#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fic s ARG 12 N 0.00 4.13 0.03 1.97 3.52 -1.26 -5.07 118.95 122.27 3fic s ARG 12 Ca 0.00 0.16 0.07 0.00 -0.13 0.00 0.00 55.73 55.83 3fic s ARG 12 Cb 0.00 -3.57 -0.03 0.00 -1.56 0.00 0.00 34.95 29.79 3fic s ARG 12 CO 0.00 -0.11 -0.21 -0.65 -0.81 0.00 0.00 175.30 173.52 3fic s GLN 13 N 1.54 2.03 0.01 5.12 -0.21 -1.26 -5.13 119.66 121.77 3fic s GLN 13 Ca 0.18 -0.99 -0.05 0.00 0.02 0.00 0.00 55.36 54.52 3fic s GLN 13 Cb -0.15 -2.13 -0.01 0.00 1.00 0.00 0.00 33.01 31.72 3fic s GLN 13 CO 0.08 0.54 0.08 0.14 -2.12 0.00 0.00 175.29 174.01 3fic s VAL 14 N -0.86 0.10 -0.10 1.09 -7.23 -1.24 -5.06 120.40 107.11 3fic s VAL 14 Ca 0.13 -0.82 0.20 0.00 -1.81 0.00 0.00 61.98 59.69 3fic s VAL 14 Cb -0.10 -0.45 -0.29 0.00 0.56 0.00 0.00 36.38 36.10 3fic s VAL 14 CO 0.04 -0.45 0.38 0.00 -0.31 0.00 0.00 175.10 174.76 3fic n ALA 15 N 1.39 2.32 -2.68 1.32 0.00 -0.86 -4.04 120.51 117.96 3fic n ALA 15 Ca -0.23 -0.78 -0.42 0.00 0.00 0.00 0.00 53.44 52.01 3fic n ALA 15 Cb 0.56 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 19.39 3fic n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3fic s SER 16 N -4.94 6.23 0.22 0.00 0.15 -1.26 0.59 113.70 114.69 3fic s SER 16 Ca -0.08 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 55.74 3fic s SER 16 Cb 0.11 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 3fic s SER 16 CO 0.87 -1.62 0.04 0.61 1.20 0.00 0.00 173.24 174.34 3fic n GLY 17 N 5.53 3.72 2.96 9.45 0.00 0.96 -4.10 105.19 123.71 3fic n GLY 17 Ca 0.05 -2.27 -0.17 0.00 0.00 0.00 0.00 46.02 43.64 3fic n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fic s ARG 18 N -2.81 0.51 -0.04 1.61 3.52 -1.12 -1.78 118.95 118.83 3fic s ARG 18 Ca 0.03 -0.19 0.06 0.00 -0.13 0.00 0.00 55.73 55.49 3fic s ARG 18 Cb -0.00 -0.50 -0.01 0.00 -1.56 0.00 0.00 34.95 32.87 3fic s ARG 18 CO 0.02 0.10 -0.22 0.00 -0.81 0.00 0.00 175.30 174.39 3fic s ALA 19 N 0.01 1.86 -0.01 6.12 0.00 0.20 0.15 121.76 130.08 3fic s ALA 19 Ca 0.00 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.14 3fic s ALA 19 Cb -0.04 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 3fic s ALA 19 CO -0.00 0.37 -0.24 0.71 0.00 0.00 0.00 175.76 176.60 3fic s TYR 20 N -0.16 2.15 -0.08 0.00 1.51 0.18 -0.24 117.35 120.70 3fic s TYR 20 Ca -0.01 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.68 3fic s TYR 20 Cb -0.12 -1.38 0.00 0.00 -0.11 0.00 0.00 41.96 40.36 3fic s TYR 20 CO 0.02 -0.03 -0.20 0.42 -1.11 0.00 0.00 175.55 174.66 3fic s ILE 21 N -0.58 1.74 -0.27 2.71 1.09 -0.15 -0.84 121.20 124.90 3fic s ILE 21 Ca 0.09 -0.84 0.01 0.00 -1.10 0.00 0.00 60.65 58.81 3fic s ILE 21 Cb -0.09 -1.52 0.05 0.00 -1.06 0.00 0.00 42.46 39.84 3fic s ILE 21 CO -0.01 0.49 -0.07 -2.28 -0.10 0.00 0.00 174.94 172.98 3fic s HIS 22 N 0.41 3.23 -1.04 3.97 2.46 0.60 -1.63 115.29 123.27 3fic s HIS 22 Ca -0.16 -2.04 -0.13 0.00 0.47 0.00 0.00 55.06 53.20 3fic s HIS 22 Cb -0.17 -2.01 0.21 0.00 -0.13 0.00 0.00 32.58 30.48 3fic s HIS 22 CO 0.07 -0.83 1.12 0.00 -2.47 0.00 0.00 174.74 172.63 3fic s ALA 23 N 1.19 4.18 -0.24 1.58 0.00 -1.03 -1.90 121.76 125.54 3fic s ALA 23 Ca -0.06 -3.43 -0.16 0.00 0.00 0.00 0.00 51.96 48.31 3fic s ALA 23 Cb -0.19 -3.78 -0.04 0.00 0.00 0.00 0.00 23.12 19.11 3fic s ALA 23 CO -0.04 -2.49 0.42 0.45 0.00 0.00 0.00 175.76 174.10 3fic s SER 24 N 2.27 6.38 0.65 0.00 0.15 -0.87 -4.28 113.70 118.00 3fic s SER 24 Ca 0.31 0.44 0.12 0.00 0.70 0.00 0.00 55.95 57.52 3fic s SER 24 Cb -0.07 -2.24 0.55 0.00 -1.71 0.00 0.00 66.02 62.55 3fic s SER 24 CO -0.06 -0.16 1.28 1.88 1.20 0.00 0.00 173.24 177.38 3fic h TYR 25 N 7.78 0.00 0.00 3.44 -1.99 -1.95 1.02 116.97 125.27 3fic h TYR 25 Ca -0.33 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.40 3fic h TYR 25 Cb 1.16 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.89 3fic h TYR 25 CO 0.72 0.00 -1.15 0.09 -0.00 0.00 0.00 178.16 177.82 3fic n ASN 26 N -2.75 0.61 0.00 3.88 3.02 -1.26 -4.68 