#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pul s TRP 19 N 0.00 1.66 0.89 3.10 -2.14 -1.26 -4.98 118.94 116.20 1pul s TRP 19 Ca 0.00 0.74 -0.14 0.00 2.66 0.00 0.00 56.10 59.36 1pul s TRP 19 Cb 0.00 -4.05 0.13 0.00 -3.10 0.00 0.00 33.47 26.45 1pul s TRP 19 CO 0.00 -2.86 1.22 -0.51 -2.66 0.00 0.00 176.95 172.14 1pul s ASP 20 N 7.26 3.79 0.11 -2.66 1.01 -1.26 -4.63 116.67 120.29 1pul s ASP 20 Ca 0.80 0.63 -0.33 0.00 0.71 0.00 0.00 52.55 54.36 1pul s ASP 20 Cb -0.21 -0.97 -0.13 0.00 1.01 0.00 0.00 42.92 42.63 1pul s ASP 20 CO 0.30 -2.34 1.54 -0.78 0.21 0.00 0.00 175.17 174.09 1pul h ASP 21 N -1.36 -1.68 0.31 0.27 1.82 -1.92 0.19 116.42 114.05 1pul h ASP 21 Ca -0.46 0.20 -0.32 0.00 -0.39 0.00 0.00 57.03 56.06 1pul h ASP 21 Cb 1.30 0.65 0.03 0.00 0.68 0.00 0.00 39.33 41.99 1pul h ASP 21 CO 0.55 -0.47 -1.41 0.00 -1.61 0.00 0.00 179.24 176.30 1pul h ALA 22 N -0.35 -0.10 -0.60 -0.78 0.00 -2.01 -3.35 119.26 112.07 1pul h ALA 22 Ca 0.03 -0.85 0.06 0.00 0.00 0.00 0.00 54.91 54.15 1pul h ALA 22 Cb 0.66 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1pul h ALA 22 CO -0.42 0.74 0.30 0.22 0.00 0.00 0.00 179.25 180.09 1pul h ASP 23 N 0.15 0.40 -0.34 0.00 3.58 -1.85 -0.32 116.42 118.04 1pul h ASP 23 Ca -0.23 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 1pul h ASP 23 Cb 2.10 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 43.11 1pul h ASP 23 CO 0.26 0.26 0.17 1.62 -2.88 0.00 0.00 179.24 178.67 1pul h VAL 24 N 0.55 1.15 -0.63 2.25 3.04 -0.77 0.11 116.25 121.95 1pul h VAL 24 Ca 0.28 -0.41 -0.09 0.00 -1.01 0.00 0.00 66.70 65.47 1pul h VAL 24 Cb 0.23 0.81 -0.02 0.00 -2.01 0.00 0.00 31.29 30.29 1pul h VAL 24 CO -0.21 0.16 0.04 0.50 -1.01 0.00 0.00 177.57 177.05 1pul h LYS 25 N 0.41 1.09 -0.38 4.17 3.11 -1.61 -1.35 116.57 122.02 1pul h LYS 25 Ca 0.12 -0.33 -0.10 0.00 -2.81 0.00 0.00 60.65 57.53 1pul h LYS 25 Cb 0.09 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 1pul h LYS 25 CO -0.02 1.04 -0.14 -0.22 -2.81 0.00 0.00 179.45 177.30 1pul h LYS 26 N 1.00 0.77 -0.45 1.90 3.64 -0.72 -0.28 116.57 122.43 1pul h LYS 26 Ca 0.18 -0.32 -0.14 0.00 -1.27 0.00 0.00 60.65 59.11 1pul h LYS 26 Cb 0.52 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1pul h LYS 26 CO 0.02 0.93 -0.25 0.00 -2.27 0.00 0.00 179.45 177.88 1pul h ARG 27 N 0.57 0.96 -0.56 1.90 3.08 -0.68 0.19 114.38 119.84 1pul h ARG 27 Ca 0.09 -0.43 -0.09 0.00 0.07 0.00 0.00 59.98 59.61 1pul h ARG 27 Cb 0.68 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1pul h ARG 27 CO 0.05 1.10 -0.02 2.35 -1.07 0.00 0.00 179.97 182.38 1pul h TRP 28 N 0.80 1.09 -0.55 3.04 7.01 -1.14 -2.58 115.95 123.62 1pul h TRP 28 Ca 0.09 -0.20 -0.07 0.00 2.11 0.00 0.00 58.89 60.83 1pul h TRP 28 Cb 0.83 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.59 1pul h TRP 28 CO 0.06 0.99 0.07 0.22 -2.79 0.00 0.00 178.44 176.98 1pul h ASP 29 N 0.88 0.89 -0.98 2.65 3.58 -0.97 -3.10 116.42 119.37 1pul h ASP 29 Ca 0.16 -0.27 0.29 0.00 0.42 0.00 0.00 57.03 57.63 1pul h ASP 29 Cb 0.57 -0.24 -0.14 0.00 1.72 0.00 0.00 39.33 41.24 1pul h ASP 29 CO 0.03 0.94 0.50 0.00 -2.88 0.00 0.00 179.24 177.83 1pul h ALA 30 N 0.98 1.79 -0.82 -0.78 0.00 -0.21 0.36 119.26 120.59 1pul h ALA 30 Ca 0.16 0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.45 1pul h ALA 30 Cb 0.44 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1pul h ALA 30 CO 0.01 -0.51 0.55 0.74 0.00 0.00 0.00 179.25 180.05 1pul h PHE 31 N 0.34 0.41 0.14 0.00 0.04 -1.44 0.63 116.94 117.06 1pul h PHE 31 Ca 0.68 0.01 -0.33 0.00 2.80 0.00 0.00 