.00 1.57 0.58 -0.02 0.00 -1.26 -5.03 107.32 103.17 1fjg s GLY 69 Ca 0.00 -1.77 0.32 0.00 0.00 0.00 0.00 44.72 43.27 1fjg s GLY 69 CO 0.00 -1.69 2.20 0.50 0.00 0.00 0.00 173.10 174.11 1fjg h LYS 70 N 2.45 0.00 -0.10 2.90 1.57 -1.98 0.28 116.57 121.69 1fjg h LYS 70 Ca -0.38 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.21 1fjg h LYS 70 Cb 1.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 1fjg h LYS 70 CO 0.65 0.04 -0.72 1.03 -0.57 0.00 0.00 179.45 179.88 1fjg h SER 71 N 0.00 0.57 -0.16 0.86 0.87 -1.99 -1.00 113.55 112.70 1fjg h SER 71 Ca -0.00 -0.37 -0.22 0.00 -1.23 0.00 0.00 61.79 59.98 1fjg h SER 71 Cb 0.15 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1fjg h SER 71 CO 0.01 1.11 -0.74 1.23 -0.53 0.00 0.00 176.83 177.91 1fjg h GLY 72 N 1.14 0.88 1.00 5.77 0.00 -1.54 -3.10 103.07 107.23 1fjg h GLY 72 Ca -0.03 -1.21 -0.01 0.00 0.00 0.00 0.00 47.33 46.08 1fjg h GLY 72 CO 0.13 1.08 0.36 1.46 0.00 0.00 0.00 176.54 179.57 1fjg h GLN 73 N 0.56 0.91 -0.64 4.80 4.20 -0.92 -1.37 115.11 122.64 1fjg h GLN 73 Ca -0.04 -0.10 0.12 0.00 0.06 0.00 0.00 58.65 58.69 1fjg h GLN 73 Cb 1.36 -0.18 -0.09 0.00 0.30 0.00 0.00 27.48 28.88 1fjg h GLN 73 CO 0.15 0.68 0.17 0.82 -0.67 0.00 0.00 178.83 179.98 1fjg h ILE 74 N 0.89 0.63 -0.42 2.54 2.04 -1.15 0.12 117.51 122.16 1fjg h ILE 74 Ca 0.23 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.94 1fjg h ILE 74 Cb 0.03 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1fjg h ILE 74 CO -0.04 0.05 0.06 0.44 0.00 0.00 0.00 178.15 178.67 1fjg h ASP 75 N 0.30 0.68 0.14 1.72 3.32 -1.31 -1.36 116.42 119.91 1fjg h ASP 75 Ca 0.34 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1fjg h ASP 75 Cb 0.52 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1fjg h ASP 75 CO -0.41 0.77 -0.07 0.00 -1.72 0.00 0.00 179.24 177.81 1fjg h ALA 76 N 0.93 -0.19 -0.94 3.45 0.00 -0.36 -1.43 119.26 120.72 1fjg h ALA 76 Ca 0.13 -0.06 0.21 0.00 0.00 0.00 0.00 54.91 55.19 1fjg h ALA 76 Cb 0.38 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.13 1fjg h ALA 76 CO 0.01 -0.58 0.50 0.82 0.00 0.00 0.00 179.25 180.00 1fjg h ILE 77 N -0.24 0.57 0.00 0.00 2.04 -0.75 0.90 117.51 120.04 1fjg h ILE 77 Ca -0.02 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1fjg h ILE 77 Cb 0.19 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1fjg h ILE 77 CO 0.03 0.10 -0.19 0.50 0.00 0.00 0.00 178.15 178.59 1fjg h LYS 78 N 0.56 0.00 0.08 2.37 3.11 -0.24 -0.59 116.57 121.86 1fjg h LYS 78 Ca 0.58 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.41 1fjg h LYS 78 Cb 1.03 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.26 1fjg h LYS 78 CO -0.46 0.19 -0.04 1.25 -2.81 0.00 0.00 179.45 177.58 