115.26 114.08 3fic n ASN 26 Ca 0.03 -0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 3fic n ASN 26 Cb 0.92 1.02 0.00 0.00 -0.61 0.00 0.00 39.78 41.11 3fic n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3fic n ASN 27 N -1.88 0.00 -4.37 6.41 5.15 0.35 -3.50 115.26 117.42 3fic n ASN 27 Ca 0.02 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.69 3fic n ASN 27 Cb 0.43 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.53 3fic n ASN 27 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3fic s THR 28 N -1.99 2.35 -0.00 -0.44 2.01 -1.24 -2.05 115.64 114.28 3fic s THR 28 Ca 0.00 -1.24 0.00 0.00 0.31 0.00 0.00 61.69 60.76 3fic s THR 28 Cb 0.00 -1.92 0.00 0.00 0.01 0.00 0.00 72.50 70.60 3fic s THR 28 CO 0.00 0.42 -0.01 0.27 -0.69 0.00 0.00 174.62 174.60 3fic s ILE 29 N -0.79 0.12 -0.07 1.82 -4.36 -0.80 -2.01 121.20 115.10 3fic s ILE 29 Ca 0.12 -0.04 0.04 0.00 -0.26 0.00 0.00 60.65 60.51 3fic s ILE 29 Cb -0.10 -0.12 -0.01 0.00 1.25 0.00 0.00 42.46 43.47 3fic s ILE 29 CO 0.02 0.05 -0.21 0.68 0.24 0.00 0.00 174.94 175.72 3fic s VAL 30 N 0.09 2.43 -0.08 8.37 -7.23 0.35 -0.29 120.40 124.04 3fic s VAL 30 Ca -0.01 -0.93 0.01 0.00 -1.81 0.00 0.00 61.98 59.25 3fic s VAL 30 Cb -0.02 -1.93 0.02 0.00 0.56 0.00 0.00 36.38 35.01 3fic s VAL 30 CO -0.00 0.57 -0.10 0.28 -0.31 0.00 0.00 175.10 175.53 3fic s THR 31 N -0.17 1.06 -0.26 5.32 -1.32 -0.02 -0.64 115.64 119.61 3fic s THR 31 Ca -0.02 -0.38 -0.10 0.00 -1.21 0.00 0.00 61.69 59.97 3fic s THR 31 Cb -0.14 -1.02 -0.05 0.00 -1.51 0.00 0.00 72.50 69.79 3fic s THR 31 CO 0.04 0.35 0.17 -0.63 -2.21 0.00 0.00 174.62 172.34 3fic s ILE 32 N 1.09 5.24 0.00 5.08 1.01 0.18 -0.65 121.20 133.15 3fic s ILE 32 Ca -0.07 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.73 3fic s ILE 32 Cb -0.14 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.85 3fic s ILE 32 CO -0.01 0.29 0.00 0.35 0.00 0.00 0.00 174.94 175.57 3fic n THR 33 N 4.77 0.00 -3.80 2.92 -2.24 0.38 -0.82 114.28 115.50 3fic n THR 33 Ca -0.15 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 3fic n THR 33 Cb 0.52 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.74 3fic n THR 33 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3fic n ASP 34 N 0.00 -1.02 -0.30 3.42 3.85 -0.90 -2.80 116.55 118.81 3fic n ASP 34 Ca 0.00 -2.18 0.25 0.00 -0.71 0.00 0.00 54.79 52.14 3fic n ASP 34 Cb 0.00 1.83 0.46 0.00 -1.35 0.00 0.00 41.12 42.06 3fic n ASP 34 CO 0.00 0.00 0.00 -2.65 -1.01 0.00 0.00 177.20 173.54 3fic n PRO 35 N -0.37 -0.06 0.03 0.11 -0.02 -1.26 0.10 135.00 133.54 3fic n PRO 35 Ca -0.01 1.28 0.13 0.00 -2.02 0.00 0.00 63.50 62.87 3fic n PRO 35 Cb 0.38 -2.22 0.35 0.00 -0.02 0.00 0.00 33.50 31.99 3fic n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3fic n ASP 36 N -5.12 0.45 0.00 2.55 10.43 -1.26 -4.92 116.55 118.68 3fic n ASP 36 Ca 0.31 0.15 0.00 0.00 2.57 0.00 0.00 54.79 57.81 3fic n ASP 36 Cb 1.03 -0.10 0.00 0.00 1.84 0.00 0.00 41.12 43.89 3fic n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fic n GLY 37 N 1.44 0.74 3.77 0.44 0.00 0.29 -5.03 105.19 106.83 3fic n GLY 37 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3fic n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fic s ASN 38 N -2.54 6.35 0.69 1.61 0.02 -1.26 -4.53 114.94 115.29 3fic s ASN 38 Ca 0.00 2.77 -0.14 0.00 -1.02 0.00 0.00 52.86 54.47 3fic s ASN 38 Cb 0.00 -2.65 0.02 0.00 0.02 0.00 0.00 41.25 38.64 3fic s ASN 38 CO 0.00 -0.83 1.11 -2.84 0.02 0.00 0.00 177.10 174.55 3fic s PRO 39 N -2.15 2.62 0.10 -0.60 0.02 -1.26 -2.12 135.00 131.61 3fic s PRO 39 Ca 0.55 1.33 0.00 0.00 0.02 0.00 0.00 61.00 62.90 3fic s PRO 39 Cb -0.41 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.18 3fic s PRO 39 CO 0.53 -1.38 0.00 -0.89 -0.33 0.00 0.00 177.00 174.93 3fic n ILE 40 N -2.76 1.15 -3.84 2.83 2.08 0.00 -4.89 119.36 113.93 3fic n ILE 40 Ca 0.10 0.38 -0.10 0.00 0.56 0.00 0.00 62.75 63.69 3fic n ILE 40 Cb 0.52 -1.53 -0.06 0.00 -0.75 0.00 0.00 