#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kud n THR 57 N 0.00 0.00 -3.71 5.53 5.66 -1.25 -2.55 114.28 117.97 3kud n THR 57 Ca 0.00 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.84 3kud n THR 57 Cb 0.00 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.63 3kud n THR 57 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3kud s ILE 58 N -1.04 -0.15 -0.92 1.09 1.01 0.15 -3.67 121.20 117.67 3kud s ILE 58 Ca 0.00 0.29 -0.17 0.00 0.00 0.00 0.00 60.65 60.77 3kud s ILE 58 Cb 0.00 -0.24 0.17 0.00 0.01 0.00 0.00 42.46 42.40 3kud s ILE 58 CO 0.00 0.12 1.03 -0.60 0.00 0.00 0.00 174.94 175.49 3kud s ARG 59 N 1.76 3.65 -0.26 2.79 3.00 -1.22 0.18 118.95 128.85 3kud s ARG 59 Ca -0.02 -2.08 -0.19 0.00 -1.00 0.00 0.00 55.73 52.44 3kud s ARG 59 Cb -0.12 -4.76 -0.02 0.00 0.00 0.00 0.00 34.95 30.05 3kud s ARG 59 CO -0.05 -1.60 0.56 0.08 0.00 0.00 0.00 175.30 174.29 3kud s VAL 60 N 1.69 5.03 -0.12 7.11 1.01 -0.05 -2.20 120.40 132.86 3kud s VAL 60 Ca 0.29 0.96 -0.29 0.00 0.00 0.00 0.00 61.98 62.93 3kud s VAL 60 Cb -0.06 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 3kud s VAL 60 CO -0.09 0.04 1.08 -0.36 0.00 0.00 0.00 175.10 175.77 3kud s PHE 61 N 2.40 3.36 0.73 5.22 2.99 0.61 -1.67 117.98 131.61 3kud s PHE 61 Ca 0.23 1.44 -0.02 0.00 0.00 0.00 0.00 56.93 58.59 3kud s PHE 61 Cb -0.16 -3.28 0.13 0.00 0.00 0.00 0.00 43.02 39.71 3kud s PHE 61 CO 0.09 -0.63 1.01 -0.51 -0.00 0.00 0.00 175.22 175.18 3kud s LEU 62 N 2.38 2.97 0.34 -0.37 1.43 1.26 -0.55 118.68 126.14 3kud s LEU 62 Ca 0.50 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 53.02 3kud s LEU 62 Cb -0.19 -2.05 -0.11 0.00 0.03 0.00 0.00 46.19 43.86 3kud s LEU 62 CO 0.16 -1.89 1.47 -2.84 0.23 0.00 0.00 176.35 173.49 3kud s PRO 63 N -5.18 4.18 0.00 1.29 0.02 -1.22 -4.01 135.00 130.08 3kud s PRO 63 Ca 0.66 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.16 3kud s PRO 63 Cb -0.05 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.45 3kud s PRO 63 CO 0.45 -0.48 0.00 0.09 -0.33 0.00 0.00 177.00 176.73 3kud n ASN 64 N 1.08 0.00 0.00 2.53 5.03 -1.26 -3.99 115.26 118.65 3kud n ASN 64 Ca 0.03 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.48 3kud n ASN 64 Cb 0.39 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.15 3kud n ASN 64 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3kud n LYS 65 N -2.00 0.00 -4.44 3.52 4.01 -1.26 -5.11 118.16 112.89 3kud n LYS 65 Ca 0.00 0.00 -0.31 0.00 -0.51 0.00 0.00 58.31 57.49 3kud n LYS 65 Cb 0.00 0.00 -0.16 0.00 -0.51 0.00 0.00 35.03 34.36 3kud n LYS 65 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 3kud s GLN 66 N 0.08 2.68 -0.09 1.97 -0.21 -1.26 -5.00 119.66 117.84 3kud s GLN 66 Ca 0.00 -0.72 -0.08 0.00 0.02 0.00 0.00 55.36 54.57 3kud s GLN 66 Cb 0.00 -2.25 -0.04 0.00 1.00 0.00 0.00 33.01 31.72 3kud s GLN 66 CO 0.00 -0.09 0.19 0.50 -2.12 0.00 0.00 175.29 173.77 3kud s ARG 67 N 1.03 3.53 0.01 2.91 3.00 -1.26 0.39 118.95 128.55 3kud s ARG 67 Ca -0.03 -0.04 0.01 0.00 -1.00 0.00 0.00 55.73 54.67 3kud s ARG 67 Cb -0.15 -3.19 -0.01 0.00 0.00 0.00 0.00 34.95 31.61 3kud s ARG 67 CO -0.05 0.76 -0.05 -0.08 0.00 0.00 0.00 175.30 175.88 3kud s THR 68 N -1.06 0.35 -0.10 4.11 -1.32 -0.67 -4.91 115.64 112.03 3kud s THR 68 Ca 0.17 -0.43 -0.02 0.00 -1.21 0.00 0.00 61.69 60.21 3kud s THR 68 Cb -0.13 -0.35 -0.03 0.00 -1.51 0.00 0.00 72.50 70.49 3kud s THR 68 CO 0.07 -0.06 -0.03 -0.69 -2.21 0.00 0.00 174.62 171.70 3kud s VAL 69 N -0.48 4.05 -0.20 5.08 1.01 -1.26 -0.87 120.40 127.73 3kud s VAL 69 Ca -0.02 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3kud s VAL 69 Cb -0.04 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.65 3kud s VAL 69 CO -0.00 0.57 -0.18 0.68 0.00 0.00 0.00 175.10 176.17 3kud s VAL 70 N -0.51 2.11 0.10 2.92 -7.23 0.47 -4.90 120.40 113.35 3kud s VAL 70 Ca 0.08 -1.06 -0.31 0.00 -1.81 0.00 0.00 61.98 58.89 3kud s VAL 70 Cb -0.12 -1.95 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 3kud s VAL 70 CO 0.02 0.44 1.72 0.21 -0.31 0.00 0.00 175.10 177.18 3kud s ASN 71 N 1.26 6.53 -0.33 4.85 3.04 -1.26 0.33 114.94 129.35 3kud s ASN 71 Ca 0.03 2.61 -0.12 0.00 0.04 0.00 0.00 52.86 55.41 3kud s ASN 71 Cb -0.14 -2.57 -0.02 0.00 -1.54 0.00 0.00 41.25 36.98 3kud s ASN 71 CO -0.11 -0.93 0.23 -0.69 -3.04 0.00 0.00 177.10 172.55 3kud s VAL 72 N 2.63 5.25 0.00 -5.21 1.01 -1.05 -4.94 120.40 118.08 3kud s VAL 72 Ca 0.77 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.56 3kud s VAL 72 Cb -0.43 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.28 3kud s VAL 72 CO 0.34 0.02 0.00 0.54 0.00 0.00 0.00 175.10 176.00 3kud n ARG 73 N 5.09 3.53 -4.11 2.72 1.74 -1.26 -4.90 116.66 119.48 3kud n ARG 73 Ca -0.13 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.81 3kud n ARG 73 Cb 0.50 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.83 3kud n ARG 73 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3kud s ASN 74 N -1.00 1.10 0.00 0.55 0.02 -1.26 -4.67 114.94 109.68 3kud s ASN 74 Ca 0.00 -0.65 0.00 0.00 -1.02 0.00 0.00 52.86 51.19 3kud s ASN 74 Cb 0.00 0.03 0.00 0.00 0.02 0.00 0.00 41.25 41.30 3kud s ASN 74 CO 0.00 -0.22 0.00 0.61 0.02 0.00 0.00 177.10 177.51 3kud n GLY 75 N 1.14 3.11 3.70 0.66 0.00 -1.26 -5.06 105.19 107.48 3kud n GLY 75 Ca -0.20 -0.87 -0.44 0.00 0.00 0.00 0.00 46.02 44.51 3kud n GLY 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kud n MET 76 N 0.00 2.46 0.00 1.61 2.81 -1.26 -4.95 117.12 117.79 3kud n MET 76 Ca 0.00 0.88 0.00 0.00 -1.81 0.00 0.00 57.70 56.77 3kud n MET 76 Cb 0.00 -2.66 0.00 0.00 -0.71 0.00 0.00 33.22 29.85 3kud n MET 76 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3kud n SER 77 N 3.10 -0.17 0.00 7.83 