#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fic s ARG 2 N 0.00 0.98 -0.14 0.03 0.52 -1.06 -4.75 118.95 114.53 3fic s ARG 2 Ca 0.00 -0.07 -0.23 0.00 -0.52 0.00 0.00 55.73 54.92 3fic s ARG 2 Cb 0.00 0.46 -0.03 0.00 0.52 0.00 0.00 34.95 35.90 3fic s ARG 2 CO 0.00 -0.37 0.69 0.50 0.02 0.00 0.00 175.30 176.15 3fic s ARG 3 N -2.23 4.32 0.02 3.54 3.52 -1.26 -2.50 118.95 124.36 3fic s ARG 3 Ca -0.03 0.79 0.04 0.00 -0.13 0.00 0.00 55.73 56.40 3fic s ARG 3 Cb -0.01 -3.52 -0.02 0.00 -1.56 0.00 0.00 34.95 29.84 3fic s ARG 3 CO -0.01 -0.13 -0.11 0.71 -0.81 0.00 0.00 175.30 174.95 3fic s TYR 4 N 1.51 0.94 -0.94 5.12 2.02 0.20 -1.43 117.35 124.77 3fic s TYR 4 Ca 0.34 -0.30 -0.03 0.00 -0.37 0.00 0.00 57.07 56.71 3fic s TYR 4 Cb -0.17 -0.57 0.25 0.00 -0.40 0.00 0.00 41.96 41.07 3fic s TYR 4 CO 0.13 -0.00 0.94 0.39 -1.57 0.00 0.00 175.55 175.44 3fic n GLU 5 N 2.17 3.05 -1.74 -0.62 1.02 0.35 -0.00 120.64 124.87 3fic n GLU 5 Ca -0.17 -4.51 -0.39 0.00 -0.02 0.00 0.00 57.16 52.07 3fic n GLU 5 Cb 0.56 -2.44 0.04 0.00 -0.02 0.00 0.00 31.44 29.58 3fic n GLU 5 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3fic n VAL 6 N 2.09 3.54 -4.32 2.62 0.31 -1.10 -3.26 118.33 118.21 3fic n VAL 6 Ca 0.24 -0.50 -0.18 0.00 -0.01 0.00 0.00 64.34 63.88 3fic n VAL 6 Cb 0.37 -1.68 -0.14 0.00 -0.91 0.00 0.00 33.84 31.48 3fic n VAL 6 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3fic s ASN 7 N -0.80 1.17 0.11 4.52 0.02 -1.24 -2.70 114.94 116.02 3fic s ASN 7 Ca 0.69 -0.29 -0.00 0.00 -1.02 0.00 0.00 52.86 52.24 3fic s ASN 7 Cb -0.43 -0.09 -0.04 0.00 0.02 0.00 0.00 41.25 40.71 3fic s ASN 7 CO 0.51 0.05 0.01 -0.63 0.02 0.00 0.00 177.10 177.06 3fic s ILE 8 N -0.53 0.29 -0.10 0.60 1.01 -1.25 -1.98 121.20 119.25 3fic s ILE 8 Ca 0.01 -1.90 -0.09 0.00 0.00 0.00 0.00 60.65 58.68 3fic s ILE 8 Cb -0.05 -1.88 0.03 0.00 0.01 0.00 0.00 42.46 40.56 3fic s ILE 8 CO 0.00 -0.65 0.26 -0.69 0.00 0.00 0.00 174.94 173.86 3fic s VAL 9 N -3.90 -0.00 0.20 2.92 1.01 -0.82 -3.00 120.40 116.80 3fic s VAL 9 Ca 0.18 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.25 3fic s VAL 9 Cb 0.07 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 3fic s VAL 9 CO -0.02 0.00 -0.14 -0.76 0.00 0.00 0.00 175.10 174.18 3fic s LEU 10 N 0.21 2.55 -0.30 3.92 1.02 -0.41 -1.27 118.68 124.40 3fic s LEU 10 Ca -0.01 -1.01 -0.35 0.00 0.02 0.00 0.00 54.13 52.78 3fic s LEU 10 Cb -0.02 -0.65 -0.12 0.00 0.02 0.00 0.00 46.19 45.42 3fic s LEU 10 CO -0.00 -0.18 2.10 -3.20 0.02 0.00 0.00 176.35 175.09 3fic n ASN 11 N -0.32 2.36 -0.27 2.29 2.85 -0.22 -1.88 115.26 120.07 3fic n ASN 11 Ca -0.08 0.56 0.08 0.00 -0.11 0.00 0.00 54.58 55.02 3fic n ASN 11 Cb 0.60 -1.27 0.32 0.00 1.24 0.00 0.00 39.78 40.67 3fic n ASN 11 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3fic h PRO 12 N 11.45 0.82 -3.21 1.20 0.13 -1.92 -3.27 132.00 137.20 3fic h PRO 12 Ca -0.33 -0.05 -0.70 0.00 -0.87 0.00 0.00 66.00 64.05 3fic h PRO 12 Cb 1.31 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 3fic h PRO 12 CO 1.00 0.54 3.24 0.09 -0.23 0.00 0.00 178.00 182.64 3fic n ASN 13 N -4.53 7.12 -4.15 1.44 3.02 -1.26 -4.88 115.26 112.02 3fic n ASN 13 Ca 0.15 -2.80 -0.20 0.00 -0.03 0.00 0.00 54.58 51.70 3fic n ASN 13 Cb 0.33 -1.54 -0.13 0.00 -0.61 0.00 0.00 39.78 37.82 3fic n ASN 13 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fic s LEU 14 N 0.18 2.16 0.62 3.41 1.43 -1.23 -5.13 118.68 120.12 3fic s LEU 14 Ca 0.58 