39.64 37.82 3fic n ILE 40 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 3fic s THR 41 N -1.95 0.06 0.24 1.39 2.01 -1.07 -5.04 115.64 111.29 3fic s THR 41 Ca 0.00 -1.07 -0.09 0.00 0.31 0.00 0.00 61.69 60.83 3fic s THR 41 Cb 0.00 -1.62 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 3fic s THR 41 CO 0.00 -0.28 0.40 -1.66 -0.69 0.00 0.00 174.62 172.38 3fic s TRP 42 N -3.91 0.60 0.08 4.92 1.48 -1.26 -0.65 118.94 120.20 3fic s TRP 42 Ca 0.11 -0.92 -0.26 0.00 -1.06 0.00 0.00 56.10 53.98 3fic s TRP 42 Cb 0.02 -0.01 0.08 0.00 -1.16 0.00 0.00 33.47 32.40 3fic s TRP 42 CO -0.04 -0.92 0.84 0.45 -4.06 0.00 0.00 176.95 173.22 3fic s SER 43 N -3.07 -0.35 0.23 -2.66 0.15 0.19 -4.76 113.70 103.42 3fic s SER 43 Ca 0.27 -0.14 -0.22 0.00 0.70 0.00 0.00 55.95 56.56 3fic s SER 43 Cb 0.01 0.48 0.06 0.00 -1.71 0.00 0.00 66.02 64.86 3fic s SER 43 CO 0.10 -0.81 0.92 -0.94 1.20 0.00 0.00 173.24 173.72 3fic s SER 44 N -2.67 -0.09 0.19 5.45 1.04 -1.26 -0.49 113.70 115.86 3fic s SER 44 Ca 0.06 -0.67 -0.22 0.00 0.48 0.00 0.00 55.95 55.61 3fic s SER 44 Cb -0.01 0.60 0.11 0.00 0.10 0.00 0.00 66.02 66.81 3fic s SER 44 CO -0.06 -1.15 1.58 1.23 0.98 0.00 0.00 173.24 175.82 3fic h GLY 45 N 2.00 -0.19 2.00 7.32 0.00 -1.68 0.37 103.07 112.89 3fic h GLY 45 Ca -0.26 0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 3fic h GLY 45 CO 0.32 -0.19 -0.00 -1.33 0.00 0.00 0.00 176.54 175.33 3fic h GLY 46 N -0.17 0.00 1.25 4.60 0.00 -1.89 -0.95 103.07 105.91 3fic h GLY 46 Ca 0.23 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.66 3fic h GLY 46 CO -0.71 0.00 0.28 -2.08 0.00 0.00 0.00 176.54 174.03 3fic h VAL 47 N 0.00 0.84 -2.00 4.60 2.07 -0.49 -3.41 116.25 117.86 3fic h VAL 47 Ca -0.00 -0.02 -0.48 0.00 0.82 0.00 0.00 66.70 67.02 3fic h VAL 47 Cb 0.00 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3fic h VAL 47 CO 0.00 0.01 -0.44 -0.63 0.02 0.00 0.00 177.57 176.53 3fic s ILE 48 N -5.09 4.22 0.46 4.57 -1.09 -0.36 -4.95 121.20 118.96 3fic s ILE 48 Ca -0.05 -1.23 0.41 0.00 -2.23 0.00 0.00 60.65 57.55 3fic s ILE 48 Cb 0.19 -3.42 0.60 0.00 -1.58 0.00 0.00 42.46 38.25 3fic s ILE 48 CO 0.72 -0.25 1.31 0.61 -1.23 0.00 0.00 174.94 176.10 3fic n GLY 49 N -1.39 -0.82 3.77 6.18 0.00 -1.26 -4.53 105.19 107.14 3fic n GLY 49 Ca -0.04 0.59 -0.39 0.00 0.00 0.00 0.00 46.02 46.17 3fic n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fic s TYR 50 N -4.60 2.72 -0.29 1.61 4.12 -1.26 -5.02 117.35 114.64 3fic s TYR 50 Ca -0.04 1.40 -0.12 0.00 0.02 0.00 0.00 57.07 58.32 3fic s TYR 50 Cb 0.23 -3.69 0.11 0.00 -1.52 0.00 0.00 41.96 37.09 3fic s TYR 50 CO 0.74 -2.23 0.66 0.21 0.02 0.00 0.00 175.55 174.95 3fic s LYS 51 N -2.37 0.62 0.00 -0.62 2.20 -1.26 -3.45 119.74 114.87 3fic s LYS 51 Ca 0.59 1.36 0.00 0.00 -0.36 0.00 0.00 55.97 57.56 3fic s LYS 51 Cb -0.38 0.59 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 3fic s LYS 51 CO 0.49 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.71 3fic n GLY 52 N 5.01 0.18 0.08 5.54 0.00 -1.26 -4.54 105.19 110.21 3fic n GLY 52 Ca -0.15 -1.22 -0.07 0.00 0.00 0.00 0.00 46.02 44.58 3fic n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fic n SER 53 N 0.00 0.75 0.03 1.61 3.41 -1.26 -3.64 113.62 114.52 3fic n SER 53 Ca 0.00 0.35 0.09 0.00 -0.26 0.00 0.00 58.87 59.05 3fic n SER 53 Cb 0.00 0.14 0.52 0.00 -0.26 0.00 0.00 64.21 64.61 3fic n SER 53 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3fic h ARG 54 N 0.00 0.33 -0.32 4.33 3.08 -1.90 0.35 114.38 120.24 3fic h ARG 54 Ca -0.29 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 59.83 3fic h ARG 54 Cb 1.96 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.92 3fic h ARG 54 CO 0.07 0.22 0.47 0.87 -1.07 0.00 0.00 179.97 180.53 3fic h LYS 55 N 0.34 0.00 -0.21 0.04 1.57 -1.80 0.78 116.57 117.30 3fic h LYS 55 Ca 0.17 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 3fic h LYS 55 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 3fic h LYS 55 CO -0.04 