#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 0.44 -2.74 2.45 5.85 -2.06 -1.50 115.31 117.76 1fip h LEU 27 Ca 0.00 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1fip h LEU 27 Cb 0.00 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 1fip h LEU 27 CO 0.00 0.28 -0.00 0.08 -0.34 0.00 0.00 178.44 178.46 1fip h ARG 28 N 0.59 0.00 -0.15 1.25 0.11 -2.05 0.27 114.38 114.39 1fip h ARG 28 Ca 0.30 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.22 1fip h ARG 28 Cb 0.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 1fip h ARG 28 CO -0.22 0.00 -0.56 -0.44 0.10 0.00 0.00 179.97 178.85 1fip h ASP 29 N 0.00 0.53 0.26 0.08 3.32 -1.70 -0.27 116.42 118.63 1fip h ASP 29 Ca -0.00 -0.29 -0.11 0.00 0.02 0.00 0.00 57.03 56.66 1fip h ASP 29 Cb 0.01 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1fip h ASP 29 CO 0.00 0.98 -0.42 0.28 -1.72 0.00 0.00 179.24 178.36 1fip h SER 30 N 0.36 0.22 -0.33 6.45 0.02 -0.48 0.76 113.55 120.56 1fip h SER 30 Ca 0.00 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.78 1fip h SER 30 Cb 1.09 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 1fip h SER 30 CO 0.10 0.62 -0.13 0.58 -1.14 0.00 0.00 176.83 176.86 1fip h VAL 31 N 0.18 1.29 -0.47 2.27 2.07 -1.13 -1.31 116.25 119.14 1fip h VAL 31 Ca 0.01 -1.22 -0.10 0.00 0.82 0.00 0.00 66.70 66.22 1fip h VAL 31 Cb 0.82 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.97 1fip h VAL 31 CO 0.06 0.39 -0.10 0.11 0.02 0.00 0.00 177.57 178.06 1fip h LYS 32 N 0.43 0.89 -0.73 1.57 1.57 -0.31 -1.62 116.57 118.37 1fip h LYS 32 Ca 0.08 -0.33 -0.06 0.00 -1.87 0.00 0.00 60.65 58.46 1fip h LYS 32 Cb 0.65 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1fip h LYS 32 CO 0.04 0.98 0.22 0.37 -0.57 0.00 0.00 179.45 180.49 1fip h GLN 33 N 0.74 1.15 -0.61 3.15 5.75 -0.82 0.07 115.11 124.54 1fip h GLN 33 Ca 0.12 -0.26 -0.03 0.00 -0.15 0.00 0.00 58.65 58.33 1fip h GLN 33 Cb 0.64 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 1fip h GLN 33 CO 0.04 0.99 0.24 0.00 -2.65 0.00 0.00 178.83 177.45 1fip h ALA 34 N 1.11 1.27 -0.01 3.38 0.00 -1.04 -1.20 119.26 122.77 1fip h ALA 34 Ca 0.23 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 1fip h ALA 34 Cb 0.33 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1fip h ALA 34 CO -0.00 0.54 -0.93 -0.07 0.00 0.00 0.00 179.25 178.78 1fip h LEU 35 N 0.88 0.55 -0.61 0.00 -0.00 -0.66 -2.06 115.31 113.40 1fip h LEU 35 Ca 0.21 -0.43 -0.02 0.00 -0.00 0.00 0.00 57.88 57.64 1fip h LEU 35 Cb 0.18 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 40.64 1fip h LEU 35 CO -0.02 1.23 0.32 0.50 -0.00 0.00 0.00 178.44 180.47 1fip h LYS 36 N 0.25 0.87 -0.28 1.13 3.64 -0.69 0.17 116.57 121.66 1fip h LYS 36 Ca -0.08 -0.12 -0.19 0.00 -1.27 0.00 0.00 60.65 59.00 1fip h LYS 36 Cb 1.56 