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 53.10 3fic s LEU 14 Cb 0.16 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.73 3fic s LEU 14 CO -0.07 0.05 1.05 1.51 0.23 0.00 0.00 176.35 179.12 3fic s ASP 15 N -1.09 5.73 0.67 2.29 1.47 -1.26 -4.81 116.67 119.66 3fic s ASP 15 Ca 0.02 1.73 0.33 0.00 1.18 0.00 0.00 52.55 55.81 3fic s ASP 15 Cb -0.08 -2.52 1.82 0.00 -0.34 0.00 0.00 42.92 41.80 3fic s ASP 15 CO 0.01 -1.20 2.02 0.06 0.68 0.00 0.00 175.17 176.74 3fic h GLN 16 N 0.09 0.00 0.15 2.11 -0.00 -1.99 -2.16 115.11 113.31 3fic h GLN 16 Ca -0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.18 3fic h GLN 16 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.69 3fic h GLN 16 CO 0.58 0.00 -0.07 0.77 -0.00 0.00 0.00 178.83 180.10 3fic h SER 17 N 0.00 -0.17 -0.95 0.06 0.02 -1.99 -2.02 113.55 108.50 3fic h SER 17 Ca 0.00 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.08 3fic h SER 17 Cb 0.52 0.04 -0.14 0.00 0.14 0.00 0.00 62.40 62.96 3fic h SER 17 CO -0.00 0.09 -0.45 0.00 -1.14 0.00 0.00 176.83 175.32 3fic n GLN 18 N -3.70 -0.31 -0.20 3.45 6.02 -0.91 0.93 117.38 122.66 3fic n GLN 18 Ca -0.02 1.45 -0.00 0.00 -0.01 0.00 0.00 57.00 58.42 3fic n GLN 18 Cb 0.08 -2.15 0.11 0.00 1.02 0.00 0.00 30.24 29.29 3fic n GLN 18 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3fic h LEU 19 N 0.00 0.25 -1.66 1.08 6.46 -1.52 0.30 115.31 120.22 3fic h LEU 19 Ca 0.25 0.07 0.08 0.00 -0.12 0.00 0.00 57.88 58.17 3fic h LEU 19 Cb 0.49 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 3fic h LEU 19 CO -0.92 0.15 0.55 0.00 -0.62 0.00 0.00 178.44 177.60 3fic h ALA 20 N 1.41 1.91 0.16 1.25 0.00 0.13 -1.10 119.26 123.02 3fic h ALA 20 Ca 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3fic h ALA 20 Cb 0.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3fic h ALA 20 CO -0.29 -0.70 -0.08 -0.07 0.00 0.00 0.00 179.25 178.11 3fic h LEU 21 N 0.00 -0.19 -0.97 0.00 -0.00 0.10 -2.31 115.31 111.95 3fic h LEU 21 Ca 0.13 0.01 0.31 0.00 -0.00 0.00 0.00 57.88 58.33 3fic h LEU 21 Cb 1.24 0.05 -0.15 0.00 -0.00 0.00 0.00 40.66 41.80 3fic h LEU 21 CO -0.00 0.10 0.43 -0.33 -0.00 0.00 0.00 178.44 178.65 3fic h GLU 22 N -0.70 0.22 -0.31 1.13 4.39 -1.17 1.66 114.58 119.80 3fic h GLU 22 Ca -0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3fic h GLU 22 Cb 0.17 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 3fic h GLU 22 CO 0.04 0.15 0.20 0.87 -1.16 0.00 0.00 179.01 179.10 3fic h LYS 23 N 0.23 0.42 -0.40 2.33 1.57 -1.33 -0.40 116.57 118.99 3fic h LYS 23 Ca 0.69 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.52 3fic h LYS 23 Cb 1.56 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.70 3fic h LYS 23 CO -0.66 0.30 -0.08 1.49 -0.57 0.00 0.00 179.45 179.92 3fic h GLU 24 N 0.42 0.02 0.00 3.15 4.81 0.30 0.22 114.58 123.49 3fic h GLU 24 Ca 0.11 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3fic h GLU 24 Cb -0.02 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3fic h GLU 24 CO -0.02 0.01 0.00 -0.89 -0.73 0.00 0.00 179.01 177.38 3fic n ILE 25 N -5.28 0.00 -0.32 2.32 2.08 -0.03 -1.69 119.36 116.44 3fic n ILE 25 Ca 0.02 1.45 0.17 0.00 0.56 0.00 0.00 62.75 64.96 3fic n ILE 25 Cb 0.22 -2.32 0.33 0.00 -0.75 0.00 0.00 39.64 37.12 3fic n ILE 25 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3fic n ILE 26 N -2.09 -0.39 -0.01 1.39 5.41 -0.21 0.73 119.36 124.19 3fic n ILE 26 Ca 0.00 2.01 -0.10 0.00 1.00 0.00 0.00 62.75 65.66 3fic n ILE 