3.41 -1.26 -2.58 113.62 123.95 3kud n SER 77 Ca 0.14 -0.27 0.11 0.00 -0.26 0.00 0.00 58.87 58.59 3kud n SER 77 Cb 0.33 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.17 3kud n SER 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kud n LEU 78 N 0.00 0.54 0.10 1.04 -0.00 -0.82 -2.99 117.00 114.87 3kud n LEU 78 Ca 0.00 -0.20 -0.12 0.00 -0.00 0.00 0.00 56.01 55.69 3kud n LEU 78 Cb 0.00 -0.02 -0.06 0.00 -0.00 0.00 0.00 43.42 43.34 3kud n LEU 78 CO 0.00 0.11 0.77 -0.74 -0.00 0.00 0.00 177.39 177.53 3kud h HIS 79 N 0.00 -0.38 -0.13 1.47 2.76 -1.72 -2.00 115.15 115.15 3kud h HIS 79 Ca 0.00 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 3kud h HIS 79 Cb 0.74 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.85 3kud h HIS 79 CO 0.00 -0.22 0.06 -0.44 -1.30 0.00 0.00 177.93 176.03 3kud h ASP 80 N -0.29 0.18 0.89 3.26 3.32 -1.86 0.12 116.42 122.04 3kud h ASP 80 Ca 0.02 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3kud h ASP 80 Cb 0.30 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3kud h ASP 80 CO -0.07 0.29 0.00 0.00 -1.72 0.00 0.00 179.24 177.73 3kud n LEU 82 N -2.22 0.00 -0.22 0.00 4.32 -0.75 -4.70 117.00 113.44 3kud n LEU 82 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.02 3kud n LEU 82 Cb 0.27 0.01 0.23 0.00 -1.62 0.00 0.00 43.42 42.31 3kud n LEU 82 CO 0.22 0.01 1.22 -0.03 -1.22 0.00 0.00 177.39 177.59 3kud h MET 83 N 0.00 1.00 -0.51 3.23 4.05 -0.89 0.28 114.93 122.09 3kud h MET 83 Ca -0.01 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 59.27 3kud h MET 83 Cb 0.42 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 3kud h MET 83 CO 0.00 0.68 0.01 -0.22 0.23 0.00 0.00 176.91 177.61 3kud h LYS 84 N 1.03 0.86 -0.03 0.39 3.64 -1.81 -2.27 116.57 118.37 3kud h LYS 84 Ca 0.27 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3kud h LYS 84 Cb -0.09 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.63 3kud h LYS 84 CO -0.06 0.85 0.01 0.87 -2.27 0.00 0.00 179.45 178.86 3kud h LYS 85 N 0.80 0.05 0.29 1.90 1.79 -0.78 -3.12 116.57 117.51 3kud h LYS 85 Ca 0.15 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 3kud h LYS 85 Cb 0.47 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3kud h LYS 85 CO 0.02 0.19 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.36 3kud h LEU 86 N -0.10 -0.33 -2.10 2.94 4.07 -1.28 -3.23 115.31 115.27 3kud h LEU 86 Ca 0.01 -0.19 0.07 0.00 0.08 0.00 0.00 57.88 57.85 3kud h LEU 86 Cb 0.15 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 3kud h LEU 86 CO -0.00 0.04 0.20 0.11 -1.08 0.00 0.00 178.44 177.71 3kud h LYS 87 N -0.76 0.00 -0.50 1.13 1.57 -1.43 0.17 116.57 116.75 3kud h LYS 87 Ca -0.04 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 3kud h LYS 87 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 3kud h LYS 87 CO 0.07 0.00 -0.17 -0.39 -0.57 0.00 