#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pul n TRP 19 N 0.00 0.95 -1.76 1.20 2.14 -1.26 -4.94 117.44 113.76 1pul n TRP 19 Ca 0.00 0.54 -0.38 0.00 2.07 0.00 0.00 57.50 59.73 1pul n TRP 19 Cb 0.00 -2.19 0.06 0.00 -0.81 0.00 0.00 31.31 28.36 1pul n TRP 19 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1pul s ASP 20 N -0.84 4.92 0.22 -0.67 1.11 -1.26 -4.80 116.67 115.35 1pul s ASP 20 Ca 0.65 2.70 -0.08 0.00 0.18 0.00 0.00 52.55 56.00 1pul s ASP 20 Cb -0.53 -2.63 0.36 0.00 1.07 0.00 0.00 42.92 41.19 1pul s ASP 20 CO 0.55 -1.80 1.68 -0.78 1.18 0.00 0.00 175.17 176.00 1pul h ASP 21 N 1.00 -0.13 0.02 0.27 3.58 -1.95 -0.49 116.42 118.71 1pul h ASP 21 Ca -0.51 0.15 -0.25 0.00 0.42 0.00 0.00 57.03 56.83 1pul h ASP 21 Cb 1.32 0.23 0.02 0.00 1.72 0.00 0.00 39.33 42.62 1pul h ASP 21 CO 0.55 -0.07 -0.99 0.00 -2.88 0.00 0.00 179.24 175.85 1pul h ALA 22 N 1.57 0.19 -0.99 -0.78 0.00 -2.02 -3.32 119.26 113.92 1pul h ALA 22 Ca 0.36 -0.68 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1pul h ALA 22 Cb 0.59 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1pul h ALA 22 CO -0.51 0.70 0.65 0.22 0.00 0.00 0.00 179.25 180.31 1pul h ASP 23 N 0.40 1.14 -0.22 0.00 3.58 -1.58 -1.98 116.42 117.76 1pul h ASP 23 Ca -0.11 -0.04 0.04 0.00 0.42 0.00 0.00 57.03 57.34 1pul h ASP 23 Cb 1.63 -0.29 -0.07 0.00 1.72 0.00 0.00 39.33 42.33 1pul h ASP 23 CO 0.19 0.83 -0.54 0.58 -2.88 0.00 0.00 179.24 177.42 1pul h VAL 24 N 1.34 0.01 -0.32 2.25 2.07 -1.24 0.17 116.25 120.53 1pul h VAL 24 Ca 0.36 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.83 1pul h VAL 24 Cb -0.14 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.62 1pul h VAL 24 CO -0.08 0.00 -0.01 0.50 0.02 0.00 0.00 177.57 178.00 1pul h LYS 25 N -0.52 0.57 -0.79 1.57 1.63 -1.69 0.80 116.57 118.14 1pul h LYS 25 Ca 0.05 -0.19 0.10 0.00 -0.85 0.00 0.00 60.65 59.77 1pul h LYS 25 Cb 0.66 -0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 32.16 1pul h LYS 25 CO -0.49 0.71 0.42 -0.22 -3.45 0.00 0.00 179.45 176.43 1pul h LYS 26 N 0.37 0.67 0.06 1.90 3.64 -0.91 0.38 116.57 122.69 1pul h LYS 26 Ca 0.09 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 1pul h LYS 26 Cb 0.46 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1pul h LYS 26 CO 0.02 0.44 -0.39 -0.09 -2.27 0.00 0.00 179.45 177.16 1pul h ARG 27 N 0.69 0.15 -0.45 1.90 2.43 -0.52 -2.47 114.38 116.12 1pul h ARG 27 Ca 0.39 -0.25 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1pul h ARG 27 Cb 0.42 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1pul h ARG 27 CO -0.28 1.10 0.29 -1.49 -1.51 0.00 0.00 179.97 178.09 1pul h TRP 28 N -0.67 0.56 -0.44 2.20 4.06 -0.64 -2.31 115.95 118.69 1pul h TRP 28 Ca -0.07 0.01 -0.05 0.00 2.06 0.00 0.00 58.89 60.85 1pul h TRP 28 Cb 1.29 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 29.25 1pul h TRP 28 CO 0.23 0.34 0.10 0.22 -3.56 0.00 0.00 178.44 175.78 1pul h ASP 29 N 0.60 0.68 -0.71 -3.49 3.58 -0.35 -2.74 116.42 113.99 1pul h ASP 29 Ca 0.17 -0.24 0.10 0.00 0.42 0.00 0.00 57.03 57.48 1pul h ASP 29 Cb -0.06 -0.18 -0.07 0.00 1.72 0.00 0.00 39.33 40.74 1pul h ASP 29 CO -0.04 0.74 0.35 0.00 -2.88 0.00 0.00 179.24 177.40 1pul h ALA 30 N 0.96 0.98 -0.74 -0.78 0.00 -1.23 0.18 119.26 118.63 1pul h ALA 30 Ca 0.14 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1pul h ALA 30 Cb 0.33 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1pul h ALA 30 CO 0.00 -0.07 0.49 0.74 0.00 0.00 0.00 179.25 180.41 1pul h PHE 31 N 0.58 0.76 0.15 0.00 0.04 -1.12 0.48 116.94 117.84 1pul h PHE 31 Ca 0.35 0.02 -0.33 0.00 2.80 0.00 0.00 57.97 60.81 1pul h PHE 31 Cb 0.39 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1pul h PHE 31 CO -0.11 0.39 -1.68 1.15 -0.60 0.00 0.00 178.31 177.46 1pul h THR 32 N 0.75 0.91 0.00 -1.55 2.02 -0.95 -3.21 112.91 110.87 1pul h THR 32 Ca 0.32 -2.44 0.00 0.00 0.77 0.00 0.00 66.41 65.06 1pul h THR 32 Cb 0.30 2.