#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fic s GLN 3 N 0.00 4.58 -0.30 5.31 -0.21 -1.26 -4.51 119.66 123.27 3fic s GLN 3 Ca 0.00 1.19 -0.00 0.00 0.02 0.00 0.00 55.36 56.57 3fic s GLN 3 Cb 0.00 -3.32 0.09 0.00 1.00 0.00 0.00 33.01 30.79 3fic s GLN 3 CO 0.00 0.41 0.08 0.71 -2.12 0.00 0.00 175.29 174.37 3fic s TYR 4 N -0.59 1.90 0.10 0.91 1.51 -1.20 -4.92 117.35 115.05 3fic s TYR 4 Ca 0.39 -1.79 0.07 0.00 -1.01 0.00 0.00 57.07 54.73 3fic s TYR 4 Cb -0.22 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 3fic s TYR 4 CO 0.26 -0.86 -0.11 -0.47 -1.11 0.00 0.00 175.55 173.26 3fic s TYR 5 N 1.55 2.71 -0.01 2.71 6.14 -1.25 0.53 117.35 129.73 3fic s TYR 5 Ca 0.08 -0.17 -0.01 0.00 0.64 0.00 0.00 57.07 57.61 3fic s TYR 5 Cb -0.17 -1.43 0.01 0.00 0.42 0.00 0.00 41.96 40.79 3fic s TYR 5 CO -0.21 0.41 0.03 0.20 0.64 0.00 0.00 175.55 176.62 3fic s GLY 6 N -2.15 0.01 -0.41 8.97 0.00 -0.83 -4.21 107.32 108.69 3fic s GLY 6 Ca 0.21 0.13 -0.29 0.00 0.00 0.00 0.00 44.72 44.77 3fic s GLY 6 CO 0.13 0.22 1.43 -1.59 0.00 0.00 0.00 173.10 173.29 3fic s THR 7 N 0.27 3.88 -0.34 0.90 2.01 -1.26 -2.68 115.64 118.42 3fic s THR 7 Ca -0.02 0.89 -0.18 0.00 0.31 0.00 0.00 61.69 62.69 3fic s THR 7 Cb -0.03 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.29 3fic s THR 7 CO -0.01 -0.75 0.52 -0.83 -0.69 0.00 0.00 174.62 172.86 3fic s GLY 8 N 4.06 1.82 -0.12 4.40 0.00 0.30 -4.45 107.32 113.34 3fic s GLY 8 Ca 0.62 -0.94 -0.05 0.00 0.00 0.00 0.00 44.72 44.35 3fic s GLY 8 CO 0.33 1.27 0.26 -1.60 0.00 0.00 0.00 173.10 173.36 3fic s ARG 9 N 2.40 0.20 -0.29 2.90 3.52 -1.25 0.39 118.95 126.82 3fic s ARG 9 Ca 0.19 0.60 0.01 0.00 -0.13 0.00 0.00 55.73 56.41 3fic s ARG 9 Cb -0.15 -0.09 0.20 0.00 -1.56 0.00 0.00 34.95 33.34 3fic s ARG 9 CO 0.13 -0.19 0.70 0.50 -0.81 0.00 0.00 175.30 175.63 3fic s ARG 10 N 1.56 0.46 -0.39 5.12 3.00 0.69 -4.71 118.95 124.67 3fic s ARG 10 Ca -0.07 0.48 -0.14 0.00 -1.00 0.00 0.00 55.73 55.00 3fic s ARG 10 Cb -0.11 0.22 0.02 0.00 0.00 0.00 0.00 34.95 35.09 3fic s ARG 10 CO -0.09 -0.83 0.45 1.17 0.00 0.00 0.00 175.30 176.00 3fic n LYS 11 N 5.35 -2.55 -3.59 5.12 4.81 -1.26 -3.46 118.16 122.57 3fic n LYS 11 Ca 0.05 2.19 -0.26 0.00 -0.87 0.00 0.00 58.31 59.42 3fic n LYS 11 Cb 0.55 -5.19 -0.01 0.00 0.02 0.00 0.00 35.03 30.40 3fic n LYS 11 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3fic n GLU 12 N -0.01 -3.09 -3.63 1.64 -0.58 -1.26 -4.78 120.64 108.93 3fic n GLU 12 Ca 0.07 0.39 -0.22 0.00 -0.42 0.00 0.00 57.16 56.98 3fic n GLU 12 Cb 0.37 -5.08 -0.17 0.00 -0.57 0.00 0.00 31.44 26.00 3fic n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3fic s ALA 13 N -2.96 0.21 -0.32 0.62 0.00 -1.23 -1.43 121.76 116.64 3fic s ALA 13 Ca 0.49 0.04 -0.06 0.00 0.00 0.00 0.00 51.96 52.43 3fic s ALA 13 Cb -0.26 -0.89 0.03 0.00 0.00 0.00 0.00 23.12 22.00 3fic s ALA 13 CO 0.60 -0.85 0.09 0.08 0.00 0.00 0.00 175.76 175.67 3fic s VAL 14 N 2.19 3.73 -0.12 0.00 1.01 -0.41 -0.22 120.40 126.58 3fic s VAL 14 Ca 0.04 -1.04 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 3fic s VAL 14 Cb -0.14 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 3fic s VAL 14 CO -0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 175.10 174.90 3fic s ALA 15 N 1.41 3.09 -0.41 5.51 0.00 1.27 0.85 121.76 133.48 3fic s ALA 15 Ca -0.01 -0.82 -0.14 0.00 0.00 0.00 0.00 51.96 50.99 3fic s ALA 15 Cb -0.19 -1.49 0.03 0.00 0.00 0.00 0.00 23.12 21.47 3fic s ALA 15 CO 0.02 0.37 0.29 1.03 0.00 0.00 0.00 175.76 177.47 3fic s ARG 16 N -0.16 2.92 -0.18 0.00 0.52 -0.27 0.11 118.95 121.90 3fic s ARG 16 Ca 0.03 -1.09 -0.10 0.00 -0.52 0.00 0.00 55.73 54.05 3fic s ARG 16 Cb -0.13 -3.94 -0.05 0.00 0.52 0.00 0.00 34.95 31.36 3fic s ARG 16 CO 0.02 -0.78 0.16 0.08 0.02 0.00 0.00 175.30 174.80 3fic s VAL 17 N 1.64 5.41 -0.04 3.52 1.01 -1.09 -1.07 120.40 129.77 3fic s VAL 17 Ca 0.04 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.30 3fic s VAL 17 Cb -0.20 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3fic s VAL 17 CO 0.09 0.46 -0.13 -0.36 0.00 0.00 0.00 175.10 175.16 3fic s PHE 18 N 0.15 1.38 -0.22 5.22 2.99 -0.95 -1.96 117.98 124.58 3fic s PHE 18 Ca 0.10 -0.41 0.01 0.00 0.00 0.00 0.00 56.93 56.64 3fic s PHE 18 Cb -0.11 -0.96 0.05 0.00 