26 Cb 0.00 -3.00 -0.04 0.00 -0.71 0.00 0.00 39.64 35.89 3fic n ILE 26 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3fic h GLN 27 N 0.00 0.05 -0.30 0.38 1.08 -0.68 -1.83 115.11 113.80 3fic h GLN 27 Ca 0.61 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.80 3fic h GLN 27 Cb 1.37 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.77 3fic h GLN 27 CO -0.84 0.03 0.15 0.00 -0.95 0.00 0.00 178.83 177.22 3fic h ARG 28 N 0.05 0.43 -0.43 1.46 3.08 0.12 -2.22 114.38 116.86 3fic h ARG 28 Ca 0.06 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.11 3fic h ARG 28 Cb 0.06 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 29.95 3fic h ARG 28 CO -0.09 0.40 -0.51 0.00 -1.07 0.00 0.00 179.97 178.70 3fic h ALA 29 N 1.01 -0.62 -0.68 0.04 0.00 -0.48 0.78 119.26 119.30 3fic h ALA 29 Ca 0.10 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.16 3fic h ALA 29 Cb 0.11 1.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 3fic h ALA 29 CO -0.01 -0.97 0.28 -0.07 0.00 0.00 0.00 179.25 178.48 3fic h LEU 30 N -0.36 0.30 -0.34 0.00 3.38 -1.25 -1.18 115.31 115.86 3fic h LEU 30 Ca 0.11 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3fic h LEU 30 Cb 0.59 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3fic h LEU 30 CO -0.61 0.16 0.21 -0.08 0.09 0.00 0.00 178.44 178.21 3fic h GLU 31 N 0.47 0.41 -0.39 1.13 4.81 0.03 0.13 114.58 121.17 3fic h GLU 31 Ca 0.35 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.58 3fic h GLU 31 Cb 0.45 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 3fic h GLU 31 CO -0.33 0.27 0.22 -0.91 -0.73 0.00 0.00 179.01 177.54 3fic h ASN 32 N 0.43 0.35 -0.45 1.04 -0.26 0.16 -2.82 115.58 114.02 3fic h ASN 32 Ca 0.13 0.01 -0.28 0.00 -0.56 0.00 0.00 56.30 55.59 3fic h ASN 32 Cb -0.02 -0.06 -0.11 0.00 -1.06 0.00 0.00 38.32 37.06 3fic h ASN 32 CO -0.05 0.25 0.19 -1.22 -1.06 0.00 0.00 177.43 175.55 3fic n TYR 33 N -4.88 0.99 -4.34 1.19 0.53 -0.71 -4.83 117.16 105.11 3fic n TYR 33 Ca 0.01 -1.69 -0.40 0.00 -1.02 0.00 0.00 57.90 54.80 3fic n TYR 33 Cb 0.07 -1.08 -0.07 0.00 -1.03 0.00 0.00 39.34 37.22 3fic n TYR 33 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3fic n GLY 34 N 1.07 -0.39 3.85 2.72 0.00 -1.06 -4.67 105.19 106.72 3fic n GLY 34 Ca 0.31 0.06 -0.34 0.00 0.00 0.00 0.00 46.02 46.06 3fic n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fic s ALA 35 N -3.11 3.52 -0.01 4.61 0.00 0.46 -4.46 121.76 122.77 3fic s ALA 35 Ca 0.77 -0.13 0.08 0.00 0.00 0.00 0.00 51.96 52.68 3fic s ALA 35 Cb -0.45 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 3fic s ALA 35 CO 0.95 0.44 -0.25 0.50 0.00 0.00 0.00 175.76 177.40 3fic s ARG 36 N -2.45 2.08 -0.23 0.00 3.52 -0.87 -4.54 118.95 116.46 3fic s ARG 36 Ca 0.45 -0.95 -0.04 0.00 -0.13 0.00 0.00 55.73 55.06 3fic s ARG 36 Cb -0.13 -2.06 0.00 0.00 -1.56 0.00 0.00 34.95 31.21 3fic s ARG 36 CO 0.20 0.56 -0.04 0.08 -0.81 0.00 0.00 175.30 175.29 3fic s VAL 37 N -0.66 3.31 0.00 7.11 1.01 -1.26 -1.64 120.40 128.26 3fic s VAL 37 Ca 0.11 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3fic s VAL 37 Cb -0.10 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.72 3fic s VAL 37 CO -0.00 0.35 0.00 -0.62 0.00 0.00 0.00 175.10 174.82 3fic n GLU 38 N 4.78 0.00 -0.15 2.72 1.02 -0.09 -5.01 120.64 123.91 3fic n GLU 38 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 3fic n GLU 38 Cb 0.50 -0.29 0.00 0.00 -0.02 0.00 0.00 31.44 31.63 3fic n GLU 38 