#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fip h LEU 27 N 0.00 0.97 -1.62 2.45 5.85 -2.06 -0.88 115.31 120.01 1fip h LEU 27 Ca 0.00 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.86 1fip h LEU 27 Cb 0.00 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1fip h LEU 27 CO 0.00 0.60 0.45 -0.09 -0.34 0.00 0.00 178.44 179.06 1fip h ARG 28 N 1.08 0.38 0.00 1.25 2.43 -2.06 0.68 114.38 118.15 1fip h ARG 28 Ca 0.43 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.48 1fip h ARG 28 Cb 0.25 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1fip h ARG 28 CO -0.18 0.25 -0.45 -0.44 -1.51 0.00 0.00 179.97 177.64 1fip h ASP 29 N 0.40 0.00 0.18 -3.80 3.32 -1.60 -2.34 116.42 112.57 1fip h ASP 29 Ca 0.32 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.15 1fip h ASP 29 Cb 0.71 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.27 1fip h ASP 29 CO -0.09 0.45 -0.89 0.28 -1.72 0.00 0.00 179.24 177.27 1fip h SER 30 N 0.00 0.66 1.34 6.45 0.02 -0.80 -2.10 113.55 119.12 1fip h SER 30 Ca -0.00 -0.50 -0.09 0.00 -0.84 0.00 0.00 61.79 60.36 1fip h SER 30 Cb 1.27 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 1fip h SER 30 CO 0.06 1.28 -0.41 -0.37 -1.14 0.00 0.00 176.83 176.25 1fip h VAL 31 N 0.32 0.76 -0.78 2.27 -1.51 -0.88 -2.27 116.25 114.17 1fip h VAL 31 Ca -0.08 -1.87 -0.04 0.00 -1.23 0.00 0.00 66.70 63.48 1fip h VAL 31 Cb 1.52 2.22 -0.03 0.00 -2.13 0.00 0.00 31.29 32.87 1fip h VAL 31 CO 0.16 0.40 0.31 0.11 -1.23 0.00 0.00 177.57 177.33 1fip h LYS 32 N 0.00 1.17 -0.37 5.19 1.57 -1.34 -1.16 116.57 121.63 1fip h LYS 32 Ca -0.00 -0.21 -0.14 0.00 -1.87 0.00 0.00 60.65 58.43 1fip h LYS 32 Cb 1.19 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1fip h LYS 32 CO 0.05 0.95 -0.30 0.37 -0.57 0.00 0.00 179.45 179.95 1fip h GLN 33 N 1.13 0.86 -0.63 3.15 5.75 -1.28 -0.52 115.11 123.57 1fip h GLN 33 Ca 0.26 -0.42 -0.02 0.00 -0.15 0.00 0.00 58.65 58.31 1fip h GLN 33 Cb 0.22 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 1fip h GLN 33 CO -0.02 1.07 0.30 0.00 -2.65 0.00 0.00 178.83 177.53 1fip h ALA 34 N 0.77 1.34 0.03 3.38 0.00 -1.17 -1.73 119.26 121.88 1fip h ALA 34 Ca 0.07 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 1fip h ALA 34 Cb 0.87 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1fip h ALA 34 CO 0.08 0.51 -1.02 -0.07 0.00 0.00 0.00 179.25 178.75 1fip h LEU 35 N 0.89 0.53 -0.23 0.00 3.38 -1.05 -2.29 115.31 116.53 1fip h LEU 35 Ca 0.22 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.79 1fip h LEU 35 Cb 0.10 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1fip h LEU 35 CO -0.03 1.27 -0.08 0.11 0.09 0.00 0.00 178.44 179.80 1fip h LYS 36 N 0.20 -0.03 -0.06 1.13 1.57 -0.77 -0.71 116.57 117.90 1fip h LYS 36 Ca -0.10 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1fip h LYS 36 Cb 1.67 