0.00 0.00 0.00 43.02 41.99 3fic s PHE 18 CO -0.00 -0.17 -0.09 -0.51 -0.00 0.00 0.00 175.22 174.45 3fic s LEU 19 N 0.24 2.63 -0.24 -0.37 1.43 0.19 0.42 118.68 122.98 3fic s LEU 19 Ca -0.06 -1.10 -0.04 0.00 -1.03 0.00 0.00 54.13 51.90 3fic s LEU 19 Cb -0.11 -1.28 -0.00 0.00 0.03 0.00 0.00 46.19 44.82 3fic s LEU 19 CO 0.02 -0.19 -0.02 -0.13 0.23 0.00 0.00 176.35 176.27 3fic s ARG 20 N 1.33 3.29 0.77 1.70 3.00 -1.12 -3.26 118.95 124.67 3fic s ARG 20 Ca -0.04 -0.69 -0.15 0.00 0.00 0.00 0.00 55.73 54.84 3fic s ARG 20 Cb -0.18 -3.09 -0.02 0.00 0.00 0.00 0.00 34.95 31.66 3fic s ARG 20 CO -0.07 -0.26 0.50 -2.30 0.00 0.00 0.00 175.30 173.18 3fic n PRO 21 N 4.80 0.18 0.00 3.54 -0.02 -1.25 0.26 135.00 142.51 3fic n PRO 21 Ca -0.17 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3fic n PRO 21 Cb 0.50 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 3fic n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fic n GLY 22 N 1.62 0.51 0.00 -1.23 0.00 0.31 -4.43 105.19 101.97 3fic n GLY 22 Ca 0.09 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3fic n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fic n ASN 23 N 0.00 0.00 0.00 1.61 5.03 -1.26 -3.71 115.26 116.92 3fic n ASN 23 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3fic n ASN 23 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3fic n ASN 23 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3fic n GLY 24 N 0.00 0.42 3.53 7.41 0.00 -1.26 -2.81 105.19 112.47 3fic n GLY 24 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 3fic n GLY 24 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3fic n LYS 25 N 0.00 0.85 -4.96 1.61 2.85 -1.26 -4.57 118.16 112.67 3fic n LYS 25 Ca 0.00 0.30 -0.28 0.00 -1.05 0.00 0.00 58.31 57.28 3fic n LYS 25 Cb 0.06 -1.60 -0.16 0.00 -0.65 0.00 0.00 35.03 32.68 3fic n LYS 25 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3fic s VAL 26 N -0.78 1.62 0.10 0.58 1.01 -1.26 -2.06 120.40 119.61 3fic s VAL 26 Ca 0.65 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.88 3fic s VAL 26 Cb -0.83 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 3fic s VAL 26 CO 0.57 0.46 -0.15 -0.89 0.00 0.00 0.00 175.10 175.09 3fic s THR 27 N 0.07 1.27 -0.12 3.92 2.01 -0.71 -1.62 115.64 120.47 3fic s THR 27 Ca -0.06 -1.52 -0.07 0.00 0.31 0.00 0.00 61.69 60.34 3fic s THR 27 Cb -0.13 -1.34 0.04 0.00 0.01 0.00 0.00 72.50 71.08 3fic s THR 27 CO 0.03 -0.30 0.28 -0.69 -0.69 0.00 0.00 174.62 173.26 3fic s VAL 28 N -1.67 -0.03 -0.96 3.82 1.01 -0.62 0.40 120.40 122.35 3fic s VAL 28 Ca 0.04 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 3fic s VAL 28 Cb -0.08 -0.42 0.12 0.00 0.00 0.00 0.00 36.38 36.01 3fic s VAL 28 CO 0.03 0.04 0.31 0.59 0.00 0.00 0.00 175.10 176.06 3fic n ASN 29 N 3.85 -1.11 -0.10 3.32 4.13 -1.00 -0.39 115.26 123.96 3fic n ASN 29 Ca -0.21 -0.55 0.00 0.00 1.68 0.00 0.00 54.58 55.50 3fic n ASN 29 Cb 0.55 -0.99 0.00 0.00 -1.54 0.00 0.00 39.78 37.80 3fic n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3fic n GLY 30 N -0.74 0.86 3.34 7.41 0.00 -1.26 -5.09 105.19 109.71 3fic n GLY 30 Ca 0.06 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 3fic n GLY 30 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fic s GLN 31 N -3.31 1.10 -0.01 1.61 -0.21 0.47 -5.12 119.66 114.20 3fic s GLN 31 Ca 0.00 -0.62 -0.30 0.00 0.02 0.00 0.00 55.36 54.46 3fic s GLN 31 Cb 0.00 0.49 -0.06 0.00 1.00 0.00 0.00 33.01 34.44 3fic s GLN 31 CO 0.00 -0.44 1.54 0.34 -2.12 0.00 0.00 175.29 174.61 3fic s ASP 32 N -2.71 6.73 0.02 5.90 -1.08 -1.26 -1.60 116.67 122.67 3fic s ASP 32 Ca 0.02 2.23 -0.03 0.00 -0.52 0.00 0.00 52.55 54.25 3fic s ASP 32 Cb 0.01 -2.55 -0.01 0.00 -1.46 0.00 0.00 42.92 38.91 3fic s ASP 32 CO -0.11 -0.83 0.67 0.33 0.52 0.00 0.00 175.17 175.75 3fic n PHE 33 N 6.03 -0.05 0.18 -5.34 7.35 -0.64 0.15 117.46 125.15 3fic n PHE 33 Ca 0.15 0.13 0.01 0.00 -0.76 0.00 0.00 57.45 56.98 3fic n PHE 33 Cb 0.43 -0.35 0.05 0.00 0.35 0.00 0.00 39.48 39.96 3fic n PHE 33 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3fic n ASN 34 N -2.98 0.00 -0.05 -2.13 4.13 -1.26 -2.01 115.26 110.96 3fic n ASN 34 Ca 0.00 -0.13 -0.08 0.00 1.68 0.00 0.00 54.58 56.06 3fic n ASN 34 Cb 0.03 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.22 