0.00 -0.17 0.78 -0.57 0.00 0.00 179.45 179.46 3fic h GLY 56 N 0.00 0.52 -2.33 3.86 0.00 -0.33 -3.29 103.07 101.50 3fic h GLY 56 Ca 0.15 -0.51 -0.31 0.00 0.00 0.00 0.00 47.33 46.66 3fic h GLY 56 CO -0.00 0.46 -0.18 2.41 0.00 0.00 0.00 176.54 179.23 3fic n THR 57 N -4.47 0.69 0.21 4.70 -1.04 0.27 -3.98 114.28 110.66 3fic n THR 57 Ca -0.05 -0.17 0.09 0.00 -2.04 0.00 0.00 64.05 61.87 3fic n THR 57 Cb 0.38 0.00 0.42 0.00 -1.82 0.00 0.00 70.33 69.31 3fic n THR 57 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 3fic h PRO 58 N 0.65 0.00 -0.68 -2.82 0.13 -1.86 -2.52 132.00 124.90 3fic h PRO 58 Ca -0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.97 3fic h PRO 58 Cb 0.64 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.74 3fic h PRO 58 CO 0.26 0.27 0.38 -0.92 -0.23 0.00 0.00 178.00 177.76 3fic h TYR 59 N 0.00 0.92 0.14 1.56 3.20 -1.92 -0.65 116.97 120.22 3fic h TYR 59 Ca -0.00 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 3fic h TYR 59 Cb 0.78 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.76 3fic h TYR 59 CO 0.00 0.65 -0.07 0.00 -1.64 0.00 0.00 178.16 177.10 3fic h ALA 60 N 1.19 -0.19 -0.42 1.82 0.00 -1.75 0.13 119.26 120.04 3fic h ALA 60 Ca 0.24 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.22 3fic h ALA 60 Cb 0.02 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3fic h ALA 60 CO -0.04 -0.59 0.81 0.00 0.00 0.00 0.00 179.25 179.43 3fic h ALA 61 N 0.65 2.20 -0.72 0.00 0.00 -0.86 0.28 119.26 120.82 3fic h ALA 61 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fic h ALA 61 Cb 0.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3fic h ALA 61 CO 0.03 -1.03 0.00 0.94 0.00 0.00 0.00 179.25 179.19 3fic n GLN 62 N -3.08 0.00 -0.30 0.00 7.27 0.37 -2.20 117.38 119.43 3fic n GLN 62 Ca 0.09 0.34 0.27 0.00 0.07 0.00 0.00 57.00 57.77 3fic n GLN 62 Cb 0.96 -0.82 0.51 0.00 2.41 0.00 0.00 30.24 33.30 3fic n GLN 62 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3fic n LEU 63 N -1.71 0.26 0.08 1.69 4.77 -0.33 0.26 117.00 122.02 3fic n LEU 63 Ca 0.00 1.56 -0.10 0.00 -0.03 0.00 0.00 56.01 57.44 3fic n LEU 63 Cb 0.00 -0.73 -0.02 0.00 -2.33 0.00 0.00 43.42 40.34 3fic n LEU 63 CO 0.00 -1.72 0.23 0.00 -1.33 0.00 0.00 177.39 174.57 3fic h ALA 64 N 1.87 0.48 -0.40 -1.18 0.00 -0.67 -1.51 119.26 117.85 3fic h ALA 64 Ca 0.76 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3fic h ALA 64 Cb 1.96 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 3fic h ALA 64 CO -0.74 0.91 0.25 0.00 0.00 0.00 0.00 179.25 179.66 3fic h ALA 65 N 0.93 1.69 0.08 0.00 0.00 0.40 -2.17 119.26 120.19 3fic h ALA 65 Ca -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3fic h ALA 65 Cb 1.53 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3fic h ALA 65 CO 0.14 0.28 -0.04 -0.07 0.00 0.00 0.00 179.25 179.56 3fic h LEU 66 N 0.54 -0.10 -0.57 0.00 3.38 -0.83 -3.17 115.31 114.56 3fic h LEU 66 Ca 0.14 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.28 3fic h LEU 66 Cb -0.04 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 40.63 3fic h LEU 66 CO -0.03 0.08 0.02 -0.67 0.09 0.00 0.00 178.44 177.93 3fic n ASP 67 N -3.14 -0.06 0.00 -0.43 -0.08 -0.59 0.98 116.55 113.23 3fic n ASP 67 Ca -0.01 0.98 0.00 0.00 -1.51 0.00 0.00 54.79 54.24 3fic n ASP 67 Cb 0.04 -0.36 0.00 0.00 2.34 0.00 0.00 41.12 43.15 3fic n ASP 67 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3fic n ALA 68 N -3.36 -0.29 0.02 -1.67 0.00 -0.82 -0.81 120.51 113.58 3fic n ALA 68 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.45 3fic n ALA 68 Cb 0.45 0.14 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 3fic n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fic h ALA 69 N -1.74 -0.57 -0.76 0.00 0.00 0.65 0.19 119.26 117.03 3fic h ALA 69 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.99 3fic h ALA 69 Cb 0.00 0.74 -0.11 0.00 0.00 0.00 0.00 17.79 18.42 3fic h ALA 69 CO 0.00 -0.91 -0.36 1.17 0.00 0.00 0.00 179.25 179.15 3fic n LYS 