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3fic n LYS 39 N -0.50 1.62 0.00 3.49 5.02 -1.24 -4.96 118.16 121.60 3fic n LYS 39 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3fic n LYS 39 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3fic n LYS 39 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3fic n VAL 40 N -0.42 0.00 -3.98 -0.18 3.14 -1.25 -3.72 118.33 111.91 3fic n VAL 40 Ca 0.00 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.07 3fic n VAL 40 Cb 0.00 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 32.63 3fic n VAL 40 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 3fic s GLU 41 N 0.00 1.47 -1.33 1.45 2.02 -0.39 -4.97 118.70 116.94 3fic s GLU 41 Ca 0.00 -1.90 -0.17 0.00 0.02 0.00 0.00 54.97 52.92 3fic s GLU 41 Cb 0.00 -3.11 0.04 0.00 0.10 0.00 0.00 34.13 31.16 3fic s GLU 41 CO 0.00 -0.97 1.95 -1.91 0.02 0.00 0.00 175.26 174.35 3fic n GLU 42 N 4.17 2.88 0.00 1.61 2.13 -1.26 -3.61 120.64 126.56 3fic n GLU 42 Ca 0.04 -2.90 0.00 0.00 0.66 0.00 0.00 57.16 54.96 3fic n GLU 42 Cb 0.41 -3.41 0.00 0.00 0.27 0.00 0.00 31.44 28.71 3fic n GLU 42 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3fic n LEU 43 N 7.87 0.00 0.00 4.31 4.32 -1.17 -4.91 117.00 127.43 3fic n LEU 43 Ca 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.49 3fic n LEU 43 Cb 0.43 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 3fic n LEU 43 CO 0.83 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.61 3fic n GLY 44 N -0.30 1.03 3.44 -0.72 0.00 -1.09 -4.72 105.19 102.84 3fic n GLY 44 Ca 0.00 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 3fic n GLY 44 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3fic n LEU 45 N 0.00 0.30 -3.59 0.99 7.94 -1.26 -1.44 117.00 119.94 3fic n LEU 45 Ca 0.00 0.40 -0.09 0.00 -1.11 0.00 0.00 56.01 55.21 3fic n LEU 45 Cb 0.00 -1.23 -0.05 0.00 0.53 0.00 0.00 43.42 42.67 3fic n LEU 45 CO 0.00 -3.40 0.84 -0.13 -1.11 0.00 0.00 177.39 173.59 3fic s ARG 46 N -3.51 0.49 -0.53 1.96 1.81 -1.05 -4.83 118.95 113.29 3fic s ARG 46 Ca 0.60 0.15 -0.24 0.00 -1.72 0.00 0.00 55.73 54.51 3fic s ARG 46 Cb -0.24 0.23 0.04 0.00 -0.45 0.00 0.00 34.95 34.53 3fic s ARG 46 CO 0.65 -0.15 0.93 1.03 -0.68 0.00 0.00 175.30 177.08 3fic s ARG 47 N -1.00 3.37 0.70 3.54 0.52 -1.26 -1.85 118.95 122.97 3fic s ARG 47 Ca 0.00 -0.18 -0.15 0.00 -0.52 0.00 0.00 55.73 54.88 3fic s ARG 47 Cb -0.01 -4.03 0.02 0.00 0.52 0.00 0.00 34.95 31.46 3fic s ARG 47 CO -0.01 -1.43 1.18 -0.51 0.02 0.00 0.00 175.30 174.55 3fic s LEU 48 N 3.90 3.35 0.14 2.53 1.43 -0.86 -4.96 118.68 124.21 3fic s LEU 48 Ca 0.32 2.24 -0.11 0.00 -1.03 0.00 0.00 54.13 55.55 3fic s LEU 48 Cb -0.12 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.47 3fic s LEU 48 CO 0.21 -2.04 1.46 0.00 0.23 0.00 0.00 176.35 176.20 3fic h ALA 49 N -0.16 0.54 -3.13 4.21 0.00 -1.96 -3.45 119.26 115.32 3fic h ALA 49 Ca -0.47 -0.47 -0.27 0.00 0.00 0.00 0.00 54.91 53.69 3fic h ALA 49 Cb 1.28 -0.11 -0.21 0.00 0.00 0.00 0.00 17.79 18.75 3fic h ALA 49 CO 0.51 0.68 -0.73 1.52 0.00 0.00 0.00 179.25 181.23 3fic s TYR 50 N -4.31 0.66 0.17 0.00 1.13 -1.26 -5.11 117.35 108.62 3fic s TYR 50 Ca -0.11 -0.51 -0.32 0.00 -1.41 0.00 0.00 57.07 54.71 3fic s TYR 50 Cb 0.11 -0.39 -0.12 0.00 -1.10 0.00 0.00 41.96 40.45 3fic s TYR 50 CO 0.89 -0.09 1.71 -0.35 -2.51 0.00 0.00 175.55 175.19 3fic n PRO 51 N 1.42 2.60 -3.46 -3.49 -0.04 -1.26 -4.87 135.00 125.90 3fic n PRO 51 Ca -0.23 0.94 -0.42 0.00 -0.04 