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1fip h LYS 36 CO 0.16 0.68 -0.55 -0.91 -2.27 0.00 0.00 179.45 176.56 1fip h ASN 37 N 0.84 0.97 -0.07 4.20 -0.26 -1.26 -2.37 115.58 117.62 1fip h ASN 37 Ca 0.21 -0.54 -0.00 0.00 -0.56 0.00 0.00 56.30 55.41 1fip h ASN 37 Cb 0.08 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.06 1fip h ASN 37 CO -0.03 1.33 0.04 0.22 -1.06 0.00 0.00 177.43 177.93 1fip h TYR 38 N 0.64 0.10 -0.03 1.19 3.20 -0.82 -2.72 116.97 118.53 1fip h TYR 38 Ca 0.01 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 1fip h TYR 38 Cb 1.16 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 1fip h TYR 38 CO 0.08 0.11 -0.13 0.74 -1.64 0.00 0.00 178.16 177.32 1fip h PHE 39 N 0.05 0.04 0.00 -3.82 0.04 -0.71 0.37 116.94 112.91 1fip h PHE 39 Ca 0.03 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1fip h PHE 39 Cb 0.05 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.18 1fip h PHE 39 CO -0.06 0.17 -0.11 0.00 -0.60 0.00 0.00 178.31 177.72 1fip h ALA 40 N 1.83 1.42 0.00 2.45 0.00 -1.13 -1.80 119.26 122.03 1fip h ALA 40 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1fip h ALA 40 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1fip h ALA 40 CO 0.02 0.14 -0.03 1.04 0.00 0.00 0.00 179.25 180.42 1fip n GLN 41 N -3.83 0.17 -1.76 0.00 3.00 0.10 -4.52 117.38 110.55 1fip n GLN 41 Ca -0.02 0.14 -0.42 0.00 -0.01 0.00 0.00 57.00 56.69 1fip n GLN 41 Cb 0.21 -1.69 -0.00 0.00 0.00 0.00 0.00 30.24 28.75 1fip n GLN 41 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1fip n LEU 42 N -1.99 7.16 -4.42 1.08 4.32 -0.68 -4.90 117.00 117.57 1fip n LEU 42 Ca 0.06 -4.27 -0.44 0.00 -0.02 0.00 0.00 56.01 51.34 1fip n LEU 42 Cb 0.40 -1.61 -0.00 0.00 -1.62 0.00 0.00 43.42 40.58 1fip n LEU 42 CO 0.30 1.32 1.14 0.20 -1.22 0.00 0.00 177.39 179.12 1fip s ASN 43 N 2.63 7.08 0.00 -1.43 0.01 -1.26 -4.45 114.94 117.52 1fip s ASN 43 Ca 0.50 -3.04 0.00 0.00 -0.71 0.00 0.00 52.86 49.61 1fip s ASN 43 Cb 0.14 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 39.46 1fip s ASN 43 CO -0.07 -0.65 0.00 0.61 -1.51 0.00 0.00 177.10 175.48 1fip n GLY 44 N 3.88 2.83 3.78 0.66 0.00 -1.26 -5.03 105.19 110.05 1fip n GLY 44 Ca 0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.96 1fip n GLY 44 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1fip s GLN 45 N -0.41 4.15 0.33 1.61 0.74 -1.26 -5.06 119.66 119.77 1fip s GLN 45 Ca 0.00 1.49 0.03 0.00 0.05 0.00 0.00 55.36 56.94 1fip s GLN 45 Cb 0.00 -2.52 -0.02 0.00 1.10 0.00 0.00 33.01 31.57 1fip s GLN 45 CO 0.00 -0.15 0.49 -0.51 -0.55 0.00 0.00 175.29 174.57 1fip s ASP 46 N -1.60 6.15 -0.01 6.67 1.11 -1.26 -4.92 116.67 122.81 1fip s ASP 46 Ca 0.58 0.15 0.05 0.00 0.18 0.00 0.00 52.55 53.52 1fip s ASP 46 Cb -0.21 -1.70 -0.01 0.00 1.07 0.00 0.00 42.92 42.06 1fip s ASP 46 CO 0.27 -0.33 -0.17 -0.69 1.18 0.00 0.00 175.17 175.43 1fip s VAL 47 N -2.22 1.37 0.00 -1.27 1.01 -1.26 -5.05 120.40 112.97 1fip s VAL 47 Ca 0.41 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1fip s VAL 47 Cb -0.09 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1fip s VAL 47 CO 0.33 0.38 0.79 -0.46 0.00 0.00 0.00 175.10 176.14 1fip n ASN 48 N 2.64 0.00 -0.96 3.32 6.94 -1.26 -4.88 115.26 121.06 1fip n ASN 48 Ca -0.15 -1.59 -0.00 0.00 -0.02 0.00 0.00 54.58 52.82 1fip n ASN 48 Cb 0.54 -0.12 -0.01 0.00 -2.36 0.00 0.00 39.78 37.83 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 0.00 0.14 -0.21 0.53 5.75 -1.26 -4.96 116.55 116.54 1fip n ASP 49 Ca 0.00 -1.84 0.13 0.00 -0.01 0.00 0.00 54.79 53.08 1fip n ASP 49 Cb 0.62 -0.10 0.44 0.00 -1.03 0.00 0.00 41.12 41.05 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 0.35 0.52 -0.43 -2.12 5.85 -2.00 -1.69 115.31 115.79 1fip h LEU 50 Ca -0.20 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1fip h LEU 50 Cb 1.51 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 1fip h LEU 50 CO -0.03 0.27 0.23 0.22 -0.34 0.00 0.00 178.44 178.80 1fip h TYR 51 N 0.55 0.60 -0.61 1.25 3.20 -2.00 -2.43 116.97 117.53 1fip h TYR 51 Ca 0.40 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.24 1fip h TYR 51 Cb 0.76 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 1fip h TYR 51 CO -0.00 0.46 0.31 1.49 -1.64 0.00 0.00 178.16 178.78 1fip h GLU 52 N 0.56 0.86 -0.83 1.82 4.81 -1.78 -0.95 114.58 119.07 1fip h GLU 52 Ca 0.15 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1fip h GLU 52 Cb 0.06 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 1fip h GLU 52 CO -0.02 0.67 0.53 -0.07 -0.73 0.00 0.00 179.01 179.39 1fip h LEU 53 N 0.82 0.98 0.00 1.64 3.38 -0.91 -1.71 115.31 119.51 1fip h LEU 53 Ca 0.21 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 1fip h LEU 53 Cb 0.08 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.59 1fip h LEU 53 CO -0.03 0.73 -0.43 0.58 0.09 0.00 0.00 178.44 179.37 1fip h VAL 54 N 1.14 1.49 -0.39 1.22 2.07 -1.01 -3.02 116.25 117.75 1fip h VAL 54 Ca 0.30 -2.04 0.05 0.00 0.82 0.00 0.00 66.70 65.83 1fip h VAL 54 Cb -0.09 2.71 -0.05 0.00 -1.52 0.00 0.00 31.29 32.34 1fip h VAL 54 CO -0.06 0.58 0.12 -0.07 0.02 0.00 0.00 177.57 178.15 1fip h LEU 55 N -0.32 0.10 -0.76 2.57 -0.00 -1.18 -0.23 115.31 115.49 1fip h LEU 55 Ca -0.06 0.05 0.04 0.00 -0.00 0.00 0.00 57.88 57.91 1fip h LEU 55 Cb 1.18 0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 41.84 1fip h LEU 55 CO 0.09 0.09 0.48 0.00 -0.00 0.00 0.00 178.44 179.09 1fip h ALA 56 N 1.27 1.01 -0.49 1.53 0.00 -1.38 0.19 119.26 121.39 1fip h ALA 56 Ca 0.18 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1fip h ALA 56 Cb 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1fip h ALA 56 CO -0.21 