0.00 179.45 178.39 3kud h VAL 88 N 0.00 1.27 0.00 0.50 -1.51 -1.64 -3.07 116.25 111.80 3kud h VAL 88 Ca 0.11 -1.33 0.00 0.00 -1.23 0.00 0.00 66.70 64.26 3kud h VAL 88 Cb 0.51 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 3kud h VAL 88 CO -0.00 0.46 0.00 0.54 -1.23 0.00 0.00 177.57 177.34 3kud n ARG 89 N -4.12 0.70 -0.80 5.19 3.00 0.57 -4.87 116.66 116.33 3kud n ARG 89 Ca 0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 57.85 57.81 3kud n ARG 89 Cb 0.43 -1.15 -0.02 0.00 0.00 0.00 0.00 32.46 31.72 3kud n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kud n GLY 90 N 0.64 0.38 3.97 -0.13 0.00 -1.16 -4.93 105.19 103.95 3kud n GLY 90 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3kud n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kud s LEU 91 N -1.34 4.19 -0.22 0.99 1.43 -1.10 -4.99 118.68 117.65 3kud s LEU 91 Ca 0.00 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 3kud s LEU 91 Cb 0.00 -2.80 0.03 0.00 0.03 0.00 0.00 46.19 43.46 3kud s LEU 91 CO 0.00 -0.17 -0.15 -1.10 0.23 0.00 0.00 176.35 175.16 3kud s GLN 92 N -4.02 2.73 0.32 1.70 1.11 -1.26 -3.45 119.66 116.79 3kud s GLN 92 Ca 0.37 -1.02 0.10 0.00 0.01 0.00 0.00 55.36 54.82 3kud s GLN 92 Cb -0.09 -2.73 0.94 0.00 -1.01 0.00 0.00 33.01 30.11 3kud s GLN 92 CO 0.29 -0.35 1.67 -1.00 0.01 0.00 0.00 175.29 175.91 3kud h PRO 93 N 7.89 0.34 -0.59 2.91 0.13 -1.94 0.26 132.00 140.99 3kud h PRO 93 Ca -0.35 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3kud h PRO 93 Cb 1.10 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3kud h PRO 93 CO 0.57 0.22 0.00 -0.85 -0.23 0.00 0.00 178.00 177.71 3kud n GLU 94 N -5.07 2.81 0.00 0.86 0.28 -1.26 -3.41 120.64 114.85 3kud n GLU 94 Ca 0.28 -2.01 0.12 0.00 -0.16 0.00 0.00 57.16 55.39 3kud n GLU 94 Cb 0.85 -1.65 0.12 0.00 1.43 0.00 0.00 31.44 32.19 3kud n GLU 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kud s ALA 97 N -3.78 2.34 0.01 0.00 0.00 0.18 -4.56 121.76 115.95 3kud s ALA 97 Ca 0.09 -1.48 0.07 0.00 0.00 0.00 0.00 51.96 50.65 3kud s ALA 97 Cb 0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 3kud s ALA 97 CO -0.07 0.50 -0.21 0.54 0.00 0.00 0.00 175.76 176.51 3kud s VAL 98 N -1.18 1.68 0.01 0.00 0.11 -1.26 -0.20 120.40 119.57 3kud s VAL 98 Ca 0.14 -1.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 3kud s VAL 98 Cb -0.10 -1.42 -0.01 0.00 -1.53 0.00 0.00 36.38 33.32 3kud s VAL 98 CO 0.06 0.38 -0.02 0.72 -3.33 0.00 0.00 175.10 172.91 3kud s PHE 99 N -0.60 0.20 -0.17 1.54 -0.12 -0.70 -1.63 117.98 116.49 3kud s PHE 99 Ca 0.08 -0.35 -0.23 0.00 -0.05 0.00 0.00 56.93 56.38 3kud s PHE 99 Cb -0.08 -0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.14 3kud s PHE 99 CO 0.00 -0.12 0.70 1.03 -0.05 0.00 0.00 175.22 176.78 3kud s ARG 100 N -0.98 4.26 -0.23 1.99 0.52 0.61 -1.79 118.95 123.33 3kud s ARG 100 Ca -0.10 0.78 -0.17 0.00 -0.52 0.00 0.00 55.73 55.71 3kud s ARG 100 Cb -0.07 -3.56 -0.03 0.00 0.52 0.00 0.00 34.95 31.81 3kud s ARG 100 CO -0.01 -0.24 0.47 -0.51 0.02 0.00 0.00 175.30 175.04 3kud s LEU 101 N 1.87 4.10 -0.20 2.53 1.43 -0.41 0.99 118.68 128.99 3kud s LEU 101 Ca 0.33 0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.97 3kud s LEU 101 Cb -0.16 -2.61 0.04 0.00 0.03 0.00 0.00 46.19 43.49 3kud s LEU 101 CO 0.12 -0.20 -0.10 -0.76 0.23 0.00 0.00 176.35 175.64 3kud s LEU 102 N 1.87 2.34 -0.58 1.79 1.43 0.87 -4.75 118.68 121.64 3kud s LEU 102 Ca 0.21 -0.93 -0.02 0.00 -1.03 0.00 0.00 54.13 52.36 3kud s LEU 102 Cb -0.15 -1.24 0.30 0.00 0.03 0.00 0.00 46.19 45.13 3kud s LEU 102 CO 0.09 -0.15 2.17 1.41 0.23 0.00 0.00 176.35 180.10 3kud n HIS 103 N 4.68 2.45 -2.99 0.29 -0.00 -1.26 -0.22 115.22 118.17 3kud n HIS 103 Ca -0.14 -2.41 -0.34 0.00 -0.00 0.00 0.00 57.72 54.82 3kud n HIS 103 Cb 0.46 -1.26 -0.02 0.00 -0.00 0.00 0.00 29.99 29.17 3kud n HIS 103 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3kud n GLU 104 N -0.19 3.91 0.00 -0.41 1.02 -1.26 -3.78 120.64 119.93 3kud n GLU 104 Ca 0.50 -4.71 0.00 0.00 -0.02 0.00 0.00 57.16 52.93 3kud n GLU 104 Cb 0.53 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.58 3kud n GLU 104 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3kud n HIS 105 N 0.38 0.00 -2.12 -0.32 8.25 -1.26 -5.01 115.22 115.14 3kud n HIS 105 Ca 0.34 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.78 3kud n HIS 105 Cb 0.35 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.46 3kud n HIS 105 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3kud n LYS 106 N 0.00 -0.84 -1.58 -0.41 4.76 -1.25 -4.80 118.16 114.05 3kud n LYS 106 Ca 0.00 1.09 0.00 0.00 -2.87 0.00 0.00 58.31 56.53 3kud n LYS 106 Cb 0.00 -3.31 0.00 0.00 -1.84 0.00 0.00 35.03 29.88 3kud n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kud n GLY 107 N -0.79 0.81 3.33 0.72 0.00 -1.24 -4.96 105.19 103.05 3kud n GLY 107 Ca 0.03 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 3kud n GLY 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kud s LYS 108 N -3.06 2.21 -0.24 1.61 2.20 0.69 -4.94 119.74 118.21 3kud s LYS 108 Ca 0.00 -0.89 -0.10 0.00 -0.36 0.00 0.00 55.97 54.62 3kud s LYS 108 Cb 0.00 -2.10 -0.05 0.00 -1.51 0.00 0.00 37.83 34.17 3kud s LYS 108 CO 0.00 0.55 0.14 0.15 -0.36 0.00 0.00 175.35 175.84 3kud s LYS 109 N -0.59 3.98 -0.45 4.03 1.02 -1.26 -0.09 119.74 126.37 3kud s LYS 109 Ca 0.09 -0.32 -0.21 0.00 0.02 0.00 0.00 55.97 55.55 3kud s LYS 109 Cb -0.10 -3.50 0.03 0.00 -0.52 0.00 0.00 37.83 33.74 3kud s LYS 109 CO -0.00 0.00 0.69 0.00 -0.92 0.00 0.00 175.35 175.12 3kud s ALA 110 N 1.19 3.33 0.29 5.17 0.00 0.28 -4.92 121.76 127.10 3kud s ALA 110 Ca 0.07 -1.21 -0.29 0.00 0.00 0.00 0.00 51.96 50.53 3kud s ALA 110 Cb -0.14 