70 N -5.43 -0.24 0.01 0.00 3.00 0.26 0.15 118.16 115.91 3fic n LYS 70 Ca -0.04 1.16 -0.06 0.00 -0.00 0.00 0.00 58.31 59.37 3fic n LYS 70 Cb 0.36 -1.71 0.14 0.00 0.00 0.00 0.00 35.03 33.81 3fic n LYS 70 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 3fic h LYS 71 N 0.00 0.50 0.00 1.64 1.57 -0.15 -2.17 116.57 117.96 3fic h LYS 71 Ca 0.20 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3fic h LYS 71 Cb 0.39 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 3fic h LYS 71 CO -0.74 0.81 -0.01 0.00 -0.57 0.00 0.00 179.45 178.94 3fic h ALA 72 N 1.17 1.01 0.65 3.86 0.00 0.44 -3.02 119.26 123.38 3fic h ALA 72 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3fic h ALA 72 Cb 0.85 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.65 3fic h ALA 72 CO 0.07 0.01 -0.31 0.52 0.00 0.00 0.00 179.25 179.54 3fic h MET 73 N 0.00 -0.84 -0.52 0.00 2.86 0.21 -2.23 114.93 114.41 3fic h MET 73 Ca -0.00 0.06 0.15 0.00 -2.06 0.00 0.00 59.70 57.85 3fic h MET 73 Cb 0.39 0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 3fic h MET 73 CO 0.00 -0.53 0.57 0.00 1.06 0.00 0.00 176.91 178.01 3fic h ALA 74 N -1.03 2.26 -0.32 6.32 0.00 -1.51 2.78 119.26 127.75 3fic h ALA 74 Ca -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3fic h ALA 74 Cb 0.70 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3fic h ALA 74 CO 0.15 -0.83 0.02 0.66 0.00 0.00 0.00 179.25 179.24 3fic n TYR 75 N -3.64 1.16 -3.30 0.00 4.02 -1.15 -4.92 117.16 109.32 3fic n TYR 75 Ca 0.10 -0.43 -0.11 0.00 -0.01 0.00 0.00 57.90 57.45 3fic n TYR 75 Cb 0.77 -0.34 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 3fic n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3fic n GLY 76 N 0.30 -1.20 3.68 2.72 0.00 0.93 -3.61 105.19 108.02 3fic n GLY 76 Ca 0.16 0.61 -0.32 0.00 0.00 0.00 0.00 46.02 46.47 3fic n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fic s MET 77 N -3.58 2.74 0.28 1.61 0.00 -0.85 -2.04 119.30 117.47 3fic s MET 77 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 55.69 55.08 3fic s MET 77 Cb -0.01 -2.64 0.00 0.00 0.00 0.00 0.00 34.83 32.18 3fic s MET 77 CO 0.81 0.61 0.00 1.04 0.00 0.00 0.00 175.02 177.47 3fic n GLN 78 N 1.24 0.00 -3.37 4.11 6.02 0.20 -4.78 117.38 120.80 3fic n GLN 78 Ca -0.14 0.00 -0.45 0.00 -0.01 0.00 0.00 57.00 56.40 3fic n GLN 78 Cb 0.52 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.72 3fic n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3fic s SER 79 N -4.61 6.14 -0.04 1.08 1.04 -0.54 -1.64 113.70 115.12 3fic s SER 79 Ca 0.00 -1.53 0.06 0.00 0.48 0.00 0.00 55.95 54.97 3fic s SER 79 Cb 0.00 -2.19 -0.02 0.00 0.10 0.00 0.00 66.02 63.92 3fic s SER 79 CO 0.00 -0.73 -0.24 0.68 0.98 0.00 0.00 173.24 173.94 3fic s VAL 80 N 1.61 2.23 -0.18 5.02 -7.23 -1.19 -0.03 120.40 120.63 3fic s VAL 80 Ca 0.04 -1.02 -0.17 0.00 -1.81 0.00 0.00 61.98 59.01 3fic s VAL 80 Cb -0.27 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 3fic s VAL 80 CO 0.05 0.58 0.44 -1.81 -0.31 0.00 0.00 175.10 174.04 3fic s ASP 81 N -0.45 6.51 -0.12 4.85 1.11 -0.74 -1.59 116.67 126.24 3fic s ASP 81 Ca 0.05 0.61 -0.15 0.00 0.18 0.00 0.00 52.55 53.24 3fic s ASP 81 Cb -0.11 -2.25 -0.05 0.00 1.07 0.00 0.00 42.92 41.58 3fic s ASP 81 CO 0.01 -0.08 0.37 -0.69 1.18 0.00 0.00 175.17 175.96 3fic s VAL 82 N 1.21 5.23 -0.07 -1.27 1.01 -0.47 0.62 120.40 126.66 3fic s VAL 82 Ca 0.21 0.72 -0.01 0.00 0.00 0.00 0.00 61.98 62.90 3fic s VAL 82 Cb -0.15 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.56 3fic s VAL 82 CO 0.08 0.39 0.01 -0.63 0.00 0.00 0.00 175.10 174.96 3fic s ILE 83 N 0.30 0.31 0.13 2.22 1.01 0.67 -1.52 121.20 124.33 3fic s ILE 83 Ca 0.21 0.15 0.05 0.00 0.00 0.00 0.00 60.65 61.06 3fic s ILE 83 Cb -0.14 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 3fic s ILE 83 CO 0.07 0.25 0.08 0.68 0.00 0.00 0.00 174.94 176.02 3fic s VAL 84 N 1.94 4.33 -0.09 2.92 -7.23 -0.78 -0.97 120.40 120.52 3fic s VAL 84 Ca 0.04 -1.03 -0.03 0.00 -1.81 0.00 