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1pul h THR 32 CO -0.11 0.81 -0.23 0.11 0.37 0.00 0.00 175.52 176.47 1pul h LYS 33 N -0.05 0.00 0.13 6.66 1.57 -0.66 -3.41 116.57 120.81 1pul h LYS 33 Ca -0.35 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.12 1pul h LYS 33 Cb 1.97 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.28 1pul h LYS 33 CO 0.12 0.00 -1.60 0.35 -0.57 0.00 0.00 179.45 177.75 1pul h PHE 34 N -0.90 0.50 0.00 -1.35 3.57 -1.31 -3.48 116.94 113.96 1pul h PHE 34 Ca 0.00 -0.36 0.00 0.00 3.53 0.00 0.00 57.97 61.14 1pul h PHE 34 Cb 0.23 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1pul h PHE 34 CO -0.10 1.44 0.00 0.41 -2.23 0.00 0.00 178.31 177.83 1pul n GLY 35 N 1.71 2.81 0.00 2.40 0.00 0.15 -5.01 105.19 107.26 1pul n GLY 35 Ca -0.19 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1pul n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pul n ALA 36 N 0.00 0.00 0.08 4.61 0.00 -0.90 -4.33 120.51 119.96 1pul n ALA 36 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1pul n ALA 36 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1pul n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pul h ALA 37 N 0.00 0.18 -3.00 0.00 0.00 -1.81 -3.43 119.26 111.20 1pul h ALA 37 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.81 1pul h ALA 37 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1pul h ALA 37 CO 0.00 1.05 0.00 0.25 0.00 0.00 0.00 179.25 180.55 1pul n THR 38 N -3.54 0.00 -4.29 0.00 -2.24 -1.26 -5.06 114.28 97.89 1pul n THR 38 Ca -0.20 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.27 1pul n THR 38 Cb 1.06 -0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 69.20 1pul n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pul n ALA 39 N -2.66 -2.02 0.39 6.98 0.00 -1.26 -4.87 120.51 117.07 1pul n ALA 39 Ca 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 53.44 52.87 1pul n ALA 39 Cb 0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 19.45 18.52 1pul n ALA 39 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1pul h THR 40 N -1.80 0.01 -3.41 0.00 2.02 -1.97 -3.45 112.91 104.30 1pul h THR 40 Ca -0.66 -0.25 -0.15 0.00 0.77 0.00 0.00 66.41 66.12 1pul h THR 40 Cb 1.40 0.01 -0.22 0.00 -1.74 0.00 0.00 68.15 67.60 1pul h THR 40 CO 0.70 0.00 -0.47 -1.61 0.37 0.00 0.00 175.52 174.51 1pul s GLU 41 N -4.88 0.43 -0.05 6.66 2.02 -1.26 -4.95 118.70 116.67 1pul s GLU 41 Ca -0.15 -0.21 -0.06 0.00 0.02 0.00 0.00 54.97 54.57 1pul s GLU 41 Cb 0.02 0.18 0.01 0.00 0.10 0.00 0.00 34.13 34.44 1pul s GLU 41 CO 0.45 -0.10 0.16 1.41 0.02 0.00 0.00 175.26 177.21 1pul s MET 42 N -1.00 0.24 0.27 1.61 1.75 -1.26 -5.01 119.30 115.90 1pul s MET 42 Ca -0.11 0.14 0.05 0.00 -1.25 0.00 0.00 55.69 54.51 1pul s MET 42 Cb -0.06 0.11 -0.03 0.00 2.84 0.00 0.00 34.83 37.70 1pul s MET 42 CO 0.01 -0.04 0.40 0.95 -0.65 0.00 0.00 175.02 175.70 1pul s THR 43 N -0.14 5.11 0.11 10.11 -4.23 -1.26 -3.15 115.64 122.19 1pul s THR 43 Ca -0.02 -0.92 -0.22 0.00 -1.18 0.00 0.00 61.69 59.35 1pul s THR 43 Cb -0.02 -3.81 -0.08 0.00 1.34 0.00 0.00 72.50 69.93 1pul s THR 43 CO 0.00 -0.34 1.70 1.23 -0.54 0.00 0.00 174.62 176.68 1pul h GLY 44 N 1.08 -0.02 0.74 3.99 0.00 -1.99 -2.63 103.07 104.23 