3fic n ASN 34 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3fic n GLU 35 N -0.79 0.27 0.26 3.52 2.13 0.41 -4.05 120.64 122.39 3fic n GLU 35 Ca 0.01 0.06 0.15 0.00 0.66 0.00 0.00 57.16 58.05 3fic n GLU 35 Cb 0.01 -1.22 0.60 0.00 0.27 0.00 0.00 31.44 31.09 3fic n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 3fic h TYR 36 N 0.00 0.00 -0.90 4.31 3.20 -0.44 -2.92 116.97 120.22 3fic h TYR 36 Ca -0.24 0.00 -0.56 0.00 3.14 0.00 0.00 58.73 61.07 3fic h TYR 36 Cb 1.38 0.00 -0.43 0.00 1.54 0.00 0.00 36.73 39.22 3fic h TYR 36 CO 0.01 0.06 -0.79 1.19 -1.64 0.00 0.00 178.16 176.99 3fic n PHE 37 N -3.18 2.88 -2.54 -3.82 0.99 -0.85 -5.04 117.46 105.90 3fic n PHE 37 Ca 0.01 -2.40 -0.43 0.00 -0.00 0.00 0.00 57.45 54.64 3fic n PHE 37 Cb 0.35 -0.30 -0.02 0.00 -1.00 0.00 0.00 39.48 38.51 3fic n PHE 37 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 3fic s GLN 38 N -3.59 4.33 0.00 -1.08 0.74 -1.11 -3.35 119.66 115.60 3fic s GLN 38 Ca 0.50 1.55 0.00 0.00 0.05 0.00 0.00 55.36 57.47 3fic s GLN 38 Cb 0.41 -3.61 0.00 0.00 1.10 0.00 0.00 33.01 30.91 3fic s GLN 38 CO -0.00 -0.50 0.00 0.41 -0.55 0.00 0.00 175.29 174.65 3fic n GLY 39 N 3.34 3.29 3.60 2.59 0.00 -1.26 -5.05 105.19 111.70 3fic n GLY 39 Ca 0.11 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 3fic n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fic s LEU 40 N 0.00 3.48 0.00 0.99 1.43 -1.21 -4.82 118.68 118.54 3fic s LEU 40 Ca 0.00 1.36 0.09 0.00 -1.03 0.00 0.00 54.13 54.55 3fic s LEU 40 Cb 0.00 -3.43 0.56 0.00 0.03 0.00 0.00 46.19 43.36 3fic s LEU 40 CO 0.00 -1.83 1.13 0.52 0.23 0.00 0.00 176.35 176.40 3fic n VAL 41 N 7.49 0.00 0.71 -1.59 0.31 -1.26 -1.68 118.33 122.31 3fic n VAL 41 Ca 0.24 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.66 3fic n VAL 41 Cb 0.47 -0.36 0.05 0.00 -0.91 0.00 0.00 33.84 33.09 3fic n VAL 41 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3fic n ARG 42 N -0.71 1.46 0.41 5.55 0.63 -1.26 -4.56 116.66 118.18 3fic n ARG 42 Ca 0.07 -1.31 -0.19 0.00 -0.92 0.00 0.00 57.85 55.50 3fic n ARG 42 Cb 0.03 -1.31 -0.09 0.00 0.45 0.00 0.00 32.46 31.54 3fic n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3fic h ALA 43 N 3.19 -1.15 0.00 5.13 0.00 -1.64 -2.00 119.26 122.79 3fic h ALA 43 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3fic h ALA 43 Cb 0.66 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3fic h ALA 43 CO 0.00 -1.16 0.00 1.33 0.00 0.00 0.00 179.25 179.42 3fic n VAL 44 N -5.59 0.00 0.01 0.00 0.24 -1.26 -1.43 118.33 110.30 3fic n VAL 44 Ca -0.14 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.05 3fic n VAL 44 Cb 0.47 -0.84 -0.14 0.00 -1.47 0.00 0.00 33.84 31.86 3fic n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fic h ALA 45 N 1.42 0.60 0.00 2.33 0.00 -1.66 -3.35 119.26 118.59 3fic h ALA 45 Ca 0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 54.91 53.57 3fic h ALA 45 Cb 0.00 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3fic h ALA 45 CO 0.00 1.44 -0.13 0.00 0.00 0.00 0.00 179.25 180.56 3fic h ALA 46 N 0.84 1.32 -0.00 0.00 0.00 -1.37 -2.11 119.26 117.93 3fic h ALA 46 Ca -0.24 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3fic h ALA 46 Cb 1.97 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.74 3fic h ALA 46 CO 0.10 0.17 -0.36 1.28 0.00 0.00 0.00 179.25 180.43 3fic n LEU 47 N -3.71 0.72 -0.13 0.00 4.32 -1.26 -4.17 117.00 112.78 3fic n LEU 47 Ca -0.02 -0.11 0.28 0.00 -0.02 0.00 0.00 56.01 56.14 3fic n LEU 47 Cb 0.25 -0.19 0.72 0.00 -1.62 0.00 0.00 43.42 42.57 3fic n LEU 47 CO 0.31 0.15 1.25 -0.08 -1.22 0.00 0.00 177.39 177.80 3fic h GLU 48 N 0.56 0.00 -0.58 3.23 4.57 -1.51 -1.76 114.58 119.10 3fic h GLU 48 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 3fic h GLU 48 Cb 0.50 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 3fic h GLU 48 CO 0.00 0.00 0.20 -1.00 -1.18 0.00 0.00 179.01 177.03 3fic h PRO 49 N 0.00 0.88 -0.81 0.92 0.13 -1.80 -2.51 132.00 128.81 3fic h PRO 49 Ca 0.39 -0.18 -0.02 0.00 -0.87 0.00 0.00 66.00 65.33 3fic h PRO 49 Cb 1.72 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.68 3fic h PRO 49 CO -0.00 0.78 0.44 -0.07 -0.23 0.00 0.00 178.00 178.91 3fic h LEU 50 N 0.80 1.01 -0.58 1.56 3.38 -1.65 -2.21 115.31 