57.97 61.14 1pul h PHE 31 Cb 1.50 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 39.52 1pul h PHE 31 CO -0.06 0.13 -1.71 1.15 -0.60 0.00 0.00 178.31 177.21 1pul h THR 32 N 0.33 0.87 0.04 -1.55 2.02 -0.50 -3.25 112.91 110.86 1pul h THR 32 Ca 0.41 -2.42 -0.00 0.00 0.77 0.00 0.00 66.41 65.17 1pul h THR 32 Cb 1.10 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 70.17 1pul h THR 32 CO -0.12 0.81 -0.02 0.11 0.37 0.00 0.00 175.52 176.67 1pul h LYS 33 N -0.05 -0.05 0.13 6.66 1.79 -0.68 -3.41 116.57 120.95 1pul h LYS 33 Ca -0.36 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 57.78 1pul h LYS 33 Cb 1.96 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.62 1pul h LYS 33 CO 0.11 -0.04 -1.73 0.35 -1.08 0.00 0.00 179.45 177.06 1pul h PHE 34 N -0.74 0.49 0.00 -1.35 3.57 -0.14 -3.48 116.94 115.28 1pul h PHE 34 Ca -0.01 -0.36 0.00 0.00 3.53 0.00 0.00 57.97 61.14 1pul h PHE 34 Cb 0.04 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1pul h PHE 34 CO 0.00 1.53 0.00 0.41 -2.23 0.00 0.00 178.31 178.02 1pul n GLY 35 N 1.79 0.76 2.95 2.40 0.00 0.43 -4.65 105.19 108.88 1pul n GLY 35 Ca -0.23 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.77 -2.40 1.16 4.61 0.00 -1.25 -4.85 120.51 116.01 1pul n ALA 36 Ca 0.00 0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.60 1pul n ALA 36 Cb 0.00 -2.01 0.65 0.00 0.00 0.00 0.00 19.45 18.09 1pul n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pul n ALA 37 N -1.93 2.33 0.07 0.00 0.00 -1.26 -2.69 120.51 117.02 1pul n ALA 37 Ca -0.01 -0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.41 1pul n ALA 37 Cb 0.52 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 1pul n ALA 37 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1pul n THR 38 N -1.38 0.58 -3.15 0.00 -2.24 -1.26 -4.64 114.28 102.19 1pul n THR 38 Ca 0.10 -0.56 -0.19 0.00 -2.27 0.00 0.00 64.05 61.13 1pul n THR 38 Cb 0.27 -0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 68.12 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 -2.24 1.20 0.04 6.98 0.00 -1.10 -4.97 120.51 120.43 1pul n ALA 39 Ca -0.03 -2.45 0.07 0.00 0.00 0.00 0.00 53.44 51.03 1pul n ALA 39 Cb 0.60 -1.01 -0.08 0.00 0.00 0.00 0.00 19.45 18.97 1pul n ALA 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1pul n THR 40 N 2.59 0.62 -3.71 0.00 -1.04 -1.15 -4.79 114.28 106.80 1pul n THR 40 Ca 0.24 -0.59 -0.38 0.00 -2.04 0.00 0.00 64.05 61.28 1pul n THR 40 Cb 0.52 -0.34 -0.12 0.00 -1.82 0.00 0.00 70.33 68.57 1pul n THR 40 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1pul s GLU 41 N -3.25 2.66 -0.22 -2.82 2.12 -1.26 -4.96 118.70 110.97 1pul s GLU 41 Ca -0.04 -1.17 -0.08 0.00 0.36 0.00 0.00 54.97 54.04 1pul s GLU 41 Cb 0.10 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.92 1pul s GLU 41 CO 0.83 -0.69 0.08 1.41 -0.54 0.00 0.00 175.26 176.36 1pul s MET 42 N 1.44 3.84 -0.05 4.30 -2.45 -1.26 -5.10 119.30 120.01 1pul s MET 42 Ca -0.01 -0.40 -0.03 0.00 -1.25 0.00 0.00 55.69 54.00 1pul s MET 42 Cb -0.20 -3.31 -0.04 0.00 1.25 0.00 0.00 34.83 32.53 1pul s MET 42 CO 0.04 0.02 0.13 0.95 1.05 0.00 0.00 175.02 177.21 1pul s THR 43 N 1.06 5.20 0.53 10.11 -4.23 -1.26 -4.36 115.64 122.69 1pul s THR 43 Ca 0.05 -0.11 0.21 0.00 -1.18 0.00 0.00 61.69 60.65 1pul s THR 43 Cb -0.14 -3.35 0.33 0.00 1.34 0.00 0.00 72.50 70.68 1pul s THR 43 CO 0.03 0.45 2.08 1.23 -0.54 0.00 0.00 174.62 177.87 1pul h GLY 44 N 4.36 0.00 0.95 3.99 0.00 -1.17 -0.94 103.07 110.25 1pul h GLY 44 Ca -0.51 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1pul h GLY 44 CO 