0.00 0.00 63.50 63.75 3fic n PRO 51 Cb 0.55 -2.78 -0.04 0.00 -0.04 0.00 0.00 33.50 31.20 3fic n PRO 51 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3fic s ILE 52 N 1.46 5.16 -0.47 0.52 -1.09 -1.13 -4.53 121.20 121.13 3fic s ILE 52 Ca 0.78 -3.15 -0.01 0.00 -2.23 0.00 0.00 60.65 56.04 3fic s ILE 52 Cb -0.55 -4.18 -0.01 0.00 -1.58 0.00 0.00 42.46 36.13 3fic s ILE 52 CO 0.35 -1.07 0.40 0.00 -1.23 0.00 0.00 174.94 173.39 3fic n ALA 53 N 3.15 -1.08 0.00 9.38 0.00 -1.26 -4.24 120.51 126.46 3fic n ALA 53 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3fic n ALA 53 Cb 0.41 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.87 3fic n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fic n LYS 54 N -2.26 0.00 -1.49 0.00 4.76 -1.26 -4.95 118.16 112.96 3fic n LYS 54 Ca -0.08 0.00 -0.53 0.00 -2.87 0.00 0.00 58.31 54.84 3fic n LYS 54 Cb 0.56 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.68 3fic n LYS 54 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3fic n ASP 55 N 4.52 2.11 -0.72 4.39 8.00 -1.26 -4.71 116.55 128.88 3fic n ASP 55 Ca 0.00 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.10 3fic n ASP 55 Cb 0.00 -1.21 0.03 0.00 -0.02 0.00 0.00 41.12 39.92 3fic n ASP 55 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3fic n PRO 56 N 7.51 1.29 -4.25 -0.24 -0.04 -1.26 -2.83 135.00 135.18 3fic n PRO 56 Ca 0.39 -0.27 -0.16 0.00 -0.04 0.00 0.00 63.50 63.42 3fic n PRO 56 Cb 0.19 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 32.07 3fic n PRO 56 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3fic s GLN 57 N -0.97 1.05 -0.20 0.54 -0.21 -1.26 -2.03 119.66 116.58 3fic s GLN 57 Ca 0.05 -1.37 -0.15 0.00 0.02 0.00 0.00 55.36 53.91 3fic s GLN 57 Cb 0.04 -0.75 0.06 0.00 1.00 0.00 0.00 33.01 33.35 3fic s GLN 57 CO 0.01 0.12 0.51 0.20 -2.12 0.00 0.00 175.29 174.01 3fic s GLY 58 N -2.88 -0.40 0.06 3.09 0.00 -0.77 -4.53 107.32 101.89 3fic s GLY 58 Ca 0.14 1.59 -0.25 0.00 0.00 0.00 0.00 44.72 46.19 3fic s GLY 58 CO 0.02 1.51 0.79 -0.47 0.00 0.00 0.00 173.10 174.95 3fic s TYR 59 N 0.76 3.75 0.00 1.90 5.04 -0.79 -2.52 117.35 125.49 3fic s TYR 59 Ca -0.04 1.51 0.07 0.00 -2.44 0.00 0.00 57.07 56.17 3fic s TYR 59 Cb -0.05 -2.84 -0.03 0.00 0.35 0.00 0.00 41.96 39.39 3fic s TYR 59 CO -0.06 0.28 -0.20 -0.06 -1.34 0.00 0.00 175.55 174.17 3fic s PHE 60 N -0.09 2.52 0.36 4.97 0.40 -0.52 -1.28 117.98 124.33 3fic s PHE 60 Ca 0.39 -0.29 0.04 0.00 -0.60 0.00 0.00 56.93 56.47 3fic s PHE 60 Cb -0.21 -1.51 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 3fic s PHE 60 CO 0.24 0.15 0.14 -0.51 0.70 0.00 0.00 175.22 175.94 3fic s LEU 61 N -1.01 1.88 -0.30 -0.37 1.02 -1.16 -2.67 118.68 116.08 3fic s LEU 61 Ca 0.12 -1.61 -0.16 0.00 0.02 0.00 0.00 54.13 52.51 3fic s LEU 61 Cb -0.10 0.02 0.17 0.00 0.02 0.00 0.00 46.19 46.30 3fic s LEU 61 CO 0.02 -0.89 1.06 0.86 0.02 0.00 0.00 176.35 177.41 3fic s TRP 62 N -3.38 -0.54 -0.19 0.29 -0.00 -1.24 -3.88 118.94 110.01 3fic s TRP 62 Ca 0.30 0.93 0.01 0.00 -0.00 0.00 0.00 56.10 57.34 3fic s TRP 62 Cb 0.04 0.32 0.04 0.00 -0.00 0.00 0.00 33.47 33.87 3fic s TRP 62 CO 0.17 -0.27 -0.10 0.71 -0.00 0.00 0.00 176.95 177.46 3fic s TYR 63 N 2.37 2.26 -0.01 5.86 4.12 -1.10 -1.27 117.35 129.59 3fic s TYR 63 Ca -0.02 -1.47 -0.30 0.00 0.02 0.00 0.00 57.07 55.30 3fic s TYR 63 Cb -0.05 -1.57 -0.04 0.00 -1.52 0.00 0.00 41.96 38.78 3fic s TYR 63 CO -0.17 -0.71 1.09 -1.14 0.02 0.00 0.00 175.55 174.63 3fic