0.25 -0.03 1.49 0.00 0.00 0.00 179.25 180.76 1fip h GLU 57 N 0.92 0.83 0.12 0.00 4.57 -1.31 -2.45 114.58 117.25 1fip h GLU 57 Ca 0.31 -0.24 -0.22 0.00 -1.18 0.00 0.00 59.36 58.03 1fip h GLU 57 Cb 0.06 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1fip h GLU 57 CO -0.13 0.85 -1.03 0.28 -1.18 0.00 0.00 179.01 177.80 1fip h VAL 58 N 0.77 1.31 -0.36 0.32 2.07 -0.08 -3.13 116.25 117.15 1fip h VAL 58 Ca 0.14 -2.47 -0.02 0.00 0.82 0.00 0.00 66.70 65.18 1fip h VAL 58 Cb 0.51 2.99 -0.02 0.00 -1.52 0.00 0.00 31.29 33.24 1fip h VAL 58 CO 0.03 0.69 0.15 -0.33 0.02 0.00 0.00 177.57 178.13 1fip h GLU 59 N -0.39 0.50 -0.41 1.57 5.08 -0.71 -1.27 114.58 118.96 1fip h GLU 59 Ca -0.21 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 57.99 1fip h GLU 59 Cb 1.65 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 1fip h GLU 59 CO 0.10 0.41 -0.14 1.96 -1.00 0.00 0.00 179.01 180.34 1fip h GLN 60 N 0.50 0.81 -0.15 2.33 4.20 -1.53 -1.61 115.11 119.67 1fip h GLN 60 Ca 0.13 -0.33 -0.15 0.00 0.06 0.00 0.00 58.65 58.36 1fip h GLN 60 Cb 0.09 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1fip h GLN 60 CO -0.01 0.95 -0.53 0.00 -0.67 0.00 0.00 178.83 178.57 1fip h ALA 61 N 0.83 0.81 -0.16 3.87 0.00 -1.35 -2.17 119.26 121.09 1fip h ALA 61 Ca 0.10 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 1fip h ALA 61 Cb 0.68 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1fip h ALA 61 CO 0.05 0.68 -0.08 1.25 0.00 0.00 0.00 179.25 181.15 1fip h LEU 62 N 0.34 0.35 -0.98 0.00 5.85 -1.27 -1.63 115.31 117.96 1fip h LEU 62 Ca 0.01 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.27 1fip h LEU 62 Cb 1.04 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1fip h LEU 62 CO 0.09 0.68 0.14 -0.07 -0.34 0.00 0.00 178.44 178.95 1fip h LEU 63 N 0.01 0.82 0.29 2.25 4.07 -1.30 -0.14 115.31 121.32 1fip h LEU 63 Ca 0.04 -0.15 -0.01 0.00 0.08 0.00 0.00 57.88 57.83 1fip h LEU 63 Cb 0.55 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1fip h LEU 63 CO 0.02 0.80 -0.14 -0.78 -1.08 0.00 0.00 178.44 177.27 1fip h ASP 64 N 0.85 -0.33 -0.65 -0.43 3.58 -1.39 -2.38 116.42 115.68 1fip h ASP 64 Ca 0.19 -0.13 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 1fip h ASP 64 Cb 0.30 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 1fip h ASP 64 CO -0.00 -0.05 0.24 0.24 -2.88 0.00 0.00 179.24 176.79 1fip h MET 65 N -0.62 1.01 -0.40 0.28 2.86 -1.08 -2.33 114.93 114.66 1fip h MET 65 Ca -0.04 -0.19 -0.12 0.00 -2.06 0.00 0.00 59.70 57.30 1fip h MET 65 Cb 0.44 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1fip h MET 65 CO 0.07 0.84 -0.22 0.28 1.06 0.00 0.00 176.91 178.94 1fip h VAL 66 N 0.98 1.28 -0.36 -2.22 2.07 -1.06 -2.13 116.25 114.81 1fip h VAL 66 Ca 0.22 -1.36 -0.07 0.00 0.82 0.00 0.00 66.70 66.31 1fip h VAL 66 Cb 0.23 