117.63 3fic h LEU 50 Ca 0.19 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3fic h LEU 50 Cb 0.25 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3fic h LEU 50 CO -0.01 0.81 0.00 0.54 0.09 0.00 0.00 178.44 179.87 3fic n ARG 51 N -4.34 0.20 -2.74 1.13 1.74 -0.94 0.20 116.66 111.90 3fic n ARG 51 Ca 0.08 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.08 3fic n ARG 51 Cb 0.10 -1.06 0.07 0.00 -1.02 0.00 0.00 32.46 30.55 3fic n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fic n ALA 52 N 0.02 -1.25 0.00 7.54 0.00 -0.83 -3.03 120.51 122.96 3fic n ALA 52 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.07 3fic n ALA 52 Cb 0.03 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.12 3fic n ALA 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3fic n VAL 53 N 1.06 0.00 0.00 0.00 0.24 -1.13 -4.96 118.33 113.55 3fic n VAL 53 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 3fic n VAL 53 Cb 0.67 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 3fic n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3fic n ASP 54 N -0.16 0.00 -3.92 -1.34 8.00 0.54 -5.11 116.55 114.55 3fic n ASP 54 Ca 0.00 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 3fic n ASP 54 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 3fic n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fic n ALA 55 N 0.00 4.40 -0.13 2.24 0.00 -0.96 -4.79 120.51 121.28 3fic n ALA 55 Ca 0.00 -4.72 -0.27 0.00 0.00 0.00 0.00 53.44 48.45 3fic n ALA 55 Cb 0.00 -1.80 -0.09 0.00 0.00 0.00 0.00 19.45 17.56 3fic n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3fic n LEU 56 N 1.61 1.95 -2.48 0.00 0.00 -1.26 -4.50 117.00 112.32 3fic n LEU 56 Ca 0.26 0.35 -0.13 0.00 0.00 0.00 0.00 56.01 56.48 3fic n LEU 56 Cb 0.37 -0.83 -0.08 0.00 0.00 0.00 0.00 43.42 42.87 3fic n LEU 56 CO 0.51 0.46 1.65 0.61 0.00 0.00 0.00 177.39 180.62 3fic n GLY 57 N 1.29 2.64 0.00 -3.96 0.00 -1.26 -3.31 105.19 100.58 3fic n GLY 57 Ca -0.48 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3fic n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fic n ARG 58 N 3.08 2.92 -4.01 1.61 1.74 -1.12 -4.85 116.66 116.03 3fic n ARG 58 Ca 0.36 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 57.12 3fic n ARG 58 Cb 0.47 -0.31 -0.15 0.00 -1.02 0.00 0.00 32.46 31.45 3fic n ARG 58 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3fic s PHE 59 N -0.21 3.02 -1.17 -1.55 0.40 -1.21 0.12 117.98 117.38 3fic s PHE 59 Ca 0.00 -2.22 -0.21 0.00 -0.60 0.00 0.00 56.93 53.89 3fic s PHE 59 Cb 0.00 -1.94 -0.02 0.00 0.51 0.00 0.00 43.02 41.57 3fic s PHE 59 CO 0.00 -0.86 1.82 -0.51 0.70 0.00 0.00 175.22 176.38 3fic s ASP 60 N 1.18 5.78 0.15 1.36 1.01 0.73 -4.53 116.67 122.35 3fic s ASP 60 Ca -0.05 -1.78 -0.31 0.00 0.71 0.00 0.00 52.55 51.12 3fic s ASP 60 Cb -0.19 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.07 3fic s ASP 60 CO -0.06 -2.26 1.45 0.00 0.21 0.00 0.00 175.17 174.51 3fic s ALA 61 N 8.10 3.66 -0.38 5.23 0.00 -0.88 -2.79 121.76 134.71 3fic s ALA 61 Ca 0.62 1.23 0.02 0.00 0.00 0.00 0.00 51.96 53.82 3fic s ALA 61 Cb 0.00 -3.57 0.11 0.00 0.00 0.00 0.00 23.12 19.66 3fic s ALA 61 CO 0.07 -0.68 0.13 -0.47 0.00 0.00 0.00 175.76 174.81 3fic s TYR 62 N 0.99 3.66 0.29 0.00 5.04 0.17 -1.74 117.35 125.76 3fic s TYR 62 Ca 0.66 -2.84 0.08 0.00 -2.44 0.00 0.00 57.07 52.53 3fic s TYR 62 Cb -0.40 -3.02 -0.04 0.00 0.35 0.00 0.00 41.96 38.86 3fic s TYR 62 CO 0.32 -0.94 0.18 0.42 -1.34 0.00 0.00 175.55 174.19 3fic s ILE 63 N 0.84 3.85 -0.35 3.14 1.09 0.16 -2.24 121.20 127.71 3fic s ILE 63 Ca 0.11 -1.52 0.04 0.00 -1.10 0.00 0.00 60.65 58.17 3fic s ILE 63 Cb -0.21 -3.19 0.16 0.00 -1.06 0.00 0.00 42.46 38.16 3fic s ILE 63 CO -0.06 -0.29 0.45 -0.89 -0.10 0.00 0.00 174.94 174.05 3fic s THR 64 N -2.25 -0.59 -0.09 2.92 2.01 -0.23 -2.37 115.64 115.04 3fic s THR 64 Ca 0.35 -0.51 -0.14 0.00 0.31 0.00 0.00 61.69 61.71 3fic s THR 64 Cb -0.06 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.74 3fic s THR 64 CO 0.24 -0.34 0.33 0.54 -0.69 0.00 0.00 174.62 174.70 3fic s VAL 65 N 1.95 5.23 -0.01 3.82 0.11 -1.26 -1.11 120.40 129.13 3fic s VAL 65 Ca 0.14 0.64 0.01 0.00 -2.93 0.00 0.00 61.98 59.84 3fic s VAL 65 Cb -0.12 -3.64 0.01 0.00 -1.53 0.00 0.00 36.38 31.10 3fic s VAL 65 CO -0.15 0.48 -0.04 -0.60 -3.33 0.00 0.00 175.10 171.47 3fic s ARG 66 N -0.29 0.47 0.00 1.54 3.52 0.25 -4.77 118.95 119.67 3fic s ARG 66 Ca 0.20 -0.