1pul h GLY 44 Ca -0.51 0.09 0.14 0.00 0.00 0.00 0.00 47.33 47.05 1pul h GLY 44 CO 0.60 -0.08 0.49 0.50 0.00 0.00 0.00 176.54 178.05 1pul h LYS 45 N -0.10 0.39 0.00 4.80 1.57 -1.97 0.45 116.57 121.71 1pul h LYS 45 Ca 0.05 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 1pul h LYS 45 Cb 0.17 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1pul h LYS 45 CO -0.12 0.26 -0.63 -0.91 -0.57 0.00 0.00 179.45 177.48 1pul h ASN 46 N 0.40 0.00 0.18 0.86 2.35 -1.89 -1.60 115.58 115.87 1pul h ASN 46 Ca 0.35 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.75 1pul h ASN 46 Cb 0.82 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.18 1pul h ASN 46 CO -0.11 0.63 -1.86 0.15 -1.65 0.00 0.00 177.43 174.60 1pul h PHE 47 N 0.00 0.59 0.00 1.19 3.57 -0.52 -3.10 116.94 118.68 1pul h PHE 47 Ca -0.01 -0.43 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 1pul h PHE 47 Cb 1.18 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.90 1pul h PHE 47 CO 0.00 1.71 -0.02 -0.44 -2.23 0.00 0.00 178.31 177.32 1pul h ASP 48 N 0.09 0.00 0.00 0.41 3.32 -0.30 0.39 116.42 120.33 1pul h ASP 48 Ca -0.38 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.67 1pul h ASP 48 Cb 2.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.62 1pul h ASP 48 CO 0.14 0.02 -0.00 0.50 -1.72 0.00 0.00 179.24 178.18 1pul h LYS 49 N 0.00 -0.00 -0.77 3.56 3.64 -1.30 0.35 116.57 122.05 1pul h LYS 49 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1pul h LYS 49 Cb 0.09 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 1pul h LYS 49 CO 0.00 0.41 0.39 2.35 -2.27 0.00 0.00 179.45 180.34 1pul h TRP 50 N -0.42 1.07 -0.27 1.91 2.91 -1.31 -0.97 115.95 118.87 1pul h TRP 50 Ca -0.00 -0.03 -0.14 0.00 1.13 0.00 0.00 58.89 59.85 1pul h TRP 50 Cb 0.42 -0.34 -0.00 0.00 -0.51 0.00 0.00 29.16 28.72 1pul h TRP 50 CO 0.07 0.76 -0.36 -0.07 -1.03 0.00 0.00 178.44 177.81 1pul h LEU 51 N 1.08 0.79 0.06 0.65 -0.00 -0.77 -2.78 115.31 114.34 1pul h LEU 51 Ca 0.27 -0.50 -0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1pul h LEU 51 Cb 0.07 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.51 1pul h LEU 51 CO -0.04 1.13 -0.03 0.50 -0.00 0.00 0.00 178.44 180.01 1pul h LYS 52 N 0.46 -0.08 0.00 1.13 3.11 -0.20 0.34 116.57 121.34 1pul h LYS 52 Ca 0.03 0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.85 1pul h LYS 52 Cb 0.95 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.19 1pul h LYS 52 CO 0.08 0.51 -0.15 0.22 -2.81 0.00 0.00 179.45 177.30 1pul h ASP 53 N -0.77 0.00 0.74 4.20 3.58 -1.28 -0.91 116.42 121.99 1pul h ASP 53 Ca -0.01 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 1pul h ASP 53 Cb 0.62 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 1pul h ASP 53 CO 0.01 0.15 -0.64 0.00 -2.88 0.00 0.00 179.24 175.88 1pul h ALA 54 N 1.85 0.87 0.00 -0.78 0.00 -1.61 -3.48 119.26 116.11 1pul h ALA 54 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1pul h ALA 54 Cb 0.80 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1pul h ALA 54 CO 0.02 0.80 0.00 0.41 0.00 0.00 0.00 179.25 180.48 1pul n GLY 55 N 0.46 1.02 0.13 0.00 0.00 -0.35 -5.01 105.19 101.44 1pul n GLY 55 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1pul n GLY 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pul n VAL 56 N -1.95 1.59 -0.43 1.61 0.31 -0.59 -4.27 118.33 114.59 1pul n VAL 56 Ca 0.00 -0.35 -0.14 0.00 -0.01 0.00 0.00 64.34 63.85 1pul n VAL 56 Cb 0.00 -1.84 0.13 0.00 -0.91 0.00 0.00 33.84 31.22 1pul n VAL 56 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1pul n LEU 57 N -3.99 