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1fip h VAL 66 CO -0.01 0.46 -0.06 0.24 0.02 0.00 0.00 177.57 178.21 1fip h MET 67 N 0.66 0.60 -0.35 1.57 2.07 -1.12 -0.72 114.93 117.64 1fip h MET 67 Ca 0.09 -0.16 -0.08 0.00 -2.07 0.00 0.00 59.70 57.48 1fip h MET 67 Cb 0.78 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 30.43 1fip h MET 67 CO 0.06 0.66 -0.09 1.96 1.07 0.00 0.00 176.91 180.57 1fip h GLN 68 N 0.56 0.68 -0.64 1.72 4.20 -1.40 0.26 115.11 120.48 1fip h GLN 68 Ca 0.11 -0.27 -0.09 0.00 0.06 0.00 0.00 58.65 58.47 1fip h GLN 68 Cb 0.44 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1fip h GLN 68 CO 0.02 0.85 0.05 -0.92 -0.67 0.00 0.00 178.83 178.16 1fip h TYR 69 N 0.47 1.18 -0.24 2.96 3.20 -0.76 -1.51 116.97 122.26 1fip h TYR 69 Ca 0.09 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1fip h TYR 69 Cb 0.60 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1fip h TYR 69 CO 0.05 1.01 0.00 0.25 -1.64 0.00 0.00 178.16 177.83 1fip n THR 70 N -4.20 0.35 -3.72 1.81 -2.24 -0.33 -4.93 114.28 101.02 1fip n THR 70 Ca 0.04 -0.33 -0.29 0.00 -2.27 0.00 0.00 64.05 61.20 1fip n THR 70 Cb 0.32 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1fip n THR 70 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1fip n ARG 71 N 0.22 -4.07 -0.68 -0.78 1.74 -0.57 -1.80 116.66 110.72 1fip n ARG 71 Ca 0.08 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 1fip n ARG 71 Cb 0.22 -5.29 0.00 0.00 -1.02 0.00 0.00 32.46 26.37 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 -1.40 0.81 3.59 -0.13 0.00 0.84 -5.00 105.19 103.90 1fip n GLY 72 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.82 6.59 0.33 1.61 3.84 -0.75 -4.90 114.94 118.83 1fip s ASN 73 Ca 0.00 0.35 0.09 0.00 0.21 0.00 0.00 52.86 53.52 1fip s ASN 73 Cb 0.00 -2.53 0.57 0.00 -0.55 0.00 0.00 41.25 38.74 1fip s ASN 73 CO 0.00 -1.25 1.76 1.56 -2.79 0.00 0.00 177.10 176.38 1fip h GLN 74 N 9.25 0.13 -0.24 0.43 4.20 -1.94 -2.46 115.11 124.48 1fip h GLN 74 Ca -0.23 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.25 1fip h GLN 74 Cb 1.06 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1fip h GLN 74 CO 1.12 0.50 -0.50 1.15 -0.67 0.00 0.00 178.83 180.44 1fip h THR 75 N 0.11 1.30 -0.63 -0.54 2.02 -1.97 -1.62 112.91 111.58 1fip h THR 75 Ca 0.01 -1.70 -0.09 0.00 0.77 0.00 0.00 66.41 65.40 1fip h THR 75 Cb 0.74 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 1fip h THR 75 CO 0.06 0.54 0.06 0.03 0.37 0.00 0.00 175.52 176.57 1fip h ARG 76 N 0.49 1.06 -0.33 6.66 2.47 -1.95 -2.26 114.38 120.52 1fip h ARG 76 Ca 0.01 -0.30 -0.03 0.00 -1.26 0.00 0.00 59.98 58.40 1fip h ARG 76 Cb 1.10 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.30 1fip h ARG 76 CO 0.11 1.00 0.10 0.00 0.56 0.00 0.00 179.97 181.74 1fip h ALA 77 N 1.06 0.43 -0.51 0.04 