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.67 3fic s ARG 66 Cb -0.14 -0.49 0.00 0.00 -1.56 0.00 0.00 34.95 32.75 3fic s ARG 66 CO 0.08 0.04 0.00 0.41 -0.81 0.00 0.00 175.30 175.02 3fic n GLY 67 N 3.32 -0.88 0.00 8.12 0.00 -1.26 -1.28 105.19 113.21 3fic n GLY 67 Ca -0.17 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.60 3fic n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fic n GLY 68 N 0.74 -0.08 3.46 -0.02 0.00 -0.52 -3.64 105.19 105.13 3fic n GLY 68 Ca 0.00 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.84 3fic n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fic s GLY 69 N 0.00 1.59 0.29 -0.02 0.00 -1.26 -4.96 107.32 102.96 3fic s GLY 69 Ca 0.00 -1.23 0.03 0.00 0.00 0.00 0.00 44.72 43.52 3fic s GLY 69 CO 0.00 -1.13 1.47 1.17 0.00 0.00 0.00 173.10 174.60 3fic n LYS 70 N 1.42 -0.07 -0.07 2.90 3.00 -1.26 0.15 118.16 124.23 3fic n LYS 70 Ca -0.16 1.40 -0.12 0.00 -0.00 0.00 0.00 58.31 59.42 3fic n LYS 70 Cb 0.52 -2.24 -0.06 0.00 0.00 0.00 0.00 35.03 33.26 3fic n LYS 70 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3fic h SER 71 N 0.00 0.45 -0.61 3.14 0.87 -1.99 -1.06 113.55 114.35 3fic h SER 71 Ca 0.58 -0.42 0.08 0.00 -1.23 0.00 0.00 61.79 60.80 3fic h SER 71 Cb 1.22 -0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 62.99 3fic h SER 71 CO -0.87 0.77 0.27 1.23 -0.53 0.00 0.00 176.83 177.70 3fic h GLY 72 N 0.13 0.87 0.43 5.77 0.00 0.11 0.50 103.07 110.88 3fic h GLY 72 Ca 0.04 -0.16 0.08 0.00 0.00 0.00 0.00 47.33 47.29 3fic h GLY 72 CO 0.03 0.03 0.13 1.46 0.00 0.00 0.00 176.54 178.19 3fic h GLN 73 N 0.48 0.27 -0.34 4.80 4.20 0.15 0.36 115.11 125.03 3fic h GLN 73 Ca 0.30 -0.02 0.10 0.00 0.06 0.00 0.00 58.65 59.09 3fic h GLN 73 Cb 0.32 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3fic h GLN 73 CO -0.26 0.18 0.29 0.82 -0.67 0.00 0.00 178.83 179.19 3fic h ILE 74 N 0.28 0.62 0.01 2.54 2.04 0.40 0.18 117.51 123.58 3fic h ILE 74 Ca 0.24 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.10 3fic h ILE 74 Cb 0.30 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3fic h ILE 74 CO -0.29 0.00 -0.00 0.44 0.00 0.00 0.00 178.15 178.29 3fic h ASP 75 N 0.00 -0.01 -0.71 1.72 3.32 0.70 -1.47 116.42 119.98 3fic h ASP 75 Ca 0.16 -0.75 0.13 0.00 0.02 0.00 0.00 57.03 56.60 3fic h ASP 75 Cb 0.74 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.20 3fic h ASP 75 CO -0.00 0.76 0.24 0.00 -1.72 0.00 0.00 179.24 178.52 3fic h ALA 76 N 0.16 0.95 0.37 3.45 0.00 0.61 -1.68 119.26 123.12 3fic h ALA 76 Ca -0.00 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3fic h ALA 76 Cb 0.76 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3fic h ALA 76 CO 0.00 -0.24 -0.18 0.82 0.00 0.00 0.00 179.25 179.65 3fic h ILE 77 N 0.38 0.64 0.00 0.00 2.04 -0.77 -1.81 117.51 118.00 3fic h ILE 77 Ca 0.38 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 66.10 3fic h ILE 77 Cb 0.58 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 3fic h ILE 77 CO -0.41 0.03 0.24 1.17 0.00 0.00 0.00 178.15 179.18 3fic n LYS 78 N -5.27 0.06 -0.11 2.37 4.81 -0.55 0.03 118.16 119.50 3fic n LYS 78 Ca -0.11 0.47 -0.14 0.00 -0.87 0.00 0.00 58.31 57.67 3fic n LYS 78 Cb 0.24 -1.93 -0.14 0.00 0.02 0.00 0.00 35.03 33.21 3fic n LYS 78 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3fic n LEU 79 N -1.78 1.42 -0.01 3.14 -0.00 -0.88 -4.11 117.00 114.78 3fic n LEU 79 Ca -0.01 -0.05 -0.13 0.00 -0.00 0.00 0.00 56.01 55.82 3fic n LEU 79 Cb 0.26 -0.18 -0.09 0.00 -0.00 0.00 0.00 43.42 43.40 3fic n LEU 79 CO 0.04 0.71 0.67 1.23 -0.00 0.00 0.00 177.39 180.03 3fic h GLY 80 N 3.03 0.02 0.99 -3.96 0.00 0.43 0.86 103.07 104.44 3fic h GLY 80 Ca -0.56 -0.02 0.07 0.00 0.00 0.00 0.00 47.33 46.83 3fic h GLY 80 CO -0.02 0.02 0.44 -2.22 0.00 0.00 0.00 176.54 174.75 3fic h ILE 81 N -0.39 0.20 0.00 2.60 1.08 -1.27 1.16 117.51 120.89 3fic h ILE 81 Ca 0.00 0.00 -0.34 0.00 -0.39 0.00 0.00 64.86 64.13 3fic h ILE 81 Cb 0.42 0.62 -0.05 0.00 -3.07 0.00 0.00 36.82 34.74 3fic h ILE 81 CO 0.00 0.00 -1.88 0.00 -0.69 0.00 0.00 178.15 175.59 3fic n ALA 82 N -2.12 0.98 0.23 1.87 0.00 -0.90 -3.51 120.51 117.06 3fic n ALA 82 Ca 0.04 -0.78 0.06 0.00 0.00 0.00 0.00 53.44 52.75 3fic n ALA 82 Cb 0.56 -0.22 0.52 0.00 0.00 0.00 0.00 19.45 20.30 3fic n ALA 82 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3fic h ARG 83 N -1.00 0.00 0.34 0.00 2.43 0.16 0.41 114.38 116.72 3fic h ARG 83 Ca -0.52 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.63 3fic h ARG 83 Cb 1.