0.00 61.98 59.15 3fic s VAL 84 Cb -0.12 -3.15 0.05 0.00 0.56 0.00 0.00 36.38 33.71 3fic s VAL 84 CO -0.05 -0.02 0.13 -0.13 -0.31 0.00 0.00 175.10 174.73 3fic s ARG 85 N -2.79 0.02 0.00 4.82 0.52 -0.65 0.05 118.95 120.92 3fic s ARG 85 Ca 0.29 0.45 0.00 0.00 -0.52 0.00 0.00 55.73 55.95 3fic s ARG 85 Cb -0.11 -0.51 0.00 0.00 0.52 0.00 0.00 34.95 34.85 3fic s ARG 85 CO 0.22 -0.36 0.00 0.41 0.02 0.00 0.00 175.30 175.58 3fic n GLY 86 N 5.32 -1.73 3.39 -3.53 0.00 -1.26 -2.47 105.19 104.91 3fic n GLY 86 Ca -0.04 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 3fic n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fic n THR 87 N 0.23 0.00 0.00 2.61 -1.04 -1.26 -4.04 114.28 110.79 3fic n THR 87 Ca 0.00 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 3fic n THR 87 Cb 0.00 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 3fic n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fic n GLY 88 N 1.57 3.16 0.08 3.41 0.00 -1.26 -4.44 105.19 107.69 3fic n GLY 88 Ca 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 3fic n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fic n ALA 89 N -0.61 -0.11 0.82 4.61 0.00 -1.26 0.48 120.51 124.43 3fic n ALA 89 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 53.44 53.60 3fic n ALA 89 Cb 0.00 0.31 0.07 0.00 0.00 0.00 0.00 19.45 19.83 3fic n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fic n GLY 90 N -1.04 1.44 0.10 0.00 0.00 -1.26 -4.17 105.19 100.26 3fic n GLY 90 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 3fic n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3fic h ARG 91 N 0.67 -0.14 0.45 1.61 1.12 -0.34 -1.58 114.38 116.17 3fic h ARG 91 Ca 0.00 0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.86 3fic h ARG 91 Cb 0.67 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.66 3fic h ARG 91 CO 0.07 0.05 -0.21 1.49 -3.11 0.00 0.00 179.97 178.26 3fic h GLU 92 N -0.32 -0.58 0.00 0.20 4.57 -1.73 -2.24 114.58 114.47 3fic h GLU 92 Ca -0.02 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3fic h GLU 92 Cb 0.26 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 3fic h GLU 92 CO 0.03 -0.27 0.02 1.04 -1.18 0.00 0.00 179.01 178.64 3fic n GLN 93 N -5.23 0.00 0.09 1.92 1.13 -1.24 -0.10 117.38 113.95 3fic n GLN 93 Ca -0.10 0.13 -0.20 0.00 -1.94 0.00 0.00 57.00 54.88 3fic n GLN 93 Cb 0.30 -1.52 -0.15 0.00 0.11 0.00 0.00 30.24 28.98 3fic n GLN 93 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3fic h ALA 94 N 1.74 0.11 0.00 -1.58 0.00 -0.64 -3.28 119.26 115.61 3fic h ALA 94 Ca 0.00 -1.02 -0.00 0.00 0.00 0.00 0.00 54.91 53.88 3fic h ALA 94 Cb 0.04 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3fic h ALA 94 CO 0.00 0.98 -0.02 0.82 0.00 0.00 0.00 179.25 181.02 3fic h ILE 95 N 0.10 0.88 -1.44 0.00 1.08 -0.53 -3.28 117.51 114.33 3fic h ILE 95 Ca -0.25 -1.67 0.42 0.00 -0.39 0.00 0.00 64.86 62.96 3fic h ILE 95 Cb 2.07 1.68 -0.06 0.00 -3.07 0.00 0.00 36.82 37.44 3fic h ILE 95 CO 0.20 0.30 1.24 0.03 -0.69 0.00 0.00 178.15 179.23 3fic h ARG 96 N -1.00 0.00 -0.04 2.37 3.08 -1.64 1.63 114.38 118.78 3fic h ARG 96 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3fic h ARG 96 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3fic h ARG 96 CO -0.00 0.00 -0.30 0.00 -1.07 0.00 0.00 179.97 178.60 3fic h ALA 97 N 0.88 0.09 0.00 0.04 0.00 -1.64 -2.94 119.26 115.69 3fic h ALA 97 Ca 0.68 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3fic h ALA 97 Cb 3.