5.30 -2.72 7.52 7.94 0.01 -4.25 117.00 126.81 1pul n LEU 57 Ca -0.39 -2.79 -0.07 0.00 -1.11 0.00 0.00 56.01 51.64 1pul n LEU 57 Cb 0.87 -0.71 0.06 0.00 0.53 0.00 0.00 43.42 44.16 1pul n LEU 57 CO 0.22 0.82 0.32 -0.67 -1.11 0.00 0.00 177.39 176.97 1pul n ASP 58 N -0.47 -2.41 -0.01 1.96 2.03 -1.26 -4.77 116.55 111.62 1pul n ASP 58 Ca 0.37 -2.85 -0.01 0.00 0.52 0.00 0.00 54.79 52.82 1pul n ASP 58 Cb 1.23 1.50 -0.00 0.00 -0.72 0.00 0.00 41.12 43.12 1pul n ASP 58 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1pul n ASN 59 N 1.60 0.18 0.00 1.67 2.85 -1.26 -4.84 115.26 115.46 1pul n ASN 59 Ca 0.07 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1pul n ASN 59 Cb 0.65 -0.44 0.00 0.00 1.24 0.00 0.00 39.78 41.23 1pul n ASN 59 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1pul n LYS 60 N -2.68 0.00 0.13 1.20 2.85 -1.26 -4.92 118.16 113.48 1pul n LYS 60 Ca -0.01 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.38 1pul n LYS 60 Cb 0.04 0.00 0.38 0.00 -0.65 0.00 0.00 35.03 34.80 1pul n LYS 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1pul h ALA 61 N 0.00 1.00 -1.77 0.58 0.00 -2.00 -3.45 119.26 113.62 1pul h ALA 61 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 1pul h ALA 61 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pul h ALA 61 CO 0.00 0.00 1.35 -0.89 0.00 0.00 0.00 179.25 179.71 1pul n ILE 62 N -2.42 0.40 -1.82 0.00 2.08 -1.26 -4.95 119.36 111.39 1pul n ILE 62 Ca 0.05 -0.29 -0.26 0.00 0.56 0.00 0.00 62.75 62.81 1pul n ILE 62 Cb 0.43 -2.11 0.18 0.00 -0.75 0.00 0.00 39.64 37.38 1pul n ILE 62 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1pul n THR 63 N 6.75 0.00 0.44 1.39 -2.24 -1.26 -4.93 114.28 114.43 1pul n THR 63 Ca 0.30 -0.87 0.04 0.00 -2.27 0.00 0.00 64.05 61.26 1pul n THR 63 Cb 0.34 -1.56 -0.05 0.00 -2.10 0.00 0.00 70.33 66.97 1pul n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pul n GLY 64 N -2.61 0.09 0.05 3.38 0.00 -1.26 -4.41 105.19 100.44 1pul n GLY 64 Ca 0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 1pul n GLY 64 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1pul h THR 65 N 0.10 0.02 -0.40 2.61 2.02 -1.97 -2.44 112.91 112.85 1pul h THR 65 Ca 0.00 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.17 1pul h THR 65 Cb 0.23 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1pul h THR 65 CO 0.00 0.01 0.25 0.24 0.37 0.00 0.00 175.52 176.39 1pul h MET 66 N -1.00 0.54 -0.60 6.66 2.07 -1.98 -0.51 114.93 120.10 1pul h MET 66 Ca -0.00 -0.04 -0.06 0.00 -2.07 0.00 0.00 59.70 57.52 1pul h MET 66 Cb 0.07 -0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 29.66 1pul h MET 66 CO -0.00 0.38 0.13 1.79 1.07 0.00 0.00 176.91 180.28 1pul h THR 67 N 0.54 1.25 -0.60 2.22 1.35 -1.77 -0.07 112.91 115.82 1pul h THR 67 Ca 0.15 -0.92 -0.02 0.00 -0.55 0.00 0.00 66.41 65.07 1pul h THR 67 Cb -0.03 0.65 -0.03 0.00 -1.73 0.00 0.00 68.15 67.01 1pul h THR 67 CO -0.03 0.34 0.31 1.23 -0.25 0.00 0.00 175.52 177.12 1pul h GLY 68 N 1.03 0.91 0.89 5.82 0.00 -0.89 0.42 103.07 111.25 1pul h GLY 68 Ca 0.19 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1pul h GLY 68 CO 0.00 0.41 0.08 -2.22 0.00 0.00 0.00 176.54 174.81 1pul h ILE 69 N 0.82 1.16 -0.32 2.60 2.04 -0.78 -0.97 117.51 122.05 1pul h ILE 69 Ca 0.21 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.64 1pul h ILE 69 Cb 0.08 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1pul h ILE 69 CO -0.03 0.15 0.05 0.00 0.00 0.00 0.00 178.15 178.32 1pul h ALA 70 N 0.92 0.32 -0.69 1.87 0.00 -0.73 -1.33 119.26 119.62 1pul h ALA 70 Ca 0.06 