1fjg h LEU 79 N 0.00 -0.09 -0.68 5.20 6.46 0.16 -2.44 115.31 123.91 1fjg h LEU 79 Ca -0.00 -0.47 0.15 0.00 -0.12 0.00 0.00 57.88 57.43 1fjg h LEU 79 Cb 0.34 0.02 -0.11 0.00 -0.73 0.00 0.00 40.66 40.19 1fjg h LEU 79 CO 0.03 0.58 0.05 1.23 -0.62 0.00 0.00 178.44 179.70 1fjg h GLY 80 N -0.92 0.80 0.97 3.75 0.00 -0.68 0.27 103.07 107.26 1fjg h GLY 80 Ca -0.01 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1fjg h GLY 80 CO 0.02 -0.22 -0.04 -2.22 0.00 0.00 0.00 176.54 174.08 1fjg h ILE 81 N 0.15 0.95 -0.79 2.60 2.04 -1.19 0.13 117.51 121.40 1fjg h ILE 81 Ca 0.37 -0.07 0.10 0.00 1.00 0.00 0.00 64.86 66.26 1fjg h ILE 81 Cb 0.63 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 1fjg h ILE 81 CO -0.56 0.02 0.52 0.00 0.00 0.00 0.00 178.15 178.12 1fjg h ALA 82 N 0.79 1.80 0.25 1.87 0.00 -0.64 -1.46 119.26 121.87 1fjg h ALA 82 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1fjg h ALA 82 Cb 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1fjg h ALA 82 CO 0.02 0.03 -0.12 0.00 0.00 0.00 0.00 179.25 179.18 1fjg h ARG 83 N 0.69 -0.33 -0.55 0.00 3.08 0.08 -3.21 114.38 114.15 1fjg h ARG 83 Ca 0.37 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.55 1fjg h ARG 83 Cb 0.49 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.53 1fjg h ARG 83 CO -0.14 0.02 0.04 0.00 -1.07 0.00 0.00 179.97 178.82 1fjg h ALA 84 N -0.50 0.57 -1.14 0.04 0.00 -0.85 0.18 119.26 117.55 1fjg h ALA 84 Ca -0.03 0.15 0.41 0.00 0.00 0.00 0.00 54.91 55.44 1fjg h ALA 84 Cb 0.50 0.25 -0.16 0.00 0.00 0.00 0.00 17.79 18.38 1fjg h ALA 84 CO 0.06 -0.37 0.68 -0.07 0.00 0.00 0.00 179.25 179.55 1fjg h LEU 85 N 0.16 0.32 -0.47 0.00 4.07 -1.31 0.48 115.31 118.55 1fjg h LEU 85 Ca 0.29 0.20 -0.17 0.00 0.08 0.00 0.00 57.88 58.28 1fjg h LEU 85 Cb 0.44 0.19 -0.00 0.00 1.08 0.00 0.00 40.66 42.37 1fjg h LEU 85 CO -0.44 -0.29 -0.58 0.58 -1.08 0.00 0.00 178.44 176.63 1fjg h VAL 86 N 0.08 1.32 -0.13 1.22 2.07 -0.65 -2.55 116.25 117.62 1fjg h VAL 86 Ca 0.83 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1fjg h VAL 86 Cb 2.31 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 33.89 1fjg h VAL 86 CO -0.61 0.57 0.05 1.56 0.02 0.00 0.00 177.57 179.17 1fjg h GLN 87 N 0.43 0.19 -0.70 1.57 4.20 0.05 0.20 115.11 121.05 1fjg h GLN 87 Ca 0.00 -0.03 0.13 0.00 0.06 0.00 0.00 58.65 58.81 1fjg h GLN 87 Cb 1.14 -0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.80 1fjg h GLN 87 CO 0.11 0.28 0.24 -0.92 -0.67 0.00 0.00 178.83 177.87 1fjg h TYR 88 N 0.05 0.41 -1.92 2.96 3.20 -1.36 -3.37 116.97 116.94 1fjg h TYR 88 Ca 0.04 0.04 -0.26 0.00 3.14 0.00 0.00 58.73 61.69 1fjg h TYR 88 Cb 0.16 -0.08 -0.31 0.00 1.54 0.00 0.00 36.73 38.05 1fjg h TYR 88 CO -0.02 0.04 -0.59 1.21 -1.64 0.00 0.00 178.16 177.16 1fjg s ASN 89 N -5.34 1.01 0.32 -2.11 3.84 -0.97 -5.02 114.94 106.68 1fjg s ASN 89 Ca -0.13 -0.59 0.07 0.00 0.21 0.00 0.00 52.86 52.42 1fjg s ASN 89 Cb 0.19 0.81 0.75 0.00 -0.55 0.00 0.00 41.25 42.46 1fjg s ASN 89 CO 0.75 -0.37 1.82 1.55 -2.79 0.00 0.00 177.10 178.07 1fjg h PRO 90 N 8.18 0.74 0.00 0.43 0.13 -0.79 -0.28 132.00 140.42 1fjg h PRO 90 Ca -0.10 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1fjg h PRO 90 Cb 1.10 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1fjg h PRO 90 CO 0.30 0.49 0.08 -0.25 -0.23 0.00 0.00 178.00 178.39 1fjg n ASP 91 N -4.65 0.00 -0.15 1.44 9.92 -1.26 -1.63 116.55 120.22 1fjg n ASP 91 Ca 0.21 0.32 -0.12 0.00 -0.53 0.00 0.00 54.79 54.67 1fjg n ASP 91 Cb 0.51 -0.32 -0.01 0.00 -0.64 0.00 0.00 41.12 40.67 1fjg n ASP 91 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 1fjg h TYR 92 N 0.00 1.04 -0.95 1.24 0.99 -1.36 -3.27 116.97 114.66 1fjg h TYR 92 Ca 0.00 -0.25 0.09 0.00 2.00 0.00 0.00 58.73 60.57 1fjg h TYR 92 Cb 0.16 -0.24 -0.12 0.00 1.00 0.00 0.00 36.73 37.53 1fjg h TYR 92 CO 0.00 1.04 -0.55 0.54 -0.00 0.00 0.00 178.16 179.19 1fjg n ARG 93 N -4.19 -0.40 0.27 4.88 1.74 -0.65 0.35 116.66 118.65 1fjg n ARG 93 Ca -0.01 1.43 0.02 0.00 -0.77 0.00 0.00 57.85 58.53 1fjg n ARG 93 Cb 0.43 -2.10 0.12 0.00 -1.02 0.00 0.00 32.46 29.89 1fjg n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fjg h ALA 94 N 0.52 1.73 0.00 7.54 0.00 -1.78 0.14 119.26 127.40 1fjg h ALA 94 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1fjg h ALA 94 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1fjg h ALA 94 CO -0.89 -0.73 -0.67 1.63 0.00 0.00 0.00 179.25 178.59 1fjg n LYS 95 N -2.30 2.00 0.12 0.00 4.76 0.13 -4.66 118.16 118.20 1fjg n LYS 95 Ca -0.00 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.48 1fjg n LYS 95 Cb 0.81 -0.84 0.01 0.00 -1.84 0.00 0.00 35.03 33.18 1fjg n LYS 95 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1fjg h LEU 96 N 0.00 0.00 0.12 -0.35 5.85 0.24 -3.36 115.31 117.80 1fjg h LEU 96 Ca 0.00 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.43 1fjg h LEU 96 Cb 0.04 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 1fjg h LEU 96 CO 0.00 0.40 -1.40 0.11 -0.34 0.00 0.00 178.44 177.20 1fjg h LYS 97 N 0.00 0.24 0.00 1.25 1.57 -1.10 -3.31 116.57 115.23 1fjg h LYS 97 Ca -0.05 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1fjg h LYS 97 Cb 1.34 0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.81 1fjg h LYS 97 CO 0.04 1.14 0.17 -0.35 -0.57 0.00 0.00 179.45 179.88 1fjg n PRO 98 N -3.47 0.06 0.01 3.15 -0.04 -1.26 0.23 135.00 133.68 1fjg n PRO 98 Ca -0.13 0.49 0.11 0.00 -0.04 0.00 0.00 63.50 