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 3fic h ARG 83 CO -0.31 0.18 -0.16 0.00 -1.51 0.00 0.00 179.97 178.16 3fic h ALA 84 N 1.82 -0.46 0.00 2.80 0.00 0.12 -3.28 119.26 120.27 3fic h ALA 84 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3fic h ALA 84 Cb 0.31 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3fic h ALA 84 CO 0.02 -0.47 0.00 1.47 0.00 0.00 0.00 179.25 180.27 3fic n LEU 85 N -5.09 0.41 0.07 0.00 -0.00 -1.17 -2.40 117.00 108.81 3fic n LEU 85 Ca -0.08 0.58 -0.05 0.00 -0.00 0.00 0.00 56.01 56.46 3fic n LEU 85 Cb 0.24 -0.50 0.14 0.00 -0.00 0.00 0.00 43.42 43.30 3fic n LEU 85 CO 0.21 -0.34 0.53 1.62 -0.00 0.00 0.00 177.39 179.42 3fic h VAL 86 N 0.00 1.35 0.91 1.47 3.04 -0.97 -3.21 116.25 118.83 3fic h VAL 86 Ca 0.00 -1.79 -0.04 0.00 -1.01 0.00 0.00 66.70 63.86 3fic h VAL 86 Cb 0.40 1.84 0.01 0.00 -2.01 0.00 0.00 31.29 31.53 3fic h VAL 86 CO 0.00 0.54 -0.44 -0.61 -1.01 0.00 0.00 177.57 176.05 3fic h GLN 87 N 0.25 -1.17 -2.26 4.17 4.15 -1.53 -3.19 115.11 115.52 3fic h GLN 87 Ca 0.01 0.08 -0.33 0.00 0.77 0.00 0.00 58.65 59.18 3fic h GLN 87 Cb 1.01 0.27 -0.05 0.00 0.21 0.00 0.00 27.48 28.92 3fic h GLN 87 CO 0.09 -0.78 0.75 0.66 -1.93 0.00 0.00 178.83 177.62 3fic n TYR 88 N -5.60 0.69 0.00 3.99 4.02 -1.21 -4.13 117.16 114.92 3fic n TYR 88 Ca -0.16 -1.93 0.00 0.00 -0.01 0.00 0.00 57.90 55.80 3fic n TYR 88 Cb 0.48 -1.83 0.00 0.00 -0.02 0.00 0.00 39.34 37.98 3fic n TYR 88 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3fic n ASN 89 N 2.72 0.00 0.00 7.72 3.02 -1.21 -5.01 115.26 122.50 3fic n ASN 89 Ca 0.53 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 3fic n ASN 89 Cb 0.73 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.90 3fic n ASN 89 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3fic n PRO 90 N 0.00 0.00 -0.00 3.52 -0.04 -1.26 -0.93 135.00 136.29 3fic n PRO 90 Ca 0.00 0.13 0.04 0.00 -0.04 0.00 0.00 63.50 63.63 3fic n PRO 90 Cb 0.00 -1.53 -0.06 0.00 -0.04 0.00 0.00 33.50 31.87 3fic n PRO 90 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3fic n ASP 91 N -1.07 2.82 -0.20 3.54 8.00 -1.26 -4.57 116.55 123.81 3fic n ASP 91 Ca 0.00 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.43 3fic n ASP 91 Cb 0.03 1.35 0.00 0.00 -0.02 0.00 0.00 41.12 42.47 3fic n ASP 91 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3fic n TYR 92 N -1.74 0.00 0.26 1.24 4.02 -0.11 -2.71 117.16 118.13 3fic n TYR 92 Ca -0.01 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.03 3fic n TYR 92 Cb 0.21 -0.02 0.60 0.00 -0.02 0.00 0.00 39.34 40.12 3fic n TYR 92 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3fic h ARG 93 N 0.22 0.00 -3.87 -0.72 9.65 -1.81 -3.35 114.38 114.51 3fic h ARG 93 Ca 0.00 0.00 -0.68 0.00 -1.10 0.00 0.00 59.98 58.20 3fic h ARG 93 Cb 0.09 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 3fic h ARG 93 CO 0.00 0.04 3.10 0.00 2.80 0.00 0.00 179.97 185.91 3fic n ALA 94 N -2.11 5.50 0.00 2.80 0.00 -1.10 -3.04 120.51 122.56 3fic n ALA 94 Ca 0.01 -3.62 0.00 0.00 0.00 0.00 0.00 53.44 49.82 3fic n ALA 94 Cb 0.35 -3.50 0.00 0.00 0.00 0.00 0.00 19.45 16.30 3fic n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3fic n LYS 95 N 5.70 0.00 0.20 0.00 -0.00 -1.25 -4.90 118.16 117.91 3fic n LYS 95 Ca 0.56 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 59.01 3fic n LYS 95 Cb 0.35 0.00 0.43 0.00 -0.00 0.00 0.00 35.03 35.81 3fic n LYS 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3fic h LEU 96 N 0.00 0.00 0.00 -5.58 5.85 -1.70 -1.14 115.31 112.74 3fic h LEU 96 Ca 0.00 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.41 3fic h LEU 96 Cb 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 3fic h LEU 96 CO 0.00 0.00 -2.06 1.17 -0.34 0.00 0.00 178.44 177.21 3fic n LYS 97 N -2.78 0.41 0.08 1.25 3.00 -1.23 -2.97 118.16 115.92 3fic n LYS 