0.63 0.00 -0.37 1.70 0.00 0.00 0.00 176.54 178.50 1pul h LYS 45 N 0.00 -1.00 -0.43 4.80 3.64 -1.93 0.39 116.57 122.04 1pul h LYS 45 Ca 0.12 0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 1pul h LYS 45 Cb 0.47 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1pul h LYS 45 CO -0.00 -0.65 -0.09 -0.91 -2.27 0.00 0.00 179.45 175.53 1pul h ASN 46 N -1.11 0.73 -0.37 4.20 2.35 -1.86 -2.73 115.58 116.81 1pul h ASN 46 Ca -0.11 -0.21 -0.14 0.00 -0.55 0.00 0.00 56.30 55.30 1pul h ASN 46 Cb 0.81 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 1pul h ASN 46 CO 0.17 0.85 -0.31 0.15 -1.65 0.00 0.00 177.43 176.64 1pul h PHE 47 N 0.68 1.02 -1.00 1.19 3.57 -1.16 0.17 116.94 121.41 1pul h PHE 47 Ca 0.12 -0.29 0.05 0.00 3.53 0.00 0.00 57.97 61.38 1pul h PHE 47 Cb 0.55 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 1pul h PHE 47 CO 0.03 1.09 0.65 0.22 -2.23 0.00 0.00 178.31 178.07 1pul h ASP 48 N 0.66 1.06 0.10 0.41 3.58 -0.75 0.12 116.42 121.60 1pul h ASP 48 Ca 0.06 -0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.28 1pul h ASP 48 Cb 0.89 -0.23 0.02 0.00 1.72 0.00 0.00 39.33 41.74 1pul h ASP 48 CO 0.08 0.70 -0.98 0.11 -2.88 0.00 0.00 179.24 176.28 1pul h LYS 49 N 1.22 0.48 -0.98 0.28 1.57 -1.27 0.50 116.57 118.38 1pul h LYS 49 Ca 0.41 -0.65 0.19 0.00 -1.87 0.00 0.00 60.65 58.73 1pul h LYS 49 Cb 0.08 0.22 -0.09 0.00 0.08 0.00 0.00 32.23 32.52 1pul h LYS 49 CO -0.15 1.28 0.61 2.35 -0.57 0.00 0.00 179.45 182.97 1pul h TRP 50 N -0.01 0.93 -0.02 -1.35 2.91 -0.39 0.16 115.95 118.18 1pul h TRP 50 Ca -0.15 0.03 -0.24 0.00 1.13 0.00 0.00 58.89 59.66 1pul h TRP 50 Cb 1.70 -0.28 0.01 0.00 -0.51 0.00 0.00 29.16 30.08 1pul h TRP 50 CO 0.15 0.24 -0.94 -0.07 -1.03 0.00 0.00 178.44 176.78 1pul h LEU 51 N 0.70 0.70 0.34 0.65 -0.00 -0.57 -2.19 115.31 114.93 1pul h LEU 51 Ca 0.54 -0.54 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1pul h LEU 51 Cb 0.93 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.35 1pul h LEU 51 CO -0.31 1.34 -0.34 0.50 -0.00 0.00 0.00 178.44 179.62 1pul h LYS 52 N 0.32 -0.68 0.00 1.13 3.64 0.35 -2.15 116.57 119.18 1pul h LYS 52 Ca -0.09 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1pul h LYS 52 Cb 1.58 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.55 1pul h LYS 52 CO 0.17 -0.46 -0.21 -0.44 -2.27 0.00 0.00 179.45 176.25 1pul h ASP 53 N -0.71 0.00 -0.03 4.20 5.19 -0.81 -2.40 116.42 121.87 1pul h ASP 53 Ca -0.02 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.27 1pul h ASP 53 Cb 0.65 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 1pul h ASP 53 CO -0.07 0.21 -0.35 0.00 -3.12 0.00 0.00 179.24 175.91 1pul h ALA 54 N 1.79 0.95 0.00 3.45 0.00 -1.23 -3.47 119.26 120.74 1pul h ALA 54 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1pul h ALA 54 Cb 0.75 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1pul h ALA 54 CO 0.03 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.30 1pul n GLY 55 N -0.14 0.55 0.13 0.00 0.00 -0.83 -4.94 105.19 99.97 1pul n GLY 55 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 1pul n GLY 55 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pul h VAL 56 N 0.00 0.70 -1.56 1.61 2.07 -1.78 -3.43 116.25 113.86 1pul h VAL 56 Ca 0.00 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.48 1pul h VAL 56 Cb 0.00 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1pul h VAL 56 CO 0.00 0.40 0.00 -0.11 0.02 0.00 0.00 177.57 177.88 1pul n LEU 57 N -3.13 0.00 -4.58 2.57 7.94 -1.06 -4.82 117.00 113.93 1pul n LEU 57 Ca -0.00 0.00 -0.19 0.00 -1.11 