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.98 1fip h LYS 36 CO 0.18 -0.02 -0.31 -0.91 -0.57 0.00 0.00 179.45 177.82 1fip h ASN 37 N -0.03 0.11 -0.16 0.86 -0.26 -1.35 -1.84 115.58 112.91 1fip h ASN 37 Ca 0.12 -0.03 -0.08 0.00 -0.56 0.00 0.00 56.30 55.74 1fip h ASN 37 Cb 0.21 -0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 37.44 1fip h ASN 37 CO -0.26 0.42 -0.21 0.22 -1.06 0.00 0.00 177.43 176.54 1fip h TYR 38 N 0.10 0.53 0.00 1.19 3.20 -0.85 -3.02 116.97 118.12 1fip h TYR 38 Ca 0.01 -0.17 -0.03 0.00 3.14 0.00 0.00 58.73 61.69 1fip h TYR 38 Cb 0.60 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 1fip h TYR 38 CO 0.00 0.84 -0.12 0.74 -1.64 0.00 0.00 178.16 177.98 1fip h PHE 39 N 0.07 0.00 0.00 -3.82 0.04 -0.95 -1.14 116.94 111.13 1fip h PHE 39 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1fip h PHE 39 Cb 0.77 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.92 1fip h PHE 39 CO 0.09 0.12 0.00 0.00 -0.60 0.00 0.00 178.31 177.92 1fip n ALA 40 N -2.50 1.37 0.80 2.45 0.00 -0.71 -2.69 120.51 119.24 1fip n ALA 40 Ca -0.03 0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.62 1fip n ALA 40 Cb 0.20 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.21 1fip n ALA 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1fip n GLN 41 N -2.11 0.32 -2.44 0.00 1.13 -0.43 -4.91 117.38 108.93 1fip n GLN 41 Ca 0.01 -0.03 -0.43 0.00 -1.94 0.00 0.00 57.00 54.61 1fip n GLN 41 Cb 0.13 -1.47 -0.02 0.00 0.11 0.00 0.00 30.24 28.99 1fip n GLN 41 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1fip s LEU 42 N -3.22 4.19 -0.54 1.08 1.02 -1.09 -4.97 118.68 115.15 1fip s LEU 42 Ca 0.05 1.69 0.04 0.00 0.02 0.00 0.00 54.13 55.93 1fip s LEU 42 Cb 0.15 -3.54 0.15 0.00 0.02 0.00 0.00 46.19 42.97 1fip s LEU 42 CO 0.85 -0.74 0.33 0.20 0.02 0.00 0.00 176.35 177.01 1fip s ASN 43 N 1.88 3.93 0.00 2.29 0.02 -1.26 -4.74 114.94 117.05 1fip s ASN 43 Ca 0.54 -3.15 0.00 0.00 -1.02 0.00 0.00 52.86 49.24 1fip s ASN 43 Cb -0.22 -1.30 0.00 0.00 0.02 0.00 0.00 41.25 39.75 1fip s ASN 43 CO 0.15 -0.19 0.00 0.61 0.02 0.00 0.00 177.10 177.69 1fip n GLY 44 N 2.88 0.36 3.63 0.66 0.00 -1.26 -4.92 105.19 106.54 1fip n GLY 44 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1fip n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fip s GLN 45 N -0.71 3.94 0.68 1.61 -0.21 -1.26 -5.02 119.66 118.70 1fip s GLN 45 Ca 0.00 1.23 -0.16 0.00 0.02 0.00 0.00 55.36 56.45 1fip s GLN 45 Cb 0.00 -3.86 0.01 0.00 1.00 0.00 0.00 33.01 30.17 1fip s GLN 45 CO 0.00 -1.08 1.18 -0.51 -2.12 0.00 0.00 175.29 172.76 1fip s ASP 46 N 2.61 4.64 -0.05 5.90 1.01 -1.26 -4.90 116.67 124.61 1fip s ASP 46 Ca 0.55 2.27 -0.01 0.00 0.71 0.00 0.00 52.55 56.07 1fip s ASP 46 Cb -0.16 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.22 1fip s ASP 46 CO 0.22 -1.96 0.00 -0.69 0.21 0.00 0.00 175.17 172.95 1fip s VAL 47 