s GLN 64 N 1.45 4.46 0.11 -0.62 0.74 -1.24 -2.72 119.66 121.84 3fic s GLN 64 Ca -0.00 1.56 -0.01 0.00 0.05 0.00 0.00 55.36 56.96 3fic s GLN 64 Cb -0.16 -3.46 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 3fic s GLN 64 CO -0.08 -0.22 0.04 0.14 -0.55 0.00 0.00 175.29 174.61 3fic s VAL 65 N 1.39 0.13 -0.17 1.34 -7.23 1.00 -0.91 120.40 115.94 3fic s VAL 65 Ca 0.54 -1.89 -0.01 0.00 -1.81 0.00 0.00 61.98 58.82 3fic s VAL 65 Cb -0.24 -1.92 0.04 0.00 0.56 0.00 0.00 36.38 34.83 3fic s VAL 65 CO 0.26 -0.59 -0.04 -0.70 -0.31 0.00 0.00 175.10 173.71 3fic s GLU 66 N -4.02 1.36 0.15 4.82 2.12 -0.65 0.61 118.70 123.08 3fic s GLU 66 Ca 0.20 -0.52 -0.10 0.00 0.36 0.00 0.00 54.97 54.91 3fic s GLU 66 Cb 0.08 -2.03 -0.00 0.00 0.26 0.00 0.00 34.13 32.44 3fic s GLU 66 CO -0.01 -0.46 0.29 0.00 -0.54 0.00 0.00 175.26 174.54 3fic s MET 67 N 1.64 1.11 -0.41 4.30 0.23 -1.04 -2.05 119.30 123.08 3fic s MET 67 Ca 0.00 -1.08 -0.31 0.00 -1.03 0.00 0.00 55.69 53.28 3fic s MET 67 Cb -0.16 0.39 -0.10 0.00 -1.53 0.00 0.00 34.83 33.43 3fic s MET 67 CO -0.08 -0.40 2.30 -0.35 -2.03 0.00 0.00 175.02 174.46 3fic n PRO 68 N -0.19 1.18 -0.19 3.16 -0.04 -1.26 -2.57 135.00 135.09 3fic n PRO 68 Ca -0.10 0.25 0.17 0.00 -0.04 0.00 0.00 63.50 63.78 3fic n PRO 68 Cb 0.63 -2.79 0.30 0.00 -0.04 0.00 0.00 33.50 31.59 3fic n PRO 68 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3fic n GLU 69 N 8.56 -0.02 0.05 0.54 0.00 -1.26 -1.15 120.64 127.36 3fic n GLU 69 Ca 0.40 0.61 -0.11 0.00 0.00 0.00 0.00 57.16 58.06 3fic n GLU 69 Cb 0.34 -1.15 -0.08 0.00 0.00 0.00 0.00 31.44 30.55 3fic n GLU 69 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 3fic h ASP 70 N 0.00 -0.18 0.16 -1.84 2.03 -2.01 -3.27 116.42 111.31 3fic h ASP 70 Ca 0.40 -0.36 -0.00 0.00 -0.73 0.00 0.00 57.03 56.34 3fic h ASP 70 Cb 1.19 0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 39.74 3fic h ASP 70 CO -0.28 0.37 -0.00 0.03 -1.03 0.00 0.00 179.24 178.33 3fic h ARG 71 N -0.85 0.00 -0.79 4.15 3.08 -1.52 -3.25 114.38 115.20 3fic h ARG 71 Ca -0.02 0.00 0.32 0.00 0.07 0.00 0.00 59.98 60.35 3fic h ARG 71 Cb 0.53 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.45 3fic h ARG 71 CO 0.04 0.00 0.44 1.55 -1.07 0.00 0.00 179.97 180.93 3fic n VAL 72 N -3.15 -0.29 -0.01 2.04 3.14 -1.15 -1.04 118.33 117.87 3fic n VAL 72 Ca -0.02 1.47 -0.02 0.00 -2.96 0.00 0.00 64.34 62.81 3fic n VAL 72 Cb 0.11 -2.39 -0.01 0.00 -1.06 0.00 0.00 33.84 30.49 3fic n VAL 72 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 3fic h ASN 73 N 0.00 -0.08 -0.72 6.55 2.35 -1.83 -2.91 115.58 118.95 3fic h ASN 73 Ca 0.63 -0.01 0.12 0.00 -0.55 0.00 0.00 56.30 56.49 3fic h ASN 73 Cb 1.74 0.02 -0.12 0.00 0.05 0.00 0.00 38.32 40.01 3fic h ASN 73 CO -0.53 0.42 -0.25 0.47 -1.65 0.00 0.00 177.43 175.89 3fic n ASP 74 N -4.84 -0.41 0.18 5.81 8.00 -0.21 0.13 116.55 125.22 3fic n ASP 74 Ca -0.01 1.25 -0.15 0.00 0.71 0.00 0.00 54.79 56.59 3fic n ASP 74 Cb 0.04 -0.31 -0.08 0.00 -0.02 0.00 0.00 41.12 40.75 3fic n ASP 74 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3fic h LEU 75 N 0.00 -1.09 -0.85 0.64 6.46 -1.49 -0.47 115.31 118.50 3fic h LEU 75 Ca 0.28 0.11 0.14 0.00 -0.12 0.00 0.00 57.88 58.29 3fic h LEU 75 Cb 0.46 0.39 -0.15 0.00 -0.73 0.00 0.00 40.66 40.63 3fic h LEU 75 CO -0.72 -0.50 -0.29 0.00 -0.62 0.00 0.00 178.44 176.30 3fic n ALA 76 N -2.74 0.00 0.27 1.25 0.00 0.36 0.10 120.51 119.75 3fic n ALA 76 Ca -0.09 0.88 -0.16 0.00 0.00 