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.94 3fic h ALA 97 CO -0.01 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.66 3fic n LEU 98 N -4.46 0.00 0.00 0.00 4.77 0.55 -2.35 117.00 115.52 3fic n LEU 98 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3fic n LEU 98 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3fic n LEU 98 CO 0.41 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.47 3fic n GLN 99 N -0.94 0.00 -0.34 3.23 1.13 -1.10 -4.16 117.38 115.20 3fic n GLN 99 Ca 0.00 0.20 -0.01 0.00 -1.94 0.00 0.00 57.00 55.25 3fic n GLN 99 Cb 0.00 -0.63 -0.01 0.00 0.11 0.00 0.00 30.24 29.70 3fic n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3fic n ALA 100 N -1.81 3.15 -0.09 -1.58 0.00 -0.99 -3.04 120.51 116.15 3fic n ALA 100 Ca 0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 3fic n ALA 100 Cb 0.00 -1.53 -0.15 0.00 0.00 0.00 0.00 19.45 17.78 3fic n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3fic n SER 101 N 1.84 0.80 0.00 0.00 3.41 -1.03 -4.95 113.62 113.70 3fic n SER 101 Ca 0.04 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3fic n SER 101 Cb 0.33 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 3fic n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fic n GLY 102 N 1.88 0.79 3.90 5.00 0.00 -1.17 -4.89 105.19 110.70 3fic n GLY 102 Ca -0.34 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 3fic n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fic s LEU 103 N 0.00 4.35 -0.60 0.99 2.01 -1.26 -4.98 118.68 119.19 3fic s LEU 103 Ca 0.00 0.33 -0.21 0.00 0.01 0.00 0.00 54.13 54.26 3fic s LEU 103 Cb 0.00 -2.63 0.07 0.00 0.01 0.00 0.00 46.19 43.64 3fic s LEU 103 CO 0.00 0.25 0.83 -1.58 1.01 0.00 0.00 176.35 176.86 3fic s GLN 104 N -1.99 3.12 -0.99 1.70 0.74 -0.65 -4.75 119.66 116.84 3fic s GLN 104 Ca 0.28 -0.92 -0.26 0.00 0.05 0.00 0.00 55.36 54.51 3fic s GLN 104 Cb -0.13 -4.20 -0.16 0.00 1.10 0.00 0.00 33.01 29.63 3fic s GLN 104 CO 0.19 -1.59 2.16 0.14 -0.55 0.00 0.00 175.29 175.64 3fic s VAL 105 N 3.39 3.15 0.07 1.34 -7.23 -1.26 -3.19 120.40 116.67 3fic s VAL 105 Ca 0.19 -0.21 -0.13 0.00 -1.81 0.00 0.00 61.98 60.02 3fic s VAL 105 Cb -0.19 -3.79 -0.03 0.00 0.56 0.00 0.00 36.38 32.93 3fic s VAL 105 CO 0.10 -0.29 0.93 1.17 -0.31 0.00 0.00 175.10 176.70 3fic n LYS 106 N 8.46 -0.19 -2.61 4.82 3.00 -0.62 -4.82 118.16 126.20 3fic n LYS 106 Ca 0.43 0.91 -0.04 0.00 -0.00 0.00 0.00 58.31 59.62 3fic n LYS 106 Cb 0.46 -1.35 0.01 0.00 0.00 0.00 0.00 35.03 34.15 3fic n LYS 106 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3fic n SER 107 N -4.03 -1.17 -3.79 3.14 3.41 -1.26 -5.04 113.62 104.87 3fic n SER 107 Ca 0.01 -1.76 -0.13 0.00 -0.26 0.00 0.00 58.87 56.73 3fic n SER 107 Cb 0.11 1.94 -0.13 0.00 -0.26 0.00 0.00 64.21 65.87 3fic n SER 107 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3fic s ILE 108 N -2.43 -0.02 -0.04 -1.33 1.01 -1.26 -1.37 121.20 115.77 3fic s ILE 108 Ca 0.10 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.79 3fic s ILE 108 Cb -0.02 -0.24 0.03 0.00 0.01 0.00 0.00 42.46 42.23 3fic s ILE 108 CO 0.05 0.02 0.08 -0.69 0.00 0.00 0.00 174.94 174.41 3fic s VAL 109 N 0.45 -0.04 -0.13 2.92 1.01 -0.58 -5.01 120.40 119.03 3fic s VAL 109 Ca -0.03 0.14 -0.26 0.00 0.00 0.00 0.00 61.98 61.83 3fic s VAL 109 Cb -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 36.18 3fic s VAL 109 CO -0.02 0.06 0.83 -0.62 0.00 0.00 0.00 175.10 175.35 3fic s ASP 110 N 0.79 7.02 -0.12 3.32 2.15 -1.26 -1.86 116.67 126.71 3fic s ASP 110 Ca -0.06 1.25 0.15 0.00 0.43 0.00 0.00 52.55 54.31 3fic s ASP 110 Cb -0.09 -2.46 0.33 0.00 -0.30 0.00 0.00 42.92 40.40 3fic s ASP 110 CO -0.03 -0.33 1.16 -0.67 -0.17 0.00 0.00 175.17 175.13 3fic n ASP 111 N 4.79 1.51 -4.68 -0.34 4.64 0.11 -4.95 116.55 117.64 3fic n ASP 111 Ca 0.04 -3.06 -0.47 0.00 -1.38 0.00 0.00 54.79 49.92 3fic n ASP 111 Cb 0.49 -0.41 -0.04 0.00 -1.04 0.00 0.00 41.12 40.12 3fic n ASP 111 CO 0.00 0.00 0.00 0.41 -0.82 0.00 0.00 177.20 176.79 3fic n THR 112 N -0.74 0.45 -2.88 5.18 -1.04 -1.22 -4.79 114.28 109.24 3fic n THR 112 Ca 0.13 -0.08 -0.39 0.00 -2.04 0.00 0.00 64.05 61.67 3fic n THR 112 Cb 0.77 -1.86 -0.06 0.00 -1.82 0.00 0.00 70.33 67.36 3fic n THR 112 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3fic s PRO 113 N 3.26 4.64 -0.05 -2.82 0.04 -1.26 -4.89 135.00 133.92 3fic s PRO 113 Ca 0.88 1.28 -0.02 0.00 0.04 0.00 0.00 61.00 63.18 3fic s PRO 113 Cb -0.65 -3.14 0.03 0.00 0.04 0.00 0.00 34.50 30.78 