0.00 0.00 56.01 54.71 1pul n LEU 57 Cb 0.73 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.59 1pul n LEU 57 CO 0.41 -0.32 1.24 -0.62 -1.11 0.00 0.00 177.39 176.98 1pul s ASP 58 N -1.03 4.02 0.08 1.96 2.15 -1.26 -4.70 116.67 117.90 1pul s ASP 58 Ca 0.00 -1.02 -0.16 0.00 0.43 0.00 0.00 52.55 51.80 1pul s ASP 58 Cb 0.00 -2.59 -0.11 0.00 -0.30 0.00 0.00 42.92 39.92 1pul s ASP 58 CO 0.00 -4.08 1.38 -1.13 -0.17 0.00 0.00 175.17 171.17 1pul h ASN 59 N 11.21 0.68 0.00 -0.34 -0.73 -1.87 -3.47 115.58 121.06 1pul h ASN 59 Ca 0.07 -0.50 0.00 0.00 1.87 0.00 0.00 56.30 57.74 1pul h ASN 59 Cb 0.98 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 39.38 1pul h ASN 59 CO 1.08 1.05 0.00 0.29 -0.37 0.00 0.00 177.43 179.48 1pul n LYS 60 N -4.30 0.00 -3.26 6.67 5.02 -1.26 -5.02 118.16 116.01 1pul n LYS 60 Ca -0.05 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.99 1pul n LYS 60 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.42 1pul n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pul n ALA 61 N -1.19 2.98 -2.70 7.82 0.00 -1.26 -5.08 120.51 121.08 1pul n ALA 61 Ca 0.00 -3.87 -0.38 0.00 0.00 0.00 0.00 53.44 49.19 1pul n ALA 61 Cb 0.00 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 1pul n ALA 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1pul s ILE 62 N -1.69 5.16 -0.23 0.00 1.01 -1.26 -4.98 121.20 119.20 1pul s ILE 62 Ca 0.37 0.97 -0.30 0.00 0.00 0.00 0.00 60.65 61.69 1pul s ILE 62 Cb 0.17 -3.83 -0.07 0.00 0.01 0.00 0.00 42.46 38.74 1pul s ILE 62 CO -0.08 0.28 2.20 0.35 0.00 0.00 0.00 174.94 177.69 1pul n THR 63 N 3.95 0.33 0.19 2.92 -2.24 -1.26 -4.85 114.28 113.33 1pul n THR 63 Ca -0.06 -0.40 0.05 0.00 -2.27 0.00 0.00 64.05 61.37 1pul n THR 63 Cb 0.51 -2.35 0.48 0.00 -2.10 0.00 0.00 70.33 66.87 1pul n THR 63 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1pul h GLY 64 N 14.19 0.09 1.38 3.38 0.00 -1.98 0.70 103.07 120.84 1pul h GLY 64 Ca -0.39 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1pul h GLY 64 CO 0.97 0.05 0.22 0.00 0.00 0.00 0.00 176.54 177.78 1pul h THR 65 N 0.08 1.20 0.09 4.70 1.03 -1.99 0.53 112.91 118.55 1pul h THR 65 Ca 0.02 -0.63 -0.21 0.00 -0.01 0.00 0.00 66.41 65.58 1pul h THR 65 Cb 0.30 0.55 -0.00 0.00 -1.07 0.00 0.00 68.15 67.93 1pul h THR 65 CO 0.02 0.25 -1.07 0.24 -0.01 0.00 0.00 175.52 174.95 1pul h MET 66 N 0.79 0.19 -0.62 0.00 2.07 -1.71 -3.26 114.93 112.38 1pul h MET 66 Ca 0.19 -0.32 0.00 0.00 -2.07 0.00 0.00 59.70 57.50 1pul h MET 66 Cb 0.16 0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 29.98 1pul h MET 66 CO -0.02 1.15 0.40 1.79 1.07 0.00 0.00 176.91 181.30 1pul h THR 67 N -0.51 1.17 -0.97 2.22 1.35 -0.89 -1.02 112.91 114.25 1pul h THR 67 Ca -0.23 -0.33 0.09 0.00 -0.55 0.00 0.00 66.41 65.39 1pul h THR 67 Cb 1.57 0.27 -0.07 0.00 -1.73 0.00 0.00 68.15 68.18 1pul h THR 67 CO 0.03 0.17 0.62 1.23 -0.25 0.00 0.00 175.52 177.33 1pul h GLY 68 N 0.87 1.50 1.00 5.82 0.00 -0.99 0.22 103.07 111.49 1pul h GLY 68 Ca 0.23 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1pul h GLY 68 CO -0.05 0.24 -0.08 -2.22 0.00 0.00 0.00 176.54 174.43 1pul h ILE 69 N 1.03 0.83 -0.81 2.60 2.04 -1.23 -1.43 117.51 120.55 1pul h ILE 69 Ca 0.45 -0.01 0.08 0.00 1.00 0.00 0.00 64.86 66.39 1pul h ILE 69 Cb 0.35 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 1pul h ILE 69 CO -0.21 0.00 0.47 0.00 0.00 0.00 0.00 178.15 178.41 1pul h ALA 70 N 0.60 1.13 -0.70 1.87 0.00 -1.10 -0.44 119.26 120.62 1pul h ALA 70 Ca -0.02 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1pul h ALA 70 