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 3kud s ALA 110 CO 0.05 -1.87 1.20 0.50 0.00 0.00 0.00 175.76 175.64 3kud s ARG 111 N 2.97 4.51 -0.07 0.00 6.06 -1.26 0.22 118.95 131.39 3kud s ARG 111 Ca 0.24 1.98 0.00 0.00 -2.50 0.00 0.00 55.73 55.46 3kud s ARG 111 Cb -0.14 -3.14 -0.03 0.00 0.06 0.00 0.00 34.95 31.70 3kud s ARG 111 CO 0.19 0.02 -0.06 -0.51 -2.50 0.00 0.00 175.30 172.44 3kud s LEU 112 N -1.47 3.22 0.37 -0.88 2.01 -0.64 -4.90 118.68 116.39 3kud s LEU 112 Ca 0.47 0.00 -0.23 0.00 0.01 0.00 0.00 54.13 54.38 3kud s LEU 112 Cb -0.35 -1.71 -0.10 0.00 0.01 0.00 0.00 46.19 44.04 3kud s LEU 112 CO 0.45 0.36 0.94 -0.62 1.01 0.00 0.00 176.35 178.50 3kud s ASP 113 N -0.81 7.14 0.57 2.29 -1.08 -1.26 -4.56 116.67 118.96 3kud s ASP 113 Ca 0.12 1.75 0.38 0.00 -0.52 0.00 0.00 52.55 54.28 3kud s ASP 113 Cb -0.11 -2.55 1.89 0.00 -1.46 0.00 0.00 42.92 40.68 3kud s ASP 113 CO 0.02 -0.20 2.14 -0.50 0.52 0.00 0.00 175.17 177.15 3kud h TRP 114 N 2.60 0.00 -0.71 -5.34 4.06 -1.96 -2.35 115.95 112.25 3kud h TRP 114 Ca -0.48 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.47 3kud h TRP 114 Cb 1.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 3kud h TRP 114 CO 0.62 0.00 0.00 0.09 -3.56 0.00 0.00 178.44 175.59 3kud n ASN 115 N -2.94 3.84 -4.76 -3.49 5.03 -1.26 -2.16 115.26 109.52 3kud n ASN 115 Ca -0.01 -2.03 -0.39 0.00 0.87 0.00 0.00 54.58 53.02 3kud n ASN 115 Cb 0.15 -0.48 0.01 0.00 -1.02 0.00 0.00 39.78 38.44 3kud n ASN 115 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3kud s THR 116 N -1.10 2.50 0.75 3.41 2.01 -0.89 -4.77 115.64 117.55 3kud s THR 116 Ca 0.48 0.42 -0.17 0.00 0.31 0.00 0.00 61.69 62.73 3kud s THR 116 Cb 0.25 -3.24 -0.13 0.00 0.01 0.00 0.00 72.50 69.39 3kud s THR 116 CO 0.32 0.04 -0.31 -0.67 -0.69 0.00 0.00 174.62 173.31 3kud n ASP 117 N -0.22 -4.28 -0.07 3.53 -0.08 -1.26 -1.94 116.55 112.23 3kud n ASP 117 Ca 0.06 0.44 -0.07 0.00 -1.51 0.00 0.00 54.79 53.71 3kud n ASP 117 Cb 0.44 -0.87 -0.03 0.00 2.34 0.00 0.00 41.12 43.00 3kud n ASP 117 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3kud h ALA 118 N -0.51 0.04 -0.94 -1.67 0.00 -1.68 -3.40 119.26 111.11 3kud h ALA 118 Ca -0.43 -0.53 0.14 0.00 0.00 0.00 0.00 54.91 54.09 3kud h ALA 118 Cb 1.37 0.45 -0.15 0.00 0.00 0.00 0.00 17.79 19.46 3kud h ALA 118 CO 0.34 0.44 -0.40 0.00 0.00 0.00 0.00 179.25 179.63 3kud h ALA 119 N -0.90 0.06 0.00 0.00 0.00 -1.86 -1.99 119.26 114.57 3kud h ALA 119 Ca -0.05 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kud h ALA 119 Cb 0.56 1.02 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3kud h ALA 119 CO -0.03 -0.67 0.00 -1.13 0.00 0.00 0.00 179.25 177.42 3kud n SER 120 N -5.45 0.00 0.00 0.00 3.41 -1.26 -0.71 113.62 109.61 3kud n SER 120 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 3kud n SER 120 Cb 