N -2.00 0.27 -0.04 -1.27 1.01 -1.26 -5.04 120.40 112.08 1fip s VAL 47 Ca 0.73 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.90 1fip s VAL 47 Cb -0.27 -0.42 0.08 0.00 0.00 0.00 0.00 36.38 35.77 1fip s VAL 47 CO 0.42 0.22 1.04 -0.46 0.00 0.00 0.00 175.10 176.32 1fip n ASN 48 N 4.81 0.65 -0.62 3.32 6.94 -1.26 -4.80 115.26 124.30 1fip n ASN 48 Ca -0.13 -2.30 0.03 0.00 -0.02 0.00 0.00 54.58 52.16 1fip n ASN 48 Cb 0.50 -0.26 0.03 0.00 -2.36 0.00 0.00 39.78 37.69 1fip n ASN 48 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1fip n ASP 49 N -0.39 0.61 0.02 0.53 5.75 -1.26 -4.96 116.55 116.85 1fip n ASP 49 Ca 0.04 -2.25 0.07 0.00 -0.01 0.00 0.00 54.79 52.64 1fip n ASP 49 Cb 0.69 -0.27 0.48 0.00 -1.03 0.00 0.00 41.12 40.99 1fip n ASP 49 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1fip h LEU 50 N 0.22 0.37 0.65 -2.12 5.85 -1.99 -1.80 115.31 116.49 1fip h LEU 50 Ca -0.04 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1fip h LEU 50 Cb 1.41 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 42.36 1fip h LEU 50 CO 0.02 0.25 -0.31 0.22 -0.34 0.00 0.00 178.44 178.28 1fip h TYR 51 N 0.42 -0.80 -0.68 1.25 3.20 -2.00 -1.96 116.97 116.40 1fip h TYR 51 Ca 0.16 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1fip h TYR 51 Cb 0.13 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 1fip h TYR 51 CO -0.00 -0.48 0.33 0.93 -1.64 0.00 0.00 178.16 177.30 1fip h GLU 52 N -0.93 0.96 -0.80 1.82 4.39 -1.94 0.14 114.58 118.21 1fip h GLU 52 Ca -0.09 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 1fip h GLU 52 Cb 0.69 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 1fip h GLU 52 CO 0.15 0.74 0.41 1.25 -1.16 0.00 0.00 179.01 180.39 1fip h LEU 53 N 0.96 1.03 0.22 1.33 5.85 -1.30 0.13 115.31 123.54 1fip h LEU 53 Ca 0.24 -0.11 -0.33 0.00 0.84 0.00 0.00 57.88 58.52 1fip h LEU 53 Cb 0.10 -0.26 0.04 0.00 0.37 0.00 0.00 40.66 40.90 1fip h LEU 53 CO -0.03 0.85 -1.43 0.58 -0.34 0.00 0.00 178.44 178.07 1fip h VAL 54 N 1.14 1.30 -0.78 1.05 2.07 -0.83 -3.20 116.25 116.99 1fip h VAL 54 Ca 0.28 -2.68 -0.01 0.00 0.82 0.00 0.00 66.70 65.11 1fip h VAL 54 Cb 0.08 2.98 -0.04 0.00 -1.52 0.00 0.00 31.29 32.79 1fip h VAL 54 CO -0.04 0.80 0.45 0.25 0.02 0.00 0.00 177.57 179.06 1fip h LEU 55 N 0.17 0.96 -1.12 2.57 5.85 -0.83 -1.90 115.31 121.01 1fip h LEU 55 Ca -0.24 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.35 1fip h LEU 55 Cb 2.12 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.88 1fip h LEU 55 CO 0.27 0.76 0.05 0.00 -0.34 0.00 0.00 178.44 179.18 1fip h ALA 56 N 1.24 1.28 -0.32 1.25 0.00 -0.79 0.13 119.26 122.05 1fip h ALA 56 Ca 0.28 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1fip h ALA 56 Cb -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1fip h ALA 56 CO -0.05 0.49 -0.35 1.49 0.00 0.00 0.00 179.25 180.83 1fip h GLU 57 N 