0.00 0.00 53.44 54.07 3fic n ALA 76 Cb 0.38 -0.44 -0.08 0.00 0.00 0.00 0.00 19.45 19.30 3fic n ALA 76 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3fic h ARG 77 N 0.00 -0.62 -0.93 0.00 2.43 -0.56 -2.83 114.38 111.87 3fic h ARG 77 Ca 0.33 0.04 0.24 0.00 -0.81 0.00 0.00 59.98 59.79 3fic h ARG 77 Cb 0.55 0.14 -0.17 0.00 -0.42 0.00 0.00 29.97 30.07 3fic h ARG 77 CO -0.86 -0.39 0.01 1.49 -1.51 0.00 0.00 179.97 178.72 3fic h GLU 78 N -0.70 0.04 0.00 0.20 4.57 0.13 0.84 114.58 119.66 3fic h GLU 78 Ca -0.07 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3fic h GLU 78 Cb 0.52 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 3fic h GLU 78 CO 0.11 0.03 -0.02 -0.07 -1.18 0.00 0.00 179.01 177.87 3fic h LEU 79 N 0.04 0.00 -0.88 1.64 3.38 -0.60 -2.68 115.31 116.21 3fic h LEU 79 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 3fic h LEU 79 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3fic h LEU 79 CO -0.86 0.02 -0.35 0.54 0.09 0.00 0.00 178.44 177.89 3fic n ARG 80 N -3.52 1.17 0.01 1.13 1.74 0.29 -4.32 116.66 113.15 3fic n ARG 80 Ca -0.03 -0.88 -0.10 0.00 -0.77 0.00 0.00 57.85 56.07 3fic n ARG 80 Cb 0.12 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.04 3fic n ARG 80 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3fic h ILE 81 N 2.14 0.35 -3.65 0.55 2.04 -1.25 -3.41 117.51 114.28 3fic h ILE 81 Ca 0.00 0.00 -0.54 0.00 1.00 0.00 0.00 64.86 65.32 3fic h ILE 81 Cb 0.67 0.35 0.10 0.00 -0.74 0.00 0.00 36.82 37.20 3fic h ILE 81 CO 0.00 0.00 0.81 0.54 0.00 0.00 0.00 178.15 179.50 3fic n ARG 82 N -5.39 2.67 0.18 2.37 5.12 -1.26 -4.93 116.66 115.41 3fic n ARG 82 Ca -0.03 0.94 0.06 0.00 -1.93 0.00 0.00 57.85 56.89 3fic n ARG 82 Cb 0.31 -2.69 0.23 0.00 -1.16 0.00 0.00 32.46 29.15 3fic n ARG 82 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3fic h ASP 83 N 3.67 0.00 1.12 0.55 3.45 -1.95 -3.03 116.42 120.23 3fic h ASP 83 Ca -0.49 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 56.94 3fic h ASP 83 Cb 1.24 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.00 3fic h ASP 83 CO 0.70 0.38 -0.14 0.78 -1.57 0.00 0.00 179.24 179.39 3fic h ASN 84 N 0.00 0.00 -2.82 6.45 2.35 -1.94 -3.38 115.58 116.23 3fic h ASN 84 Ca -0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.17 3fic h ASN 84 Cb 1.07 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.34 3fic h ASN 84 CO 0.05 0.14 0.85 -0.69 -1.65 0.00 0.00 177.43 176.13 3fic s VAL 85 N -3.56 4.04 -1.28 2.81 1.01 -1.15 -1.06 120.40 121.22 3fic s VAL 85 Ca 0.02 0.40 0.26 0.00 0.00 0.00 0.00 61.98 62.66 3fic s VAL 85 Cb 0.09 -4.75 0.12 0.00 0.00 0.00 0.00 36.38 31.84 3fic s VAL 85 CO 0.62 -1.49 1.50 0.54 0.00 0.00 0.00 175.10 176.26 3fic n ARG 86 N 8.44 0.31 -3.56 2.72 1.74 -0.40 -4.89 116.66 121.03 3fic n ARG 86 Ca 0.03 -0.17 -0.13 0.00 -0.77 0.00 0.00 57.85 56.81 3fic n ARG 86 Cb 0.48 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.37 3fic n ARG 86 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3fic s ARG 87 N -2.81 0.75 -0.13 5.56 1.81 -1.25 -4.99 118.95 117.89 3fic s ARG 87 Ca 0.16 0.20 -0.12 0.00 -1.72 0.00 0.00 55.73 54.25 3fic s ARG 87 Cb 0.18 0.35 0.04 0.00 -0.45 0.00 0.00 34.95 35.07 3fic s ARG 87 CO 0.63 -0.23 0.36 0.08 -0.68 0.00 0.00 175.30 175.45 3fic s VAL 88 N -1.11 -0.00 -0.44 3.52 1.01 -1.26 -1.94 120.40 120.18 3fic s VAL 88 Ca -0.05 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.01 3fic s VAL 88 Cb -0.00 -0.50 0.22 0.00 0.00 0.00 0.00 36.38 36.09 3fic s VAL 88 CO 0.04 0.01 0.61 0.80 0.00 0.00 0.00 175.10 176.55 3fic n MET 89 N 3.05 0.58 -1.85 2.72 0.00 -0.84 -4.96 117.12 115.83 3fic n MET 89 Ca -0.14 -2.65 -0.39 0.00 0.00 0.00 0.00 57.70 54.52 3fic n MET 89 Cb 0.57 -1.42 0.02 0.00 0.00 0.00 0.00 33.22 32.39 3fic n MET 89 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3fic s VAL 90 N -0.10 2.20 0.03 1.12 1.01 -1.26 -3.64 120.40 119.75 3fic s VAL 90 Ca 0.33 0.