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 3kud n SER 120 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kud n LEU 121 N 0.32 0.00 -1.38 1.04 4.77 -0.75 -5.00 117.00 116.00 3kud n LEU 121 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kud n LEU 121 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3kud n LEU 121 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.39 175.68 3kud n ILE 122 N -0.60 0.00 -1.10 -0.08 5.41 0.11 -1.55 119.36 121.55 3kud n ILE 122 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3kud n ILE 122 Cb 0.01 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.94 3kud n ILE 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kud n GLY 123 N 0.45 0.55 0.00 7.39 0.00 -1.24 -3.62 105.19 108.72 3kud n GLY 123 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kud n GLY 123 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kud n GLU 124 N 0.00 3.86 -3.71 1.61 -0.58 -0.59 -5.07 120.64 116.15 3kud n GLU 124 Ca 0.00 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.55 3kud n GLU 124 Cb 0.26 0.00 -0.17 0.00 -0.57 0.00 0.00 31.44 30.96 3kud n GLU 124 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3kud s GLU 125 N 1.36 0.01 0.33 3.49 2.12 -1.26 -3.39 118.70 121.35 3kud s GLU 125 Ca 0.00 0.30 0.09 0.00 0.36 0.00 0.00 54.97 55.72 3kud s GLU 125 Cb 0.00 -0.50 -0.05 0.00 0.26 0.00 0.00 34.13 33.84 3kud s GLU 125 CO 0.00 -0.28 -0.01 -0.51 -0.54 0.00 0.00 175.26 173.91 3kud s LEU 126 N 1.87 2.96 -0.05 2.70 1.43 -0.94 -1.29 118.68 125.36 3kud s LEU 126 Ca 0.01 -0.96 -0.12 0.00 -1.03 0.00 0.00 54.13 52.03 3kud s LEU 126 Cb -0.12 -1.36 0.02 0.00 0.03 0.00 0.00 46.19 44.76 3kud s LEU 126 CO -0.03 -0.18 0.29 -1.58 0.23 0.00 0.00 176.35 175.07 3kud s GLN 127 N -3.69 0.53 -0.01 1.70 0.74 -0.74 0.22 119.66 118.41 3kud s GLN 127 Ca 0.34 0.01 0.08 0.00 0.05 0.00 0.00 55.36 55.84 3kud s GLN 127 Cb -0.01 0.24 -0.02 0.00 1.10 0.00 0.00 33.01 34.32 3kud s GLN 127 CO 0.19 -0.12 -0.26 0.08 -0.55 0.00 0.00 175.29 174.63 3kud s VAL 128 N -0.78 2.11 -0.16 1.34 1.01 0.29 -1.72 120.40 122.49 3kud s VAL 128 Ca -0.09 -1.14 -0.07 0.00 0.00 0.00 0.00 61.98 60.69 3kud s VAL 128 Cb -0.04 -1.74 0.07 0.00 0.00 0.00 0.00 36.38 34.67 3kud s VAL 128 CO 0.02 0.55 0.35 -1.81 0.00 0.00 0.00 175.10 174.22 3kud s ASP 129 N -0.71 -0.12 -0.13 3.32 1.01 0.73 -3.45 116.67 117.31 3kud s ASP 129 Ca 0.10 0.81 -0.25 0.00 0.71 0.00 0.00 52.55 53.92 3kud s ASP 129 Cb -0.10 0.95 -0.11 0.00 1.01 0.00 0.00 42.92 44.66 3kud s ASP 129 CO -0.00 -0.22 0.75 0.49 0.21 0.00 0.00 175.17 176.40 3kud n PHE 130 N 5.05 0.66 1.55 4.23 3.72 -1.26 0.47 117.46 131.88 3kud n PHE 130 Ca -0.12 0.63 0.12 0.00 -0.05 0.00 0.00 57.45 58.03 3kud n PHE 130 Cb 0.51 -1.24 0.74 0.00 -0.94 0.00 0.00 39.48 38.55 3kud n PHE 130 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 176.76 178.18