0.64 0.80 0.04 0.00 4.57 -1.42 -2.54 114.58 116.67 1fip h GLU 57 Ca 0.14 -0.43 -0.07 0.00 -1.18 0.00 0.00 59.36 57.81 1fip h GLU 57 Cb 0.33 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1fip h GLU 57 CO 0.01 1.07 -0.30 0.28 -1.18 0.00 0.00 179.01 178.89 1fip h VAL 58 N 0.57 1.63 -0.71 0.32 2.07 -1.16 -3.08 116.25 115.90 1fip h VAL 58 Ca 0.05 -2.24 0.01 0.00 0.82 0.00 0.00 66.70 65.33 1fip h VAL 58 Cb 0.93 3.11 -0.04 0.00 -1.52 0.00 0.00 31.29 33.78 1fip h VAL 58 CO 0.09 0.61 0.47 -0.33 0.02 0.00 0.00 177.57 178.42 1fip h GLU 59 N -0.66 0.93 -0.86 1.57 5.08 -0.84 -1.25 114.58 118.55 1fip h GLU 59 Ca -0.05 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1fip h GLU 59 Cb 1.16 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 1fip h GLU 59 CO 0.06 0.61 0.57 1.96 -1.00 0.00 0.00 179.01 181.21 1fip h GLN 60 N 0.96 1.12 -0.63 2.33 4.20 -1.56 -1.18 115.11 120.36 1fip h GLN 60 Ca 0.26 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.82 1fip h GLN 60 Cb -0.10 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.40 1fip h GLN 60 CO -0.06 0.74 0.06 0.00 -0.67 0.00 0.00 178.83 178.91 1fip h ALA 61 N 1.32 0.84 0.06 3.87 0.00 -1.38 -1.41 119.26 122.56 1fip h ALA 61 Ca 0.32 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1fip h ALA 61 Cb -0.12 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1fip h ALA 61 CO -0.07 0.63 -0.03 1.25 0.00 0.00 0.00 179.25 181.03 1fip h LEU 62 N 0.97 -0.07 -0.88 0.00 5.85 -0.97 -1.17 115.31 119.05 1fip h LEU 62 Ca 0.19 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.61 1fip h LEU 62 Cb 0.48 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1fip h LEU 62 CO 0.02 0.31 0.56 -0.07 -0.34 0.00 0.00 178.44 178.92 1fip h LEU 63 N -0.46 0.91 0.19 2.25 3.38 -1.22 -0.55 115.31 119.80 1fip h LEU 63 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1fip h LEU 63 Cb 0.41 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1fip h LEU 63 CO 0.01 0.61 -0.09 -0.78 0.09 0.00 0.00 178.44 178.28 1fip h ASP 64 N 1.06 -0.21 -0.73 -0.43 3.58 -1.17 -1.08 116.42 117.43 1fip h ASP 64 Ca 0.36 -0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.74 1fip h ASP 64 Cb 0.07 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 1fip h ASP 64 CO -0.14 -0.12 0.28 0.24 -2.88 0.00 0.00 179.24 176.62 1fip h MET 65 N -0.28 1.12 -0.21 0.28 2.86 -0.83 -1.76 114.93 116.11 1fip h MET 65 Ca -0.03 -0.21 -0.21 0.00 -2.06 0.00 0.00 59.70 57.20 1fip h MET 65 Cb 0.22 -0.18 0.01 0.00 0.06 0.00 0.00 31.60 31.71 1fip h MET 65 CO 0.04 0.92 -0.68 0.28 1.06 0.00 0.00 176.91 178.53 1fip h VAL 66 N 1.09 1.28 -0.53 -2.22 2.07 -0.91 -2.05 116.25 114.97 1fip h VAL 66 Ca 0.25 -1.87 -0.05 0.00 0.82 0.00 0.00 66.70 65.85 1fip h VAL 66 Cb 0.23 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1fip h VAL 66 CO -0.02 0.60 0.13 0.24 0.02 0.00 0.00 177.57 