0.00 -1.38 -2.12 119.26 116.79 1fip h ALA 77 Ca 0.19 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1fip h ALA 77 Cb 0.49 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1fip h ALA 77 CO 0.02 0.07 0.15 0.00 0.00 0.00 0.00 179.25 179.49 1fip h ALA 78 N 0.94 1.30 -0.27 0.00 0.00 -1.22 -2.02 119.26 117.99 1fip h ALA 78 Ca 0.11 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1fip h ALA 78 Cb 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1fip h ALA 78 CO -0.00 0.50 -0.40 -0.07 0.00 0.00 0.00 179.25 179.28 1fip h LEU 79 N 0.74 0.68 -1.01 0.00 3.38 -1.30 -0.12 115.31 117.69 1fip h LEU 79 Ca 0.17 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1fip h LEU 79 Cb 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1fip h LEU 79 CO -0.01 1.00 -0.43 -0.03 0.09 0.00 0.00 178.44 179.07 1fip h MET 80 N 0.53 0.14 0.00 1.13 4.05 -1.15 -2.87 114.93 116.76 1fip h MET 80 Ca 0.05 -0.07 -0.05 0.00 -0.28 0.00 0.00 59.70 59.35 1fip h MET 80 Cb 0.92 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.71 1fip h MET 80 CO 0.08 0.55 -0.63 0.52 0.23 0.00 0.00 176.91 177.66 1fip h MET 81 N 0.12 0.00 0.00 0.39 2.86 -1.13 -3.48 114.93 113.70 1fip h MET 81 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1fip h MET 81 Cb 0.81 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1fip h MET 81 CO 0.06 0.16 0.00 0.41 1.06 0.00 0.00 176.91 178.60 1fip n GLY 82 N 1.20 0.53 3.77 8.32 0.00 -0.16 -5.06 105.19 113.79 1fip n GLY 82 Ca 0.00 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 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 2.36 0.48 -0.61 -4.36 -0.60 -5.02 121.20 111.45 1fip s ILE 83 Ca 0.00 -1.62 -0.02 0.00 -0.26 0.00 0.00 60.65 58.75 1fip s ILE 83 Cb 0.00 -2.98 -0.01 0.00 1.25 0.00 0.00 42.46 40.72 1fip s ILE 83 CO 0.00 0.00 0.74 0.54 0.24 0.00 0.00 174.94 176.46 1fip s ASN 84 N -3.96 5.88 0.24 4.36 2.20 -1.26 -4.23 114.94 118.17 1fip s ASN 84 Ca 0.42 0.52 -0.05 0.00 -0.94 0.00 0.00 52.86 52.81 1fip s ASN 84 Cb 0.02 -1.74 0.44 0.00 -2.00 0.00 0.00 41.25 37.98 1fip s ASN 84 CO 0.23 -0.74 1.73 0.03 -2.94 0.00 0.00 177.10 175.41 1fip h ARG 85 N 0.25 0.41 -0.09 3.55 2.47 -1.92 -2.37 114.38 116.68 1fip h ARG 85 Ca -0.46 -0.02 -0.18 0.00 -1.26 0.00 0.00 59.98 58.05 1fip h ARG 85 Cb 1.24 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1fip h ARG 85 CO 0.59 0.27 -0.71 0.78 0.56 0.00 0.00 179.97 181.46 1fip h GLY 86 N 0.42 0.47 0.56 0.04 0.00 -1.98 -1.07 103.07 101.51 1fip h GLY 86 Ca 0.41 -0.66 0.07 0.00 0.00 0.00 0.00 47.33 47.15 1fip h GLY 86 CO -0.41 0.58 0.23 -0.84 0.00 0.00 0.00 176.54 176.11 1fip h THR 87 N 0.30 0.86 -0.72 4.70 2.02 -1.90 -0.21 112.91 117.96 1fip h THR 87 Ca -0.03 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 1fip h THR 87 Cb 1.29 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 