Cb 0.18 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1pul h ALA 70 CO 0.04 0.12 0.44 0.35 0.00 0.00 0.00 179.25 180.20 1pul h PHE 71 N 0.81 0.82 0.00 0.00 3.57 -0.74 -0.63 116.94 120.77 1pul h PHE 71 Ca 0.38 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.83 1pul h PHE 71 Cb 0.30 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1pul h PHE 71 CO -0.06 0.47 -0.32 0.77 -2.23 0.00 0.00 178.31 176.94 1pul h SER 72 N 0.86 0.00 -0.06 0.41 0.02 -0.12 -1.06 113.55 113.61 1pul h SER 72 Ca 0.28 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.04 1pul h SER 72 Cb 0.02 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.58 1pul h SER 72 CO -0.11 0.32 -0.74 0.11 -1.14 0.00 0.00 176.83 175.27 1pul h LYS 73 N 0.00 0.60 0.40 3.45 1.79 -0.11 -3.35 116.57 119.35 1pul h LYS 73 Ca -0.00 -0.57 -0.02 0.00 -2.18 0.00 0.00 60.65 57.88 1pul h LYS 73 Cb 0.65 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1pul h LYS 73 CO 0.04 1.19 -0.19 -0.24 -1.08 0.00 0.00 179.45 179.17 1pul h VAL 74 N 0.22 0.29 0.00 0.50 3.04 -1.05 -3.48 116.25 115.77 1pul h VAL 74 Ca -0.08 -0.65 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 1pul h VAL 74 Cb 1.40 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 1pul h VAL 74 CO 0.15 0.06 0.00 1.07 -1.01 0.00 0.00 177.57 177.84 1pul n THR 75 N -5.15 0.00 0.14 3.17 5.66 -0.41 -4.69 114.28 113.00 1pul n THR 75 Ca -0.08 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.77 1pul n THR 75 Cb 0.27 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.97 1pul n THR 75 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1pul h GLY 76 N 0.00 -0.90 -5.71 1.09 0.00 -1.75 -3.40 103.07 92.40 1pul h GLY 76 Ca 0.00 0.51 -0.54 0.00 0.00 0.00 0.00 47.33 47.30 1pul h GLY 76 CO 0.00 -0.28 1.29 -1.55 0.00 0.00 0.00 176.54 176.00 1pul n PRO 77 N -5.47 2.68 0.09 4.80 -0.04 -1.26 -4.88 135.00 130.91 1pul n PRO 77 Ca -0.08 0.94 0.13 0.00 -0.04 0.00 0.00 63.50 64.45 1pul n PRO 77 Cb 0.39 -3.06 0.46 0.00 -0.04 0.00 0.00 33.50 31.24 1pul n PRO 77 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1pul n LYS 78 N 7.80 0.19 0.41 0.54 2.85 -1.26 -3.95 118.16 124.74 1pul n LYS 78 Ca 0.22 0.22 -0.16 0.00 -1.05 0.00 0.00 58.31 57.54 1pul n LYS 78 Cb 0.42 -1.75 -0.08 0.00 -0.65 0.00 0.00 35.03 32.97 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 -1.02 -1.86 -1.58 3.11 -1.92 -0.00 116.57 113.30 1pul h LYS 79 Ca 0.00 0.07 -0.02 0.00 -2.81 0.00 0.00 60.65 57.89 1pul h LYS 79 Cb 0.59 0.23 -0.21 0.00 -1.00 0.00 0.00 32.23 31.84 1pul h LYS 79 CO 0.00 -0.68 0.29 0.21 -2.81 0.00 0.00 179.45 176.46 1pul s LYS 80 N -5.20 0.89 0.00 1.90 2.20 -1.25 -4.06 119.74 114.21 1pul s LYS 80 Ca -0.15 0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 1pul s LYS 80 Cb 0.02 0.42 0.00 0.00 -1.51 0.00 0.00 37.83 36.76 1pul s LYS 80 CO 0.46 -0.25 0.00 0.00 -0.36 0.00 0.00 175.35 175.20 1pul n ALA 81 N 1.12 0.64 0.00 3.13 0.00 -1.26 -4.92 120.51 119.22 1pul n ALA 81 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1pul n ALA 81 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1pul n ALA 81 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1pul n THR 82 N -0.68 0.00 0.09 0.00 5.66 -1.26 -4.97 114.28 113.12 1pul n THR 82 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 1pul n THR 82 Cb 0.00 0.00 0.35 0.00 -1.55 0.00 0.00 70.33 69.13 1pul n THR 82 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 1pul h PHE 83 N 0.00 0.31 0.00 1.09 0.04 -1.99 -2.22 116.94 114.17 1pul h PHE 83 Ca 0.00 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1pul