178.54 1fip h MET 67 N 0.59 0.81 -0.56 1.57 2.07 -1.07 -0.44 114.93 117.90 1fip h MET 67 Ca -0.02 -0.16 -0.11 0.00 -2.07 0.00 0.00 59.70 57.34 1fip h MET 67 Cb 1.30 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 30.88 1fip h MET 67 CO 0.14 0.73 -0.07 0.37 1.07 0.00 0.00 176.91 179.16 1fip h GLN 68 N 0.79 1.04 -0.37 1.72 4.15 -1.22 0.20 115.11 121.42 1fip h GLN 68 Ca 0.17 -0.37 -0.11 0.00 0.77 0.00 0.00 58.65 59.12 1fip h GLN 68 Cb 0.29 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1fip h GLN 68 CO -0.00 1.06 -0.22 -0.92 -1.93 0.00 0.00 178.83 176.82 1fip h TYR 69 N 0.92 0.82 -0.01 3.99 3.20 -0.58 -2.56 116.97 122.76 1fip h TYR 69 Ca 0.15 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1fip h TYR 69 Cb 0.64 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.71 1fip h TYR 69 CO 0.04 0.88 -0.15 2.41 -1.64 0.00 0.00 178.16 179.70 1fip n THR 70 N -4.12 0.00 -3.97 1.81 -1.04 -0.26 -4.93 114.28 101.77 1fip n THR 70 Ca 0.00 -0.13 -0.31 0.00 -2.04 0.00 0.00 64.05 61.56 1fip n THR 70 Cb 0.42 0.27 0.02 0.00 -1.82 0.00 0.00 70.33 69.22 1fip n THR 70 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1fip n ARG 71 N -0.55 -5.07 -0.98 -2.82 1.74 -0.26 -2.25 116.66 106.47 1fip n ARG 71 Ca 0.15 0.55 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 1fip n ARG 71 Cb 0.32 -5.42 0.00 0.00 -1.02 0.00 0.00 32.46 26.34 1fip n ARG 71 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fip n GLY 72 N -1.63 0.68 3.63 -0.13 0.00 0.54 -5.00 105.19 103.29 1fip n GLY 72 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1fip n GLY 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1fip s ASN 73 N -2.36 6.50 0.10 1.61 3.84 -0.95 -4.91 114.94 118.77 1fip s ASN 73 Ca 0.00 1.54 -0.11 0.00 0.21 0.00 0.00 52.86 54.50 1fip s ASN 73 Cb 0.00 -2.53 -0.15 0.00 -0.55 0.00 0.00 41.25 38.01 1fip s ASN 73 CO 0.00 -1.17 1.27 1.56 -2.79 0.00 0.00 177.10 175.97 1fip h GLN 74 N 10.16 0.66 -0.40 0.43 4.20 -1.94 -2.64 115.11 125.59 1fip h GLN 74 Ca -0.31 -0.63 0.02 0.00 0.06 0.00 0.00 58.65 57.78 1fip h GLN 74 Cb 1.14 0.16 -0.03 0.00 0.30 0.00 0.00 27.48 29.05 1fip h GLN 74 CO 1.01 1.23 0.23 1.15 -0.67 0.00 0.00 178.83 181.78 1fip h THR 75 N 0.41 1.03 -0.43 -0.54 2.02 -1.96 -0.60 112.91 112.84 1fip h THR 75 Ca -0.09 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 1fip h THR 75 Cb 1.54 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1fip h THR 75 CO 0.18 0.08 0.25 0.03 0.37 0.00 0.00 175.52 176.43 1fip h ARG 76 N 0.46 0.59 -0.19 6.66 2.47 -1.96 -1.81 114.38 120.60 1fip h ARG 76 Ca 0.16 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 1fip h ARG 76 Cb 0.02 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.21 1fip h ARG 76 CO -0.08 0.45 0.09 0.00 0.56 0.00 0.00 179.97 181.00 1fip h ALA 77 N 1.10 0.24 -0.44 0.04 0.00 -1.28 -1.41 119.26 117.52 1fip h ALA 