1fip h THR 87 CO 0.12 0.08 0.32 0.25 0.37 0.00 0.00 175.52 176.66 1fip h LEU 88 N 0.43 0.94 -0.34 2.58 5.85 -1.15 -2.44 115.31 121.18 1fip h LEU 88 Ca 0.26 -0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 1fip h LEU 88 Cb 0.25 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1fip h LEU 88 CO -0.23 0.81 -0.06 0.03 -0.34 0.00 0.00 178.44 178.65 1fip h ARG 89 N 1.02 0.65 -0.94 1.25 3.08 -0.78 -1.85 114.38 116.80 1fip h ARG 89 Ca 0.25 -0.24 0.11 0.00 0.07 0.00 0.00 59.98 60.17 1fip h ARG 89 Cb 0.14 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.07 1fip h ARG 89 CO -0.03 0.80 0.60 -0.22 -1.07 0.00 0.00 179.97 180.05 1fip h LYS 90 N 0.44 0.87 0.01 0.04 3.64 -0.89 -1.93 116.57 118.76 1fip h LYS 90 Ca 0.09 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.18 1fip h LYS 90 Cb 0.55 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1fip h LYS 90 CO 0.03 0.58 -0.99 0.87 -2.27 0.00 0.00 179.45 177.66 1fip h LYS 91 N 0.90 0.49 -0.60 1.90 1.57 -1.34 -2.49 116.57 117.00 1fip h LYS 91 Ca 0.46 -0.54 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1fip h LYS 91 Cb 0.50 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 1fip h LYS 91 CO -0.22 1.18 0.36 -0.07 -0.57 0.00 0.00 179.45 180.13 1fip h LEU 92 N 0.27 0.73 -0.59 2.94 3.38 -0.94 -2.54 115.31 118.56 1fip h LEU 92 Ca -0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1fip h LEU 92 Cb 1.64 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 1fip h LEU 92 CO 0.18 0.57 0.32 0.11 0.09 0.00 0.00 178.44 179.71 1fip h LYS 93 N 0.82 0.82 -0.86 1.13 6.56 -1.40 0.65 116.57 124.29 1fip h LYS 93 Ca 0.22 -0.10 0.13 0.00 -1.06 0.00 0.00 60.65 59.84 1fip h LYS 93 Cb -0.02 -0.16 -0.06 0.00 -0.57 0.00 0.00 32.23 31.42 1fip h LYS 93 CO -0.04 0.63 0.56 -0.22 -2.06 0.00 0.00 179.45 178.32 1fip h LYS 94 N 0.79 0.67 -0.52 3.15 3.64 -1.02 -0.69 116.57 122.60 1fip h LYS 94 Ca 0.21 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1fip h LYS 94 Cb 0.05 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1fip h LYS 94 CO -0.03 0.44 0.00 0.66 -2.27 0.00 0.00 179.45 178.25 1fip n TYR 95 N -4.54 0.98 -3.28 1.91 4.01 -1.08 -4.99 117.16 110.17 1fip n TYR 95 Ca 0.16 -0.59 -0.15 0.00 -0.16 0.00 0.00 57.90 57.16 1fip n TYR 95 Cb 0.43 -0.13 0.07 0.00 -0.31 0.00 0.00 39.34 39.40 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 0.81 -1.05 0.10 2.72 0.00 -0.27 -4.97 105.19 102.54 1fip n GLY 96 Ca 0.20 0.52 0.03 0.00 0.00 0.00 0.00 46.02 46.77 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 -3.37 1.50 0.00 1.61 2.81 0.22 -4.98 117.12 114.90 1fip n MET 97 Ca -0.10 -1.64 0.00 0.00 -1.81 0.00 0.00 57.70 54.14 1fip n MET 97 Cb 0.63 -1.02 0.00 0.00 -0.71 0.00 0.00 33.22 32.12 1fip n MET 97 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77