3fic s PRO 113 CO 0.46 0.48 0.04 0.54 0.04 0.00 0.00 177.00 178.56 3fic s VAL 114 N -1.29 0.07 0.26 -0.36 0.11 -1.26 -5.02 120.40 112.91 3fic s VAL 114 Ca 0.41 0.30 -0.30 0.00 -2.93 0.00 0.00 61.98 59.47 3fic s VAL 114 Cb -0.23 -0.29 -0.09 0.00 -1.53 0.00 0.00 36.38 34.24 3fic s VAL 114 CO 0.27 0.21 1.25 -2.16 -3.33 0.00 0.00 175.10 171.34 3fic s PRO 115 N 2.03 4.44 0.00 1.54 0.04 -1.26 -4.85 135.00 136.94 3fic s PRO 115 Ca 0.04 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.10 3fic s PRO 115 Cb -0.12 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.21 3fic s PRO 115 CO -0.04 -0.11 1.57 0.72 0.04 0.00 0.00 177.00 179.18 3fic n HIS 116 N 1.71 0.00 -2.37 0.56 8.25 -1.26 -4.44 115.22 117.67 3fic n HIS 116 Ca 0.02 -0.69 -0.04 0.00 -0.26 0.00 0.00 57.72 56.75 3fic n HIS 116 Cb 0.43 -0.63 0.01 0.00 1.12 0.00 0.00 29.99 30.91 3fic n HIS 116 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3fic n ASN 117 N 2.03 -5.72 0.00 0.41 4.05 -1.26 -5.06 115.26 109.71 3fic n ASN 117 Ca 0.08 0.27 0.00 0.00 0.45 0.00 0.00 54.58 55.38 3fic n ASN 117 Cb 0.38 -3.75 0.00 0.00 1.23 0.00 0.00 39.78 37.63 3fic n ASN 117 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3fic n GLY 118 N -0.57 -0.17 3.86 8.20 0.00 -1.26 -5.07 105.19 110.18 3fic n GLY 118 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3fic n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fic s ARG 120 N -1.63 4.27 0.60 0.00 3.52 -1.26 -5.01 118.95 119.44 3fic s ARG 120 Ca 0.23 2.32 -0.04 0.00 -0.13 0.00 0.00 55.73 58.11 3fic s ARG 120 Cb -0.12 -3.07 0.03 0.00 -1.56 0.00 0.00 34.95 30.23 3fic s ARG 120 CO 0.13 -0.35 0.88 -2.14 -0.81 0.00 0.00 175.30 173.01 3fic s PRO 121 N -1.24 2.66 1.04 5.12 0.02 -1.26 -5.05 135.00 136.28 3fic s PRO 121 Ca 0.54 -0.29 -0.14 0.00 0.02 0.00 0.00 61.00 61.13 3fic s PRO 121 Cb -0.42 -2.32 0.13 0.00 0.02 0.00 0.00 34.50 31.91 3fic s PRO 121 CO 0.51 -0.80 0.55 1.63 -0.33 0.00 0.00 177.00 178.55 3fic n LYS 122 N -2.57 -1.16 -0.08 5.54 5.02 -1.26 -4.35 118.16 119.30 3fic n LYS 122 Ca 0.06 -0.30 -0.08 0.00 -2.02 0.00 0.00 58.31 55.97 3fic n LYS 122 Cb 0.59 -1.97 -0.00 0.00 -0.02 0.00 0.00 35.03 33.62 3fic n LYS 122 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3fic h LYS 123 N -2.01 0.23 -0.97 1.97 3.64 -1.96 0.81 116.57 118.27 3fic h LYS 123 Ca -0.50 -0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.00 3fic h LYS 123 Cb 1.31 -0.05 -0.15 0.00 -0.41 0.00 0.00 32.23 32.93 3fic h LYS 123 CO 0.40 0.15 -0.42 -0.22 -2.27 0.00 0.00 179.45 177.08 3fic h LYS 124 N 0.23 -0.01 0.03 1.90 3.64 -2.04 0.26 116.57 120.58 3fic h LYS 124 Ca 0.13 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.29 3fic h LYS 124 Cb 0.09 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3fic h LYS 124 CO -0.13 -0.01 -1.02 0.74 -2.27 0.00 0.00 179.45 176.76 3fic h PHE 125 N -0.01 0.12 0.00 1.91 -1.00 -1.81 -3.32 116.94 112.83 3fic h PHE 125 Ca 0.31 -0.08 0.00 0.00 2.81 0.00 0.00 57.97 61.00 3fic h PHE 125 Cb 0.56 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.12 3fic h PHE 125 CO -0.89 1.04 0.33 -2.13 -1.61 0.00 0.00 178.31 175.05 3fic n ARG 126 N -3.43 0.03 -0.29 1.51 0.63 0.28 -3.06 116.66 112.33 3fic n ARG 126 Ca -0.02 0.38 0.12 0.00 -0.92 0.00 0.00 57.85 57.41 3fic n ARG 126 Cb 0.93 -1.95 0.28 0.00 0.45 0.00 0.00 32.46 32.17 3fic n ARG 126 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3fic h LYS 127 N 0.00 0.20 -6.24 -0.14 1.79 -1.64 -3.38 116.57 107.16 3fic h LYS 127 Ca 0.00 -0.01 -0.57 0.00 -2.18 0.00 0.00 60.65 57.88 3fic h LYS 127 Cb 0.67 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.25 3fic h LYS 127 CO 0.00 0.14 1.26 0.00 -1.08 0.00 0.00 179.45 179.76 3fic s ALA 128 N -5.95 3.02 -2.53 3.86 0.00 -1.17 -5.20 121.76 113.79 3fic s ALA 128 Ca -0.12 0.46 0.28 0.00 0.00 0.00 0.00 51.96 52.58 3fic s ALA 128 Cb 0.25 -3.96 1.01 0.00 0.00 0.00 0.00 23.12 20.42 3fic s ALA 128 CO 0.77 -2.37 1.72 0.45 0.00 0.00 0.00 175.76 176.33