77 Ca 0.15 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1fip h ALA 77 Cb 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1fip h ALA 77 CO -0.03 -0.20 0.06 0.00 0.00 0.00 0.00 179.25 179.08 1fip h ALA 78 N 0.96 1.28 -0.42 0.00 0.00 -0.91 -1.26 119.26 118.92 1fip h ALA 78 Ca 0.06 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1fip h ALA 78 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1fip h ALA 78 CO -0.01 0.50 -0.23 -0.07 0.00 0.00 0.00 179.25 179.44 1fip h LEU 79 N 0.66 0.86 -0.75 0.00 4.07 -1.10 0.17 115.31 119.22 1fip h LEU 79 Ca 0.14 -0.32 -0.13 0.00 0.08 0.00 0.00 57.88 57.66 1fip h LEU 79 Cb 0.33 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 1fip h LEU 79 CO 0.01 1.06 -0.44 0.24 -1.08 0.00 0.00 178.44 178.22 1fip h MET 80 N 0.73 0.42 0.00 1.13 2.86 -0.78 -3.13 114.93 116.16 1fip h MET 80 Ca 0.10 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1fip h MET 80 Cb 0.76 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.42 1fip h MET 80 CO 0.06 0.78 -0.51 0.52 1.06 0.00 0.00 176.91 178.82 1fip h MET 81 N 0.34 0.00 0.00 1.72 2.86 -0.81 -3.48 114.93 115.57 1fip h MET 81 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1fip h MET 81 Cb 0.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.57 1fip h MET 81 CO 0.08 0.05 0.00 0.41 1.06 0.00 0.00 176.91 178.50 1fip n GLY 82 N 1.16 0.58 3.66 8.32 0.00 0.01 -5.05 105.19 113.86 1fip n GLY 82 Ca 0.02 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 1fip n GLY 82 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1fip s ILE 83 N -2.00 2.57 0.36 -0.61 -4.36 -0.94 -5.03 121.20 111.19 1fip s ILE 83 Ca 0.00 -1.90 -0.27 0.00 -0.26 0.00 0.00 60.65 58.22 1fip s ILE 83 Cb 0.00 -2.86 -0.09 0.00 1.25 0.00 0.00 42.46 40.76 1fip s ILE 83 CO 0.00 -0.15 1.18 0.21 0.24 0.00 0.00 174.94 176.42 1fip s ASN 84 N -3.76 6.72 0.45 4.36 3.84 -1.26 -4.43 114.94 120.86 1fip s ASN 84 Ca 0.36 2.39 0.15 0.00 0.21 0.00 0.00 52.86 55.96 1fip s ASN 84 Cb 0.01 -2.62 1.03 0.00 -0.55 0.00 0.00 41.25 39.12 1fip s ASN 84 CO 0.20 -0.54 2.01 -0.09 -2.79 0.00 0.00 177.10 175.89 1fip h ARG 85 N 3.00 0.00 -0.72 0.43 2.43 -1.91 0.10 114.38 117.70 1fip h ARG 85 Ca -0.48 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.62 1fip h ARG 85 Cb 1.23 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 1fip h ARG 85 CO 0.64 0.16 0.19 0.78 -1.51 0.00 0.00 179.97 180.24 1fip h GLY 86 N 0.49 1.23 0.83 2.80 0.00 -1.98 -1.70 103.07 104.75 1fip h GLY 86 Ca -0.00 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.51 1fip h GLY 86 CO 0.02 0.71 -0.10 -0.84 0.00 0.00 0.00 176.54 176.33 1fip h THR 87 N 1.09 1.30 -0.47 4.70 2.02 -1.23 -1.65 112.91 118.68 1fip h THR 87 Ca 0.23 -1.16 0.09 0.00 0.77 0.00 0.00 66.41 66.34 1fip h THR 87 Cb 0.35 1.59 -0.09 0.00 -1.74 0.00 0.00 68.15 68.27 1fip h THR 87 CO -0.00 0.36 -0.08 0.25 0.37 0.00 0.00 175.52 176.41 1fip h LEU 88 N 0.17 -0.36 -0.88 2.58 5.85 -1.06 -1.39 115.31 120.22 1fip h LEU 88 Ca 0.05 0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 1fip h LEU 88 Cb 0.59 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1fip h LEU 88 CO 0.03 -0.13 -0.25 0.03 -0.34 0.00 0.00 178.44 177.78 1fip h ARG 89 N 0.03 0.54 -0.45 1.25 3.08 -1.13 -0.79 114.38 116.90 1fip h ARG 89 Ca 0.23 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1fip h ARG 89 Cb 0.35 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1fip h ARG 89 CO -0.45 0.75 0.29 0.87 -1.07 0.00 0.00 179.97 180.36 1fip h LYS 90 N 0.47 0.60 -0.37 0.04 1.57 -0.82 -1.72 116.57 116.35 1fip h LYS 90 Ca 0.07 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 1fip h LYS 90 Cb 0.69 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1fip h LYS 90 CO 0.05 0.41 -0.16 0.87 -0.57 0.00 0.00 179.45 180.05 1fip h LYS 91 N 0.61 0.68 -0.41 3.15 1.57 -0.96 0.45 116.57 121.65 1fip h LYS 91 Ca 0.16 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1fip h LYS 91 Cb -0.05 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1fip h LYS 91 CO -0.03 0.81 0.23 -0.07 -0.57 0.00 0.00 179.45 179.82 1fip h LEU 92 N 0.61 0.51 -0.27 2.94 4.07 -0.86 -2.68 115.31 119.63 1fip h LEU 92 Ca 0.10 -0.08 -0.20 0.00 0.08 0.00 0.00 57.88 57.78 1fip h LEU 92 Cb 0.62 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.24 1fip h LEU 92 CO 0.04 0.44 -0.62 0.50 -1.08 0.00 0.00 178.44 177.72 1fip h LYS 93 N 0.54 0.84 -1.00 1.13 3.64 -1.00 0.40 116.57 121.11 1fip h LYS 93 Ca 0.15 -0.58 0.22 0.00 -1.27 0.00 0.00 60.65 59.17 1fip h LYS 93 Cb 0.04 0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 31.85 1fip h LYS 93 CO -0.02 1.20 0.62 -0.22 -2.27 0.00 0.00 179.45 178.76 1fip h LYS 94 N 0.62 0.55 -0.68 1.90 3.64 -0.62 0.18 116.57 122.16 1fip h LYS 94 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1fip h LYS 94 Cb 1.23 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1fip h LYS 94 CO 0.13 0.36 0.00 0.66 -2.27 0.00 0.00 179.45 178.34 1fip n TYR 95 N -4.69 0.90 -3.67 1.91 4.01 -1.04 -4.97 117.16 109.62 1fip n TYR 95 Ca 0.24 -0.45 -0.24 0.00 -0.16 0.00 0.00 57.90 57.28 1fip n TYR 95 Cb 0.71 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.80 1fip n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fip n GLY 96 N 1.61 -0.49 0.64 2.72 0.00 0.05 -4.91 105.19 104.81 1fip n GLY 96 Ca 0.23 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.53 1fip n GLY 96 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fip n MET 97 N -4.74 1.76 0.00 1.61 2.81 0.14 -4.99 117.12 113.71 1fip n MET 97 Ca -0.05 -1.69 0.00 0.00 -1.81 0.00 0.00 57.70 54.15 1fip n MET 97 Cb 0.58 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.80 1fip n MET 97 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75