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.33 3fic s VAL 90 Cb 0.13 -3.09 0.02 0.00 0.00 0.00 0.00 36.38 33.44 3fic s VAL 90 CO -0.16 0.02 0.32 -0.69 0.00 0.00 0.00 175.10 174.59 3fic s VAL 91 N -1.25 0.07 0.13 2.92 1.01 -1.20 -4.94 120.40 117.14 3fic s VAL 91 Ca 0.63 -0.60 -0.27 0.00 0.00 0.00 0.00 61.98 61.73 3fic s VAL 91 Cb -0.41 -0.86 -0.07 0.00 0.00 0.00 0.00 36.38 35.04 3fic s VAL 91 CO 0.52 -0.33 0.85 -0.75 0.00 0.00 0.00 175.10 175.40 3fic s LYS 92 N -2.23 4.64 0.52 2.72 2.20 -1.26 0.13 119.74 126.46 3fic s LYS 92 Ca -0.07 1.27 -0.19 0.00 -0.36 0.00 0.00 55.97 56.62 3fic s LYS 92 Cb -0.02 -3.33 -0.07 0.00 -1.51 0.00 0.00 37.83 32.91 3fic s LYS 92 CO -0.01 0.38 1.06 -1.12 -0.36 0.00 0.00 175.35 175.30 3fic s SER 93 N -0.51 6.08 -0.01 1.43 0.01 -0.52 -4.77 113.70 115.42 3fic s SER 93 Ca 0.41 1.95 0.01 0.00 1.31 0.00 0.00 55.95 59.63 3fic s SER 93 Cb -0.23 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.44 3fic s SER 93 CO 0.27 -0.96 -0.03 -1.10 0.41 0.00 0.00 173.24 171.83 3fic s GLN 94 N -3.45 0.24 0.10 12.44 -0.21 -1.26 -4.98 119.66 122.54 3fic s GLN 94 Ca 0.67 -0.08 -0.31 0.00 0.02 0.00 0.00 55.36 55.66 3fic s GLN 94 Cb -0.18 -0.25 -0.09 0.00 1.00 0.00 0.00 33.01 33.49 3fic s GLN 94 CO 0.25 0.04 1.57 -1.21 -2.12 0.00 0.00 175.29 173.83 3fic s GLU 95 N 0.05 4.23 0.25 2.91 2.02 -1.26 -4.88 118.70 122.01 3fic s GLU 95 Ca -0.00 2.28 -0.14 0.00 0.02 0.00 0.00 54.97 57.13 3fic s GLU 95 Cb -0.03 -3.41 -0.10 0.00 0.10 0.00 0.00 34.13 30.69 3fic s GLU 95 CO -0.00 -0.64 0.08 -2.30 0.02 0.00 0.00 175.26 172.41 3fic n PRO 96 N 4.85 0.00 -3.62 0.39 -0.02 -1.26 -5.00 135.00 130.34 3fic n PRO 96 Ca 0.14 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.40 3fic n PRO 96 Cb 0.40 -0.64 -0.17 0.00 -0.02 0.00 0.00 33.50 33.07 3fic n PRO 96 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3fic s PHE 97 N -1.05 0.06 0.31 6.00 5.36 -1.26 -5.15 117.98 122.25 3fic s PHE 97 Ca 0.38 0.01 0.06 0.00 -0.96 0.00 0.00 56.93 56.42 3fic s PHE 97 Cb -0.43 -0.55 -0.06 0.00 -0.34 0.00 0.00 43.02 41.64 3fic s PHE 97 CO 0.40 -0.40 -0.02 -0.48 -1.46 0.00 0.00 175.22 173.27 3fic s LEU 98 N 2.18 2.44 0.20 6.12 0.05 -1.26 -5.15 118.68 123.26 3fic s LEU 98 Ca 0.04 -1.27 -0.00 0.00 0.05 0.00 0.00 54.13 52.95 3fic s LEU 98 Cb -0.14 -0.59 -0.04 0.00 -2.05 0.00 0.00 46.19 43.36 3fic s LEU 98 CO -0.07 -0.43 0.39 0.00 -0.55 0.00 0.00 176.35 175.68 3fic s ALA 99 N -3.06 3.84 -1.01 1.48 0.00 -1.26 -4.45 121.76 117.31 3fic s ALA 99 Ca 0.32 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 3fic s ALA 99 Cb 0.06 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.18 3fic s ALA 99 CO 0.14 0.42 0.85 0.09 0.00 0.00 0.00 175.76 177.26 3fic n ASN 100 N -0.73 -3.67 0.00 0.00 5.03 -1.26 -5.35 115.26 109.29 3fic n ASN 100 Ca -0.05 -0.58 0.00 0.00 0.87 0.00 0.00 54.58 54.82 3fic n ASN 100 Cb 0.54 -4.62 0.00 0.00 -1.02 0.00 0.00 39.78 34.68 3fic n ASN 100 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43