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1pul h ALA 70 Cb 0.17 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1pul h ALA 70 CO -0.01 -0.36 0.38 0.35 0.00 0.00 0.00 179.25 179.62 1pul h PHE 71 N 0.15 0.70 -0.13 0.00 3.57 0.02 -0.79 116.94 120.47 1pul h PHE 71 Ca 0.15 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 1pul h PHE 71 Cb 0.18 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1pul h PHE 71 CO -0.19 0.33 -0.31 0.77 -2.23 0.00 0.00 178.31 176.68 1pul h SER 72 N 0.70 0.24 0.94 0.41 0.02 -0.63 0.22 113.55 115.45 1pul h SER 72 Ca 0.31 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.10 1pul h SER 72 Cb 0.21 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1pul h SER 72 CO -0.19 0.55 -0.38 0.11 -1.14 0.00 0.00 176.83 175.78 1pul h LYS 73 N 0.22 0.00 0.00 3.45 1.79 -0.29 -2.18 116.57 119.56 1pul h LYS 73 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1pul h LYS 73 Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1pul h LYS 73 CO 0.05 0.38 -0.30 0.28 -1.08 0.00 0.00 179.45 178.77 1pul h VAL 74 N 0.00 0.00 -0.40 0.50 2.07 -0.43 -3.42 116.25 114.57 1pul h VAL 74 Ca -0.00 -0.62 -0.20 0.00 0.82 0.00 0.00 66.70 66.70 1pul h VAL 74 Cb 0.95 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.60 1pul h VAL 74 CO 0.05 0.00 -0.02 0.35 0.02 0.00 0.00 177.57 177.97 1pul n THR 75 N -3.72 2.60 0.17 2.57 -2.24 0.69 -4.52 114.28 109.83 1pul n THR 75 Ca -0.04 -2.64 -0.09 0.00 -2.27 0.00 0.00 64.05 59.00 1pul n THR 75 Cb 0.16 -0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 68.01 1pul n THR 75 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1pul h GLY 76 N 1.05 -0.53 -0.91 3.38 0.00 -1.45 -3.47 103.07 101.14 1pul h GLY 76 Ca 0.24 0.20 -0.47 0.00 0.00 0.00 0.00 47.33 47.30 1pul h GLY 76 CO 0.44 -0.19 0.36 2.56 0.00 0.00 0.00 176.54 179.70 1pul s PRO 77 N -3.47 2.34 0.07 4.80 0.04 -1.26 -4.94 135.00 132.57 1pul s PRO 77 Ca -0.09 0.13 0.10 0.00 0.04 0.00 0.00 61.00 61.17 1pul s PRO 77 Cb 0.01 -2.04 0.45 0.00 0.04 0.00 0.00 34.50 32.96 1pul s PRO 77 CO 0.30 -1.30 1.30 0.36 0.04 0.00 0.00 177.00 177.71 1pul n LYS 78 N -3.09 0.04 -0.34 4.56 2.85 -1.26 -2.79 118.16 118.13 1pul n LYS 78 Ca 0.07 0.44 0.28 0.00 -1.05 0.00 0.00 58.31 58.06 1pul n LYS 78 Cb 0.60 -1.60 0.60 0.00 -0.65 0.00 0.00 35.03 33.97 1pul n LYS 78 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1pul h LYS 79 N 0.00 0.23 -0.43 -1.58 3.64 -1.93 -3.48 116.57 113.02 1pul h LYS 79 Ca 0.00 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1pul h LYS 79 Cb 0.11 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1pul h LYS 79 CO 0.00 0.15 -0.10 1.63 -2.27 0.00 0.00 179.45 178.86 1pul n LYS 80 N -4.49 -0.40 -2.98 1.90 4.76 -1.12 -4.66 118.16 111.17 1pul n LYS 80 Ca 0.27 0.29 -0.44 0.00 -2.87 0.00 0.00 58.31 55.56 1pul n LYS 80 Cb 1.06 -0.48 -0.00 0.00 -1.84 0.00 0.00 35.03 33.77 1pul n LYS 80 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pul s ALA 81 N -1.82 4.00 0.00 7.82 0.00 -1.19 -4.83 121.76 125.75 1pul s ALA 81 Ca 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 51.96 48.62 1pul s ALA 81 Cb 0.00 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 19.05 1pul s ALA 81 CO 0.00 -2.75 0.00 0.25 0.00 0.00 0.00 175.76 173.26 1pul n THR 82 N 4.55 0.00 -0.14 0.00 -2.24 -1.26 -4.07 114.28 111.12 1pul n THR 82 Ca 0.34 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 62.06 1pul n THR 82 Cb 0.43 -0.70 0.03 0.00 -2.10 0.00 0.00 70.33 67.99 1pul n THR 82 CO 0.00 0.00 0.00 2.19 -0.57 0.00 0.00 175.07 176.69 1pul h PHE 83 N 0.00 