h PHE 83 Cb 0.00 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.06 1pul h PHE 83 CO 0.00 0.44 -0.05 -0.44 -0.60 0.00 0.00 178.31 177.66 1pul h ASP 84 N 0.27 0.00 0.00 2.17 3.32 -1.96 -3.34 116.42 116.88 1pul h ASP 84 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1pul h ASP 84 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1pul h ASP 84 CO 0.03 0.05 0.00 1.21 -1.72 0.00 0.00 179.24 178.81 1pul n GLU 85 N -4.20 0.00 -0.29 3.56 0.00 -0.83 0.46 120.64 119.34 1pul n GLU 85 Ca -0.03 0.81 -0.00 0.00 0.00 0.00 0.00 57.16 57.94 1pul n GLU 85 Cb 0.14 -1.36 0.19 0.00 0.00 0.00 0.00 31.44 30.41 1pul n GLU 85 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1pul h THR 86 N 0.00 1.22 -0.33 6.31 2.02 -1.78 -1.73 112.91 118.61 1pul h THR 86 Ca 0.00 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 66.79 1pul h THR 86 Cb 0.00 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.34 1pul h THR 86 CO 0.00 0.21 0.20 0.50 0.37 0.00 0.00 175.52 176.80 1pul h LYS 87 N 1.16 0.40 -0.07 6.66 3.64 -1.53 -2.35 116.57 124.48 1pul h LYS 87 Ca 0.32 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.63 1pul h LYS 87 Cb -0.13 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.60 1pul h LYS 87 CO -0.07 0.26 -0.12 0.87 -2.27 0.00 0.00 179.45 178.12 1pul h LYS 88 N 0.41 0.21 0.08 1.90 1.57 0.63 -2.61 116.57 118.76 1pul h LYS 88 Ca 0.13 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1pul h LYS 88 Cb -0.01 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1pul h LYS 88 CO -0.05 0.70 -0.18 0.28 -0.57 0.00 0.00 179.45 179.63 1pul h VAL 89 N -0.26 0.59 -0.85 0.50 2.07 -1.33 0.20 116.25 117.18 1pul h VAL 89 Ca 0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1pul h VAL 89 Cb 0.68 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1pul h VAL 89 CO 0.03 0.00 0.55 -0.07 0.02 0.00 0.00 177.57 178.10 1pul h LEU 90 N -0.33 0.94 0.00 2.57 3.38 -1.49 0.15 115.31 120.53 1pul h LEU 90 Ca 0.03 -0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.72 1pul h LEU 90 Cb 0.36 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 40.91 1pul h LEU 90 CO -0.11 0.66 -1.05 0.00 0.09 0.00 0.00 178.44 178.02 1pul h ALA 91 N 1.33 0.13 -0.03 1.53 0.00 -1.13 -2.62 119.26 118.47 1pul h ALA 91 Ca 0.33 -0.70 -0.20 0.00 0.00 0.00 0.00 54.91 54.34 1pul h ALA 91 Cb -0.05 0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1pul h ALA 91 CO -0.09 0.69 -0.75 0.74 0.00 0.00 0.00 179.25 179.84 1pul h PHE 92 N 0.39 0.81 -0.46 0.00 0.04 -0.42 -1.73 116.94 115.57 1pul h PHE 92 Ca -0.13 -0.42 0.00 0.00 2.80 0.00 0.00 57.97 60.22 1pul h PHE 92 Cb 1.71 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 39.74 1pul h PHE 92 CO 0.10 1.24 0.30 0.28 -0.60 0.00 0.00 178.31 179.63 1pul h VAL 93 N 0.15 1.13 -0.95 -0.55 2.07 -0.82 -0.91 116.25 116.37 1pul h VAL 93 Ca -0.08 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.21 1pul h VAL 93 Cb 1.42 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 1pul h VAL 93 CO 0.15 0.12 0.62 0.00 0.02 0.00 0.00 177.57 178.49 1pul h ALA 94 N 1.16 1.22 0.91 1.67 0.00 -1.50 0.10 119.26 122.81 1pul h ALA 94 Ca 0.17 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1pul h ALA 94 Cb -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.37 1pul h ALA 94 CO -0.04 0.56 -0.49 1.49 0.00 0.00 0.00 179.25 180.77 1pul h GLU 95 N 1.25 -1.24 -0.79 0.00 4.81 -0.49 0.06 114.58 118.18 1pul h GLU 95 Ca 0.36 0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.65 1pul h GLU 95 Cb -0.09 0.28 