63.93 1fjg n PRO 98 Cb 1.03 -1.87 -0.10 0.00 -0.04 0.00 0.00 33.50 32.53 1fjg n PRO 98 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1fjg n LEU 99 N -1.78 0.49 -0.00 1.53 7.99 -1.24 -4.99 117.00 118.99 1fjg n LEU 99 Ca -0.01 -0.14 -0.00 0.00 -0.01 0.00 0.00 56.01 55.85 1fjg n LEU 99 Cb 0.19 -0.03 -0.00 0.00 -0.11 0.00 0.00 43.42 43.47 1fjg n LEU 99 CO 0.04 0.08 -0.00 0.61 -1.51 0.00 0.00 177.39 176.61 1fjg n GLY 100 N 1.36 0.48 0.32 -0.72 0.00 0.62 -4.91 105.19 102.34 1fjg n GLY 100 Ca 0.00 -0.16 0.17 0.00 0.00 0.00 0.00 46.02 46.03 1fjg n GLY 100 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1fjg h PHE 101 N 0.00 0.00 -0.21 1.61 0.05 -1.77 0.52 116.94 117.14 1fjg h PHE 101 Ca -0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1fjg h PHE 101 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.96 1fjg h PHE 101 CO 0.00 0.00 0.00 1.28 -0.18 0.00 0.00 178.31 179.41 1fjg n LEU 102 N -3.63 1.31 -4.84 1.54 4.77 -1.26 -4.63 117.00 110.26 1fjg n LEU 102 Ca -0.01 -0.62 -0.38 0.00 -0.03 0.00 0.00 56.01 54.98 1fjg n LEU 102 Cb 0.21 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1fjg n LEU 102 CO 0.25 0.31 0.04 -0.89 -1.33 0.00 0.00 177.39 175.77 1fjg s THR 103 N -1.73 5.16 -0.53 -5.08 2.01 0.17 -5.05 115.64 110.60 1fjg s THR 103 Ca 0.22 0.68 -0.18 0.00 0.31 0.00 0.00 61.69 62.72 1fjg s THR 103 Cb 0.12 -3.64 0.07 0.00 0.01 0.00 0.00 72.50 69.06 1fjg s THR 103 CO 0.17 0.57 0.61 -0.60 -0.69 0.00 0.00 174.62 174.67 1fjg s ARG 104 N -0.91 3.08 -0.22 4.92 3.00 -1.26 -5.00 118.95 122.56 1fjg s ARG 104 Ca 0.21 -1.09 -0.34 0.00 -1.00 0.00 0.00 55.73 53.51 1fjg s ARG 104 Cb -0.15 -4.15 -0.11 0.00 0.00 0.00 0.00 34.95 30.54 1fjg s ARG 104 CO 0.11 -1.28 2.06 -3.47 0.00 0.00 0.00 175.30 172.71 1fjg n ASP 105 N 6.05 2.86 -0.73 -2.12 -0.08 -1.26 -4.84 116.55 116.43 1fjg n ASP 105 Ca -0.08 0.62 0.10 0.00 -1.51 0.00 0.00 54.79 53.91 1fjg n ASP 105 Cb 0.44 -1.35 0.29 0.00 2.34 0.00 0.00 41.12 42.84 1fjg n ASP 105 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fjg n ALA 106 N 8.76 2.48 -1.88 -1.67 0.00 -1.26 -4.39 120.51 122.56 1fjg n ALA 106 Ca 0.31 -0.67 -0.42 0.00 0.00 0.00 0.00 53.44 52.66 1fjg n ALA 106 Cb 0.29 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 1fjg n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1fjg s ARG 107 N -1.64 4.19 0.01 0.00 0.52 -1.26 -4.99 118.95 115.79 1fjg s ARG 107 Ca 0.33 2.42 -0.08 0.00 -0.52 0.00 0.00 55.73 57.88 1fjg s ARG 107 Cb 0.18 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 32.46 1fjg s ARG 107 CO 0.25 -0.66 0.16 0.08 0.02 0.00 0.00 175.30 175.15 1fjg s VAL 108 N 1.33 0.09 -0.18 3.52 1.01 -1.26 -4.38 120.40 120.53 1fjg s VAL 108 Ca 0.72 -0.78 -0.36 0.00 0.00 0.00 0.00 61.98 61.56 1fjg s VAL 108 Cb -0.45 -0.62 -0.13 0.00 0.00 0.00 0.00 36.38 35.19 1fjg s VAL 108 CO 0.32 -0.43 1.87 0.52 0.00 0.00 0.00 175.10 177.38 1fjg n VAL 109 N 1.17 0.45 -2.42 2.92 0.31 -1.26 -4.90 118.33 114.60 1fjg n VAL 109 Ca -0.21 -0.11 -0.41 0.00 -0.01 0.00 0.00 64.34 63.60 1fjg n VAL 109 Cb 0.57 -1.63 -0.04 0.00 -0.91 0.00 0.00 33.84 31.82 1fjg n VAL 109 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1fjg s GLU 110 N 4.13 4.55 0.39 5.55 2.12 -1.26 -4.99 118.70 129.20 1fjg s GLU 110 Ca 0.96 1.83 -0.25 0.00 0.36 0.00 0.00 54.97 57.88 1fjg s GLU 110 Cb -0.84 -3.23 -0.11 0.00 0.26 0.00 0.00 34.13 30.21 1fjg s GLU 110 CO 0.57 0.03 1.07 -2.13 -0.54 0.00 0.00 175.26 174.25 1fjg n ARG 111 N 2.02 1.49 -2.68 4.30 0.00 -1.26 -4.87 116.66 115.66 1fjg n ARG 111 Ca 0.02 0.53 -0.42 0.00 -0.00 0.00 0.00 57.85 57.98 1fjg n ARG 111 Cb 0.45 -2.08 -0.03 0.00 0.00 0.00 0.00 32.46 30.80 1fjg n ARG 111 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1fjg s LYS 112 N -1.95 3.32 0.39 -0.14 2.36 -1.26 -4.22 119.74 118.23 1fjg s LYS 112 Ca 0.61 -0.18 -0.25 0.00 -2.55 0.00 0.00 55.97 53.60 1fjg s LYS 112 Cb -0.57 -4.10 -0.09 0.00 -1.05 0.00 0.00 37.83 32.02 1fjg s LYS 112 CO 0.58 -1.77 1.09 0.15 1.55 0.00 0.00 175.35 176.95 1fjg s LYS 113 N 4.75 4.17 0.75 4.03 3.01 -1.26 -4.75 119.74 130.44 1fjg s LYS 113 Ca 0.34 1.64 -0.11 0.00 -1.01 0.00 0.00 55.97 56.83 1fjg s LYS 113 Cb -0.10 -2.64 0.04 0.00 -1.01 0.00 0.00 37.83 34.11 1fjg s LYS 113 CO 0.19 -0.17 1.08 1.52 0.51 0.00 0.00 175.35 178.48 1fjg s TYR 114 N -1.53 2.97 0.00 3.18 -0.85 -1.26 -3.43 117.35 116.42 1fjg s TYR 114 Ca 0.56 1.27 0.00 0.00 -0.52 0.00 0.00 57.07 58.38 1fjg s TYR 114 Cb -0.26 -3.01 0.00 0.00 0.38 0.00 0.00 41.96 39.07 1fjg s TYR 114 CO 0.32 -1.52 0.00 0.41 -1.52 0.00 0.00 175.55 173.24 1fjg n GLY 115 N -2.07 2.07 3.97 5.49 0.00 -1.26 -4.95 105.19 108.44 1fjg n GLY 115 Ca 0.07 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 1fjg n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fjg s LYS 116 N 0.00 2.52 0.23 1.61 1.02 -1.22 -4.57 119.74 119.34 1fjg s LYS 116 Ca 0.00 -0.73 0.19 0.00 0.02 0.00 0.00 55.97 55.45 1fjg s LYS 116 Cb 0.00 -2.46 0.05 0.00 -0.52 0.00 0.00 37.83 34.90 1fjg s LYS 116 CO 0.00 -0.75 1.20 0.45 -0.92 0.00 0.00 175.35 175.33 1fjg h HIS 117 N 0.02 0.00 0.00 3.18 3.86 0.76 -3.43 115.15 119.54 1fjg h HIS 117 Ca -0.42 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.56 1fjg h HIS 117 Cb 1.30 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.62 1fjg h HIS 117 CO 0.37 0.27 -0.37 1.63 0.86 0.00 0.00 177.93 180.69 1fjg n LYS 118 N -2.95 1.10 0.00 2.45 5.02 -1.15 -4.92 118.16 117.71 1fjg