97 Ca 0.03 0.17 -0.13 0.00 -0.00 0.00 0.00 58.31 58.38 3fic n LYS 97 Cb 0.39 -1.20 -0.08 0.00 0.00 0.00 0.00 35.03 34.13 3fic n LYS 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 3fic h PRO 98 N -0.58 -0.21 -2.53 1.64 0.11 -1.80 -3.28 132.00 125.34 3fic h PRO 98 Ca -0.47 0.01 -0.69 0.00 0.11 0.00 0.00 66.00 64.96 3fic h PRO 98 Cb 1.45 0.05 -0.12 0.00 0.11 0.00 0.00 31.00 32.49 3fic h PRO 98 CO -0.26 0.15 2.14 -0.11 -0.21 0.00 0.00 178.00 179.71 3fic n LEU 99 N -5.01 7.80 -0.07 2.35 -0.00 -0.43 -4.91 117.00 116.73 3fic n LEU 99 Ca -0.09 -4.69 0.00 0.00 -0.00 0.00 0.00 56.01 51.23 3fic n LEU 99 Cb 0.24 -1.35 0.00 0.00 -0.00 0.00 0.00 43.42 42.30 3fic n LEU 99 CO 0.31 2.01 0.00 0.61 -0.00 0.00 0.00 177.39 180.32 3fic n GLY 100 N 1.72 0.00 0.34 -3.96 0.00 -1.24 -4.72 105.19 97.33 3fic n GLY 100 Ca 0.61 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.67 3fic n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fic n PHE 101 N -0.01 0.27 -3.82 1.61 0.99 -1.18 -4.93 117.46 110.39 3fic n PHE 101 Ca 0.00 -0.61 -0.29 0.00 -0.00 0.00 0.00 57.45 56.55 3fic n PHE 101 Cb 0.00 -0.08 -0.16 0.00 -1.00 0.00 0.00 39.48 38.24 3fic n PHE 101 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 3fic s LEU 102 N -1.44 2.22 -0.30 4.37 0.20 -1.16 -4.85 118.68 117.72 3fic s LEU 102 Ca 0.17 -1.30 -0.18 0.00 0.69 0.00 0.00 54.13 53.51 3fic s LEU 102 Cb 0.12 -0.94 0.19 0.00 -0.43 0.00 0.00 46.19 45.13 3fic s LEU 102 CO 0.07 -0.33 1.24 -0.89 -0.29 0.00 0.00 176.35 176.15 3fic s THR 103 N 1.56 -0.11 0.29 3.68 2.01 -1.26 -4.92 115.64 116.90 3fic s THR 103 Ca 0.02 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.02 3fic s THR 103 Cb -0.18 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.34 3fic s THR 103 CO -0.13 0.00 0.76 -1.14 -0.69 0.00 0.00 174.62 173.42 3fic n ARG 104 N 4.41 0.02 -3.24 4.92 0.63 -1.26 -4.80 116.66 117.34 3fic n ARG 104 Ca -0.08 0.45 -0.15 0.00 -0.92 0.00 0.00 57.85 57.14 3fic n ARG 104 Cb 0.55 -2.26 0.02 0.00 0.45 0.00 0.00 32.46 31.22 3fic n ARG 104 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3fic n ASP 105 N -1.72 -6.39 0.19 6.15 10.43 -1.26 -4.18 116.55 119.77 3fic n ASP 105 Ca -0.00 0.29 0.14 0.00 2.57 0.00 0.00 54.79 57.80 3fic n ASP 105 Cb 0.71 -2.21 0.59 0.00 1.84 0.00 0.00 41.12 42.06 3fic n ASP 105 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3fic h ALA 106 N 2.87 1.00 -0.83 2.24 0.00 -2.02 -3.43 119.26 119.10 3fic h ALA 106 Ca -0.22 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 53.97 3fic h ALA 106 Cb 1.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3fic h ALA 106 CO 0.11 0.00 1.25 0.54 0.00 0.00 0.00 179.25 181.15 3fic n ARG 107 N -2.59 0.70 -3.71 0.00 1.74 -1.26 -4.92 116.66 106.62 3fic n ARG 107 Ca 0.01 0.21 -0.10 0.00 -0.77 0.00 0.00 57.85 57.20 3fic n ARG 107 Cb 0.25 -2.04 -0.05 0.00 -1.02 0.00 0.00 32.46 29.59 3fic n ARG 107 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3fic s VAL 108 N 5.97 0.09 0.38 1.55 -7.23 -1.26 -4.78 120.40 115.11 3fic s VAL 108 Ca 1.11 -0.78 -0.27 0.00 -1.81 0.00 0.00 61.98 60.22 3fic s VAL 108 Cb -1.13 -1.27 -0.11 0.00 0.56 0.00 0.00 36.38 34.43 3fic s VAL 108 CO 0.59 -0.39 1.30 0.52 -0.31 0.00 0.00 175.10 176.81 3fic n VAL 109 N -0.19 2.25 -4.26 1.32 0.31 -1.26 -5.00 118.33 111.49 3fic n VAL 109 Ca -0.15 -0.50 -0.31 0.00 -0.01 0.00 0.00 64.34 63.37 3fic n VAL 109 Cb 0.63 -1.60 -0.09 0.00 -0.91 0.00 0.00 33.84 31.87 3fic n VAL 109 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3fic s GLU 110 N -2.05 2.38 0.27 5.55 -1.05 -1.26 -5.08 118.70 117.46 3fic s GLU 110 Ca 0.58 -0.88 -0.28 0.00 -0.15 0.00 0.00 54.97 54.24 3fic s GLU 110 Cb -0.53 -2.43 -0.15 0.00 -0.44 0.00 0.00 34.13 30.57 3fic s GLU 110 CO 0.60 0.54 0.81 -2.13 0.95 0.00 0.00 175.26 176.04 3fic n ARG 111 N 0.90 0.84 -2.74 -4.83 0.63 -1.26 -4.87 116.66 105.34 3fic n ARG 111 Ca -0.13 0.29 -0.43 0.00 -0.92 0.00 0.00 57.85 56.67 3fic n ARG 111 Cb 0.52 -1.53 -0.03 0.00 0.45 0.00 0.00 32.46 31.86 3fic n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3fic s LYS 112 N -1.37 3.47 0.34 -0.14 2.36 -1.26 -4.64 119.74 118.51 3fic s LYS 112 Ca 0.61 0.07 -0.28 0.00 -2.55 0.00 0.00 55.97 53.83 3fic s LYS 112 Cb -0.77 -3.99 -0.09 0.00 -1.05 0.00 0.00 