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1pul h GLU 95 CO -0.09 -0.83 0.39 -0.44 -0.73 0.00 0.00 179.01 177.31 1pul h ASP 96 N -1.29 1.01 -0.12 1.04 5.19 -1.14 0.30 116.42 121.42 1pul h ASP 96 Ca -0.12 -0.11 0.04 0.00 -0.62 0.00 0.00 57.03 56.22 1pul h ASP 96 Cb 1.01 -0.26 -0.04 0.00 0.18 0.00 0.00 39.33 40.22 1pul h ASP 96 CO 0.17 0.84 -0.13 0.03 -3.12 0.00 0.00 179.24 177.03 1pul h ARG 97 N 1.11 -0.16 -0.07 3.56 2.47 -0.88 -2.35 114.38 118.07 1pul h ARG 97 Ca 0.27 0.01 -0.06 0.00 -1.26 0.00 0.00 59.98 58.94 1pul h ARG 97 Cb 0.09 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1pul h ARG 97 CO -0.04 -0.11 -0.21 0.00 0.56 0.00 0.00 179.97 180.18 1pul h ALA 98 N 0.90 0.12 -0.76 0.04 0.00 -0.54 -2.84 119.26 116.18 1pul h ALA 98 Ca 0.09 -0.39 0.15 0.00 0.00 0.00 0.00 54.91 54.76 1pul h ALA 98 Cb 0.29 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1pul h ALA 98 CO -0.22 0.08 0.51 -0.09 0.00 0.00 0.00 179.25 179.53 1pul h ARG 99 N -0.23 0.40 0.03 0.00 2.43 -0.37 0.91 114.38 117.55 1pul h ARG 99 Ca -0.01 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.92 1pul h ARG 99 Cb 0.82 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1pul h ARG 99 CO 0.04 0.26 -1.03 0.37 -1.51 0.00 0.00 179.97 178.11 1pul h GLN 100 N 0.41 0.10 0.00 0.20 4.15 -1.44 -3.35 115.11 115.17 1pul h GLN 100 Ca 0.38 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.65 1pul h GLN 100 Cb 0.87 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.62 1pul h GLN 100 CO -0.12 1.03 0.00 0.43 -1.93 0.00 0.00 178.83 178.24 1pul n SER 101 N -3.46 0.00 0.06 -0.69 7.64 0.71 -4.83 113.62 113.06 1pul n SER 101 Ca -0.03 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.68 1pul n SER 101 Cb 0.93 -0.21 -0.14 0.00 -1.01 0.00 0.00 64.21 63.78 1pul n SER 101 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1pul h LYS 102 N 0.00 0.26 0.00 1.43 6.56 -0.67 -3.49 116.57 120.66 1pul h LYS 102 Ca 0.00 -0.45 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 1pul h LYS 102 Cb 0.00 0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 1pul h LYS 102 CO 0.00 1.12 0.00 1.63 -2.06 0.00 0.00 179.45 180.14 1pul n LYS 103 N -3.46 0.00 -1.88 3.15 5.02 0.28 -4.97 118.16 116.30 1pul n LYS 103 Ca -0.18 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.69 1pul n LYS 103 Cb 1.05 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 36.03 1pul n LYS 103 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1pul s PRO 104 N 0.00 3.93 0.21 1.97 0.02 -1.26 -3.72 135.00 136.15 1pul s PRO 104 Ca 0.00 2.16 -0.07 0.00 0.02 0.00 0.00 61.00 63.12 1pul s PRO 104 Cb 0.00 -4.10 0.16 0.00 0.02 0.00 0.00 34.50 30.57 1pul s PRO 104 CO 0.00 -1.16 1.68 -0.84 -0.33 0.00 0.00 177.00 176.35 1pul h ILE 105 N 5.95 1.26 -0.07 2.83 -0.00 -1.87 -2.88 117.51 122.73 1pul h ILE 105 Ca -0.41 -1.12 0.02 0.00 -0.00 0.00 0.00 64.86 63.35 1pul h ILE 105 Cb 1.20 0.83 -0.00 0.00 -0.00 0.00 0.00 36.82 38.84 1pul h ILE 105 CO 0.96 0.40 0.06 1.56 -0.00 0.00 0.00 178.15 181.14 1pul h GLN 106 N 0.90 0.00 -0.47 0.16 1.08 -1.90 -1.94 115.11 112.94 1pul h GLN 106 Ca 0.16 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.32 1pul h GLN 106 Cb 0.53 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 1pul h GLN 106 CO 0.03 0.00 0.12 0.22 -0.95 0.00 0.00 178.83 178.25 1pul h ASP 107 N 0.00 0.65 -0.30 1.46 3.58 -1.90 0.17 116.42 120.08 1pul h ASP 107 Ca 0.03 -0.10 -0.16 0.00 0.42 0.00 0.00 57.03 57.22 1pul h ASP 107 Cb 0.16 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.04 1pul h ASP 107 CO -0.00 0.64 -0.45 -0.33 -2.88 0.00 0.00 179.24 176.22 1pul h GLU 108 N 0.68 0.84 -0.79 0.28 4.39 -1.51 0.14 114.58 118.61 1pul h GLU 108 Ca 0.16 -0.50 -0.05 0.00 0.34 0.00 0.00 59.36 59.31 1pul h GLU 108 Cb 0.25 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 1pul h GLU 108 CO -0.00 1.13 0.30 1.25 -1.16 0.00 0.00 179.01 180.53 1pul h LEU 109 N 0.62 1.10 -0.15 1.33 5.85 -1.44 0.10 115.31 122.72 1pul h LEU 109 Ca 0.03 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.59 1pul h LEU 109 Cb 1.05 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1pul h LEU 109 CO 0.10 0.98 0.01 -0.78 -0.34 0.00 0.00 178.44 178.42 1pul h ASP 110 N 1.15 -0.03 -0.60 1.25 3.58 -0.46 0.14 116.42 121.45 1pul h ASP 110 Ca 0.26 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.78 1pul h ASP 110 Cb 0.24 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 1pul h ASP 110 CO -0.02 0.01 0.35 0.00 -2.88 0.00 0.00 179.24 176.69 1pul h ALA 111 N 1.12 0.78 0.37 -0.78 0.00 -0.21 0.32 119.26 120.86 1pul h ALA 111 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1pul h ALA 111 Cb 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1pul h ALA 111 CO -0.11 0.05 -0.23 0.82 0.00 0.00 0.00 179.25 179.79 1pul h ILE 112 N 0.67 0.53 -0.73 0.00 2.04 -0.42 0.14 117.51 119.74 1pul h ILE 112 Ca 0.25 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.11 1pul h ILE 112 Cb 0.09 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1pul h ILE 112 CO -0.14 0.00 0.44 0.74 0.00 0.00 0.00 178.15 179.19 1pul h THR 113 N -0.57 1.21 -0.36 -0.27 2.02 -0.38 -0.55 112.91 114.00 1pul h THR 113 Ca -0.04 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 1pul h THR 113 Cb 0.47 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1pul h THR 113 CO 0.04 0.22 0.08 -0.08 0.37 0.00 0.00 175.52 176.14 1pul h GLU 114 N 0.99 0.59 -0.52 6.66 4.22 -0.28 -1.95 114.58 124.30 1pul h GLU 114 Ca 0.26 -0.15 -0.01 0.00 0.08 0.00 0.00 59.36 59.54 1pul h GLU 114 Cb -0.03 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1pul h GLU 114 CO -0.05 0.64 0.27 0.87 -2.18 0.00 0.00 179.01 178.57 1pul h LYS 115 N 0.44 0.74 -0.58 1.92 6.56 -0.27 -2.36 116.57 123.03 1pul h LYS 115 Ca 0.11 -0.10 -0.06 0.00 -1.06 0.00 0.00 60.65 59.55 1pul h LYS 115 Cb 0.33 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.82 1pul h LYS 115 CO 0.00 0.60 0.14 -0.07 -2.06 0.00 0.00 179.45 178.06 1pul h LEU 116 N 0.70 0.88 -1.12 2.94 3.38 -1.04 0.87 115.31 121.93 1pul h LEU 116 Ca 0.18 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1pul h LEU 116 Cb 0.08 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1pul h LEU 116 CO -0.03 0.89 0.57 0.00 0.09 0.00 0.00 178.44 179.97 1pul h ALA 117 N 1.03 1.36 0.00 1.53 0.00 -1.13 -1.65 119.26 120.40 1pul h ALA 117 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1pul h ALA 117 Cb 0.35 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1pul h ALA 117 CO 0.00 0.59 -0.51 0.36 0.00 0.00 0.00 179.25 179.69 1pul n LYS 118 N -4.39 0.14 -0.05 0.00 2.85 -0.91 -4.37 118.16 111.44 1pul n LYS 118 Ca 0.10 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 1pul n LYS 118 Cb 0.03 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 32.82 1pul n LYS 118 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1pul n LEU 119 N -1.80 1.59 0.00 -5.58 7.94 0.28 -5.08 117.00 114.34 1pul n LEU 119 Ca 0.05 -0.77 0.00 0.00 -1.11 0.00 0.00 56.01 54.18 1pul n LEU 119 Cb 0.39 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 44.05 1pul n LEU 119 CO 0.35 0.28 0.00 -0.62 -1.11 0.00 0.00 177.39 176.28