n LYS 118 Ca -0.01 -1.83 0.00 0.00 -2.02 0.00 0.00 58.31 54.45 1fjg n LYS 118 Cb 0.67 -0.42 0.00 0.00 -0.02 0.00 0.00 35.03 35.25 1fjg n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fjg n ALA 119 N -0.21 0.00 0.00 7.82 0.00 -1.26 -3.84 120.51 123.01 1fjg n ALA 119 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1fjg n ALA 119 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.24 1fjg n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fjg n ARG 120 N 0.00 0.00 -1.50 0.00 1.74 -1.26 -4.60 116.66 111.04 1fjg n ARG 120 Ca 0.00 0.00 -0.59 0.00 -0.77 0.00 0.00 57.85 56.49 1fjg n ARG 120 Cb 0.00 -0.28 -0.09 0.00 -1.02 0.00 0.00 32.46 31.07 1fjg n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1fjg n ARG 121 N -2.51 0.48 -3.70 5.56 0.00 -1.25 -4.73 116.66 110.51 1fjg n ARG 121 Ca 0.00 0.15 -0.36 0.00 -0.00 0.00 0.00 57.85 57.64 1fjg n ARG 121 Cb 0.18 -1.84 -0.07 0.00 0.00 0.00 0.00 32.46 30.73 1fjg n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1fjg s ALA 122 N 5.13 3.71 0.60 5.13 0.00 -1.26 0.13 121.76 135.19 1fjg s ALA 122 Ca 1.10 -0.59 -0.18 0.00 0.00 0.00 0.00 51.96 52.29 1fjg s ALA 122 Cb -1.27 -2.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 1fjg s ALA 122 CO 0.66 0.26 0.88 -0.35 0.00 0.00 0.00 175.76 177.21 1fjg n PRO 123 N 3.09 0.81 -3.73 0.00 -0.04 -1.26 -4.87 135.00 129.00 1fjg n PRO 123 Ca -0.16 0.32 -0.27 0.00 -0.04 0.00 0.00 63.50 63.35 1fjg n PRO 123 Cb 0.53 -2.08 -0.03 0.00 -0.04 0.00 0.00 33.50 31.88 1fjg n PRO 123 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1fjg s GLN 124 N -2.63 3.51 0.09 0.54 -2.07 -1.26 -5.06 119.66 112.77 1fjg s GLN 124 Ca 0.75 -0.38 0.09 0.00 -1.82 0.00 0.00 55.36 54.00 1fjg s GLN 124 Cb -0.42 -2.86 -0.04 0.00 -1.09 0.00 0.00 33.01 28.61 1fjg s GLN 124 CO 0.48 0.42 -0.23 1.52 -1.32 0.00 0.00 175.29 176.16 1fjg s TYR 125 N -1.85 2.41 0.00 9.60 -0.85 -1.26 -5.13 117.35 120.27 1fjg s TYR 125 Ca 0.38 -0.34 0.00 0.00 -0.52 0.00 0.00 57.07 56.59 1fjg s TYR 125 Cb -0.11 -1.35 0.00 0.00 0.38 0.00 0.00 41.96 40.88 1fjg s TYR 125 CO 0.29 0.28 0.00 -1.13 -1.52 0.00 0.00 175.55 173.46 1fjg n SER 126 N 1.25 0.00 -3.81 -0.18 3.41 -1.26 -4.68 113.62 108.35 1fjg n SER 126 Ca -0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.03 1fjg n SER 126 Cb 0.52 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 1fjg n SER 126 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1fjg n LYS 127 N 0.00 2.07 0.00 4.33 4.01 -1.26 -5.35 118.16 121.97 1fjg n LYS 127 Ca 0.00 -2.25 0.00 0.00 -0.51 0.00 0.00 58.31 55.55 1fjg n LYS 127 Cb 0.00 -3.15 0.00 0.00 -0.51 0.00 0.00 35.03 31.37 1fjg n LYS 127 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16