37.83 31.92 3fic s LYS 112 CO 0.59 -1.46 1.19 0.15 1.55 0.00 0.00 175.35 177.37 3fic s LYS 113 N 4.22 4.32 0.23 4.03 3.01 -1.26 -4.81 119.74 129.48 3fic s LYS 113 Ca 0.37 1.95 -0.31 0.00 -1.01 0.00 0.00 55.97 56.97 3fic s LYS 113 Cb -0.10 -2.95 -0.11 0.00 -1.01 0.00 0.00 37.83 33.66 3fic s LYS 113 CO 0.24 -0.13 1.61 1.52 0.51 0.00 0.00 175.35 179.11 3fic s TYR 114 N -1.26 2.91 0.00 3.18 -0.00 -1.26 -2.93 117.35 118.00 3fic s TYR 114 Ca 0.51 0.62 0.00 0.00 -0.00 0.00 0.00 57.07 58.20 3fic s TYR 114 Cb -0.34 -4.03 0.00 0.00 -0.00 0.00 0.00 41.96 37.59 3fic s TYR 114 CO 0.44 -3.69 0.00 0.41 -0.00 0.00 0.00 175.55 172.71 3fic n GLY 115 N 3.18 0.87 2.74 5.49 0.00 -1.26 -5.04 105.19 111.17 3fic n GLY 115 Ca 0.12 -0.51 -0.04 0.00 0.00 0.00 0.00 46.02 45.60 3fic n GLY 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fic n LYS 116 N -0.47 0.42 0.00 1.61 4.76 -1.15 -4.63 118.16 118.70 3fic n LYS 116 Ca 0.00 -1.69 0.00 0.00 -2.87 0.00 0.00 58.31 53.75 3fic n LYS 116 Cb 0.39 -1.03 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 3fic n LYS 116 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3fic n HIS 117 N 2.81 0.00 -3.16 2.13 8.25 -0.46 -0.74 115.22 124.05 3fic n HIS 117 Ca 0.16 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.43 3fic n HIS 117 Cb 0.59 -0.37 -0.04 0.00 1.12 0.00 0.00 29.99 31.29 3fic n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3fic n LYS 118 N -2.31 0.89 -0.43 -0.41 5.02 -1.21 -4.96 118.16 114.74 3fic n LYS 118 Ca 0.00 -3.23 0.00 0.00 -2.02 0.00 0.00 58.31 53.06 3fic n LYS 118 Cb 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 3fic n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fic n ALA 119 N 0.67 0.00 0.00 7.82 0.00 0.08 -3.46 120.51 125.63 3fic n ALA 119 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3fic n ALA 119 Cb 0.62 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.23 3fic n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fic n ARG 120 N -1.38 0.00 -1.60 0.00 1.74 -1.25 -4.52 116.66 109.65 3fic n ARG 120 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 3fic n ARG 120 Cb 0.02 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.42 3fic n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3fic n ARG 121 N -1.50 1.99 -2.86 5.56 0.00 -1.22 -4.91 116.66 113.72 3fic n ARG 121 Ca 0.00 0.56 -0.35 0.00 -0.00 0.00 0.00 57.85 58.07 3fic n ARG 121 Cb 0.00 -3.17 -0.07 0.00 0.00 0.00 0.00 32.46 29.22 3fic n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3fic s ALA 122 N 7.93 3.17 1.18 5.13 0.00 -1.26 -1.36 121.76 136.55 3fic s ALA 122 Ca 1.00 0.39 -0.17 0.00 0.00 0.00 0.00 51.96 53.18 3fic s ALA 122 Cb -0.38 -3.10 0.25 0.00 0.00 0.00 0.00 23.12 19.90 3fic s ALA 122 CO 0.37 0.19 0.54 -0.35 0.00 0.00 0.00 175.76 176.50 3fic n PRO 123 N -0.03 -3.17 0.00 0.00 -0.04 -1.26 -4.85 135.00 125.65 3fic n PRO 123 Ca 0.04 -0.94 0.00 0.00 -0.04 0.00 0.00 63.50 62.56 3fic n PRO 123 Cb 0.52 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 3fic n PRO 123 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3fic n GLN 124 N -3.34 2.86 -3.55 0.54 1.13 -1.26 -5.08 117.38 108.67 3fic n GLN 124 Ca 0.08 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.15 3fic n GLN 124 Cb 0.46 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.75 3fic n GLN 124 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3fic s TYR 125 N 0.00 -0.26 -0.08 1.08 6.04 -1.26 -5.09 117.35 117.78 3fic s TYR 125 Ca 0.00 0.50 -0.08 0.00 0.04 0.00 0.00 57.07 57.53 3fic s TYR 125 Cb 0.00 0.16 -0.03 0.00 -1.04 0.00 0.00 41.96 41.05 3fic s TYR 125 CO 0.00 -0.13 -0.16 0.43 -1.54 0.00 0.00 175.55 174.15 3fic n SER 126 N 3.65 0.92 0.00 4.32 7.64 -1.26 -4.96 113.62 123.93 3fic n SER 126 Ca -0.15 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3fic n SER 126 Cb 0.56 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 3fic n SER 126 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3fic n LYS 127 N -3.43 0.00 0.00 1.43 4.81 -1.26 -5.38 118.16 114.34 3fic n LYS 127 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 3fic n LYS 127 Cb 0.24 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.29 3fic n LYS 127 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46