0.43 -0.52 4.78 -0.00 -1.87 -0.15 116.94 119.61 1pul h PHE 83 Ca 0.00 0.02 -0.07 0.00 -0.00 0.00 0.00 57.97 57.92 1pul h PHE 83 Cb 0.00 -0.13 -0.02 0.00 -0.00 0.00 0.00 35.95 35.80 1pul h PHE 83 CO 0.00 0.23 0.04 0.22 -0.00 0.00 0.00 178.31 178.79 1pul h ASP 84 N 0.46 0.81 -0.18 -0.68 3.58 -1.93 -0.97 116.42 117.52 1pul h ASP 84 Ca 0.19 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1pul h ASP 84 Cb 0.07 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.90 1pul h ASP 84 CO -0.12 0.85 -0.01 -0.33 -2.88 0.00 0.00 179.24 176.75 1pul h GLU 85 N 0.80 0.32 -0.88 0.28 3.07 -1.74 -1.37 114.58 115.05 1pul h GLU 85 Ca 0.16 -0.11 0.03 0.00 -0.50 0.00 0.00 59.36 58.95 1pul h GLU 85 Cb 0.42 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.26 1pul h GLU 85 CO 0.01 0.54 0.57 1.15 -1.40 0.00 0.00 179.01 179.89 1pul h THR 86 N 0.06 1.14 -0.68 1.13 2.02 -0.71 -0.14 112.91 115.73 1pul h THR 86 Ca 0.05 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 66.86 1pul h THR 86 Cb 0.41 -0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.72 1pul h THR 86 CO 0.01 0.20 0.44 0.50 0.37 0.00 0.00 175.52 177.05 1pul h LYS 87 N 1.10 0.87 -0.42 6.66 1.63 -1.01 -2.62 116.57 122.78 1pul h LYS 87 Ca 0.35 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 60.06 1pul h LYS 87 Cb 0.01 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.43 1pul h LYS 87 CO -0.12 0.58 0.12 0.87 -3.45 0.00 0.00 179.45 177.45 1pul h LYS 88 N 0.90 0.65 0.67 1.90 1.57 -0.16 -2.48 116.57 119.63 1pul h LYS 88 Ca 0.26 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1pul h LYS 88 Cb -0.07 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1pul h LYS 88 CO -0.07 0.65 -0.39 0.28 -0.57 0.00 0.00 179.45 179.35 1pul h VAL 89 N 0.53 0.20 -0.62 0.50 2.07 -0.82 0.21 116.25 118.32 1pul h VAL 89 Ca 0.13 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.73 1pul h VAL 89 Cb 0.28 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1pul h VAL 89 CO -0.00 0.00 0.41 -0.07 0.02 0.00 0.00 177.57 177.93 1pul h LEU 90 N -0.99 0.47 0.04 2.57 -0.00 -1.52 0.11 115.31 115.99 1pul h LEU 90 Ca -0.09 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.80 1pul h LEU 90 Cb 0.80 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 1pul h LEU 90 CO 0.10 0.30 -0.02 0.00 -0.00 0.00 0.00 178.44 178.82 1pul h ALA 91 N 1.67 -0.05 -0.21 1.53 0.00 -1.04 -2.66 119.26 118.50 1pul h ALA 91 Ca 0.28 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1pul h ALA 91 Cb 0.39 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1pul h ALA 91 CO -0.08 -0.22 -0.63 0.74 0.00 0.00 0.00 179.25 179.06 1pul h PHE 92 N -0.67 0.96 -0.42 0.00 0.04 -0.17 0.78 116.94 117.46 1pul h PHE 92 Ca -0.00 -0.37 -0.03 0.00 2.80 0.00 0.00 57.97 60.36 1pul h PHE 92 Cb 0.60 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 1pul h PHE 92 CO 0.13 1.18 0.13 0.28 -0.60 0.00 0.00 178.31 179.43 1pul h VAL 93 N 0.55 1.22 -0.77 -0.55 2.07 -0.91 -2.52 116.25 115.33 1pul h VAL 93 Ca -0.01 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 1pul h VAL 93 Cb 1.23 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 1pul h VAL 93 CO 0.13 0.25 0.36 0.00 0.02 0.00 0.00 177.57 178.34 1pul h ALA 94 N 0.98 0.99 -0.71 1.67 0.00 -1.39 -3.03 119.26 117.77 1pul h ALA 94 Ca 0.13 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1pul h ALA 94 Cb 0.26 -0.30 -0.10 0.00 0.00 0.00 0.00 17.79 17.64 1pul h ALA 94 CO -0.00 0.57 0.18 1.49 0.00 0.00 0.00 179.25 181.49 1pul h GLU 95 N 1.09 0.28 -0.13 0.00 4.22 -0.43 0.71 114.58 120.32 1pul h GLU 95 Ca 0.26 -0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.73 1pul h GLU 95 Cb 0.13 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.26 1pul h GLU 95 CO -0.03 0.18 -0.40 0.22 -2.18 0.00 0.00 179.01 176.80 1pul h ASP 96 N 0.29 -1.26 -0.12 1.04 1.82 -1.34 0.60 116.42 117.45 1pul h ASP 96 Ca 0.40 0.17 -0.06 0.00 -0.39 0.00 0.00 57.03 57.15 1pul h ASP 96 Cb 0.66 0.52 -0.00 0.00 0.68 0.00 0.00 39.33 41.18 1pul h ASP 96 CO -0.48 -0.42 -0.14 -0.09 -1.61 0.00 0.00 179.24 176.50 1pul h ARG 97 N -0.48 0.31 -0.46 0.28 2.43 -1.43 -3.30 114.38 111.73 1pul h ARG 97 Ca 0.08 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1pul h ARG 97 Cb 0.61 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 1pul h ARG 97 CO -0.39 0.73 0.29 0.00 -1.51 0.00 0.00 179.97 179.09 1pul h ALA 98 N 0.58 0.59 -0.59 2.80 0.00 0.67 -0.73 119.26 122.59 1pul h ALA 98 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pul h ALA 98 Cb 0.68 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1pul h ALA 98 CO 0.03 -0.00 0.34 -0.09 0.00 0.00 0.00 179.25 179.53 1pul h ARG 99 N 0.59 0.79 0.00 0.00 2.43 -0.99 0.63 114.38 117.83 1pul h ARG 99 Ca 0.18 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1pul h ARG 99 Cb -0.03 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1pul h ARG 99 CO -0.06 0.56 -0.60 1.04 -1.51 0.00 0.00 179.97 179.40 1pul n GLN 100 N -4.41 0.03 -0.04 0.20 6.02 -0.90 -4.03 117.38 114.25 1pul n GLN 100 Ca 0.06 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.00 1pul n GLN 100 Cb 0.08 -1.51 -0.01 0.00 1.02 0.00 0.00 30.24 29.81 1pul n GLN 100 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1pul n SER 101 N -1.55 0.96 0.00 1.08 7.64 -0.33 -4.97 113.62 116.45 1pul n SER 101 Ca 0.05 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1pul n SER 101 Cb 0.34 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 1pul n SER 101 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1pul n LYS 102 N -3.46 0.00 0.00 1.43 4.76 0.04 -5.08 118.16 115.84 1pul n LYS 102 Ca -0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 1pul n LYS 102 Cb 0.25 -0.15 0.00 0.00 -1.84 0.00 0.00 35.03 33.29 1pul n LYS 102 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1pul n LYS 103 N -1.80 0.00 -2.67 1.97 4.81 -0.19 -4.91 118.16 115.37 1pul n LYS 103 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 1pul n LYS 103 Cb 0.00 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 1pul n LYS 103 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1pul s PRO 104 N 0.00 4.04 0.09 1.64 0.02 -1.26 -3.97 135.00 135.56 1pul s PRO 104 Ca 0.00 1.17 -0.10 0.00 0.02 0.00 0.00 61.00 62.10 1pul s PRO 104 Cb 0.00 -2.15 -0.19 0.00 0.02 0.00 0.00 34.50 32.18 1pul s PRO 104 CO 0.00 -0.20 1.21 -0.84 -0.33 0.00 0.00 177.00 176.85 1pul h ILE 105 N 1.65 1.34 -0.94 2.83 -0.00 -1.92 -3.31 117.51 117.15 1pul h ILE 105 Ca -0.49 -2.42 0.15 0.00 -0.00 0.00 0.00 64.86 62.11 1pul h ILE 105 Cb 1.19 2.49 -0.10 0.00 -0.00 0.00 0.00 36.82 40.41 1pul h ILE 105 CO 0.60 0.73 0.55 -0.61 -0.00 0.00 0.00 178.15 179.42 1pul h GLN 106 N 0.29 0.75 -0.18 0.16 -0.00 -1.97 0.59 115.11 114.75 1pul h GLN 106 Ca -0.12 -0.04 0.05 0.00 -0.00 0.00 0.00 58.65 58.53 1pul h GLN 106 Cb 1.71 -0.17 -0.07 0.00 0.00 0.00 0.00 27.48 28.95 1pul h GLN 106 CO 0.20 0.49 -0.43 -0.44 0.00 0.00 0.00 178.83 178.65 1pul h ASP 107 N 0.77 -1.36 0.77 -0.69 5.19 -1.99 0.30 116.42 119.40 1pul h ASP 107 Ca 0.51 0.18 -0.20 0.00 -0.62 0.00 0.00 57.03 56.90 1pul h ASP 107 Cb 0.69 0.56 -0.02 0.00 0.18 0.00 0.00 39.33 40.74 1pul h ASP 107 CO -0.34 -0.42 -0.92 -0.33 -3.12 0.00 0.00 179.24 174.11 1pul h GLU 108 N -0.47 0.09 -0.62 3.56 4.39 -1.57 -2.71 114.58 117.25 1pul h GLU 108 Ca 0.08 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 1pul h GLU 108 Cb 0.62 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 1pul h GLU 108 CO -0.43 0.94 0.09 1.25 -1.16 0.00 0.00 179.01 179.71 1pul h LEU 109 N 0.04 0.99 -0.79 1.33 5.85 -0.57 -0.12 115.31 122.05 1pul h LEU 109 Ca -0.03 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 1pul h LEU 109 Cb 1.59 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 1pul h LEU 109 CO 0.13 1.00 0.26 -0.78 -0.34 0.00 0.00 178.44 178.71 1pul h ASP 110 N 0.94 1.08 -0.48 1.25 3.58 -0.38 0.37 116.42 122.79 1pul h ASP 110 Ca 0.19 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1pul h ASP 110 Cb 0.44 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 1pul h ASP 110 CO 0.01 0.99 0.32 0.00 -2.88 0.00 0.00 179.24 177.68 1pul h ALA 111 N 1.16 0.61 -0.11 -0.78 0.00 -1.14 0.16 119.26 119.16 1pul h ALA 111 Ca 0.25 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1pul h ALA 111 Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1pul h ALA 111 CO -0.01 0.06 0.02 0.82 0.00 0.00 0.00 179.25 180.13 1pul h ILE 112 N 0.65 0.95 -0.36 0.00 2.04 -0.28 0.15 117.51 120.66 1pul h ILE 112 Ca 0.18 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 66.03 1pul h ILE 112 Cb -0.08 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1pul h ILE 112 CO -0.04 0.01 0.22 0.74 0.00 0.00 0.00 178.15 179.08 1pul h THR 113 N 0.06 1.05 -0.52 -0.27 2.02 0.03 -2.34 112.91 112.95 1pul h THR 113 Ca 0.05 -0.15 -0.10 0.00 0.77 0.00 0.00 66.41 66.97 1pul h THR 113 Cb 0.04 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1pul h THR 113 CO -0.07 0.08 -0.08 -0.08 0.37 0.00 0.00 175.52 175.74 1pul h GLU 114 N 0.45 0.97 -0.93 6.66 4.81 -0.57 -3.02 114.58 122.94 1pul h GLU 114 Ca 0.14 -0.35 0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1pul h GLU 114 Cb -0.01 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 1pul h GLU 114 CO -0.06 1.02 0.61 -0.22 -0.73 0.00 0.00 179.01 179.63 1pul h LYS 115 N 0.83 1.15 -0.18 1.92 1.63 -0.28 0.55 116.57 122.19 1pul h LYS 115 Ca 0.14 -0.07 -0.17 0.00 -0.85 0.00 0.00 60.65 59.69 1pul h LYS 115 Cb 0.64 -0.26 -0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1pul h LYS 115 CO 0.04 0.76 -0.60 -0.07 -3.45 0.00 0.00 179.45 176.13 1pul h LEU 116 N 1.19 0.68 -0.75 5.20 3.38 -1.43 -0.49 115.31 123.08 1pul h LEU 116 Ca 0.37 -0.39 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1pul h LEU 116 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1pul h LEU 116 CO -0.11 1.13 -0.06 0.00 0.09 0.00 0.00 178.44 179.49 1pul h ALA 117 N 0.88 0.95 0.00 1.53 0.00 -1.19 -1.78 119.26 119.65 1pul h ALA 117 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1pul h ALA 117 Cb 1.17 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1pul h ALA 117 CO 0.12 0.62 0.00 -0.22 0.00 0.00 0.00 179.25 179.77 1pul h LYS 118 N 0.81 0.00 -0.92 0.00 1.63 0.36 -2.52 116.57 115.93 1pul h LYS 118 Ca 0.14 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1pul h LYS 118 Cb 0.56 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1pul h LYS 118 CO 0.03 0.00 0.00 -0.11 -3.45 0.00 0.00 179.45 175.92 1pul n LEU 119 N -2.94 1.06 0.00 5.20 7.94 -0.22 -5.06 117.00 122.99 1pul n LEU 119 Ca -0.00 -0.53 0.00 0.00 -1.11 0.00 0.00 56.01 54.37 1pul n LEU 119 Cb 0.23 -0.47 0.00 0.00 0.53 0.00 0.00 43.42 43.71 1pul n LEU 119 CO 0.24 0.24 0.00 -0.62 -1.11 0.00 0.00 177.39 176.14