#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3klq n SER 3 N 0.00 3.36 -4.40 -1.12 7.64 -1.26 -5.00 113.62 112.84 3klq n SER 3 Ca 0.00 1.19 -0.29 0.00 1.01 0.00 0.00 58.87 60.78 3klq n SER 3 Cb 0.00 -1.55 -0.13 0.00 -1.01 0.00 0.00 64.21 61.52 3klq n SER 3 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3klq s THR 4 N -0.68 2.33 0.07 0.44 -4.23 -1.26 -4.53 115.64 107.77 3klq s THR 4 Ca 0.59 -1.71 0.04 0.00 -1.18 0.00 0.00 61.69 59.42 3klq s THR 4 Cb -0.53 -2.03 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 3klq s THR 4 CO 0.58 0.11 -0.11 0.54 -0.54 0.00 0.00 174.62 175.20 3klq s VAL 5 N -1.06 0.84 0.07 2.29 0.11 -0.56 -4.95 120.40 117.14 3klq s VAL 5 Ca 0.14 -1.31 -0.01 0.00 -2.93 0.00 0.00 61.98 57.87 3klq s VAL 5 Cb -0.10 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.74 3klq s VAL 5 CO 0.06 -0.38 -0.01 0.00 -3.33 0.00 0.00 175.10 171.45 3klq s GLN 6 N -1.97 0.70 0.03 1.54 -2.07 -1.26 -0.44 119.66 116.19 3klq s GLN 6 Ca -0.03 -1.28 -0.03 0.00 -1.82 0.00 0.00 55.36 52.20 3klq s GLN 6 Cb -0.08 0.22 -0.02 0.00 -1.09 0.00 0.00 33.01 32.04 3klq s GLN 6 CO 0.01 -0.15 0.03 -0.08 -1.32 0.00 0.00 175.29 173.77 3klq s THR 7 N -3.96 0.13 0.27 3.63 -1.32 -0.58 -4.71 115.64 109.10 3klq s THR 7 Ca 0.12 -1.08 0.06 0.00 -1.21 0.00 0.00 61.69 59.58 3klq s THR 7 Cb 0.08 -0.66 -0.03 0.00 -1.51 0.00 0.00 72.50 70.38 3klq s THR 7 CO -0.07 -0.59 0.30 -0.44 -2.21 0.00 0.00 174.62 171.61 3klq s SER 8 N -1.87 5.85 -0.04 8.08 0.01 -1.26 -0.84 113.70 123.64 3klq s SER 8 Ca -0.09 -0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.04 3klq s SER 8 Cb -0.04 -1.51 0.01 0.00 0.21 0.00 0.00 66.02 64.69 3klq s SER 8 CO -0.03 -0.14 -0.07 -0.63 0.41 0.00 0.00 173.24 172.78 3klq s ILE 9 N -2.10 0.69 0.13 1.44 1.01 -1.26 -5.00 121.20 116.10 3klq s ILE 9 Ca 0.36 -0.25 0.09 0.00 0.00 0.00 0.00 60.65 60.84 3klq s ILE 9 Cb -0.08 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 3klq s ILE 9 CO 0.27 0.24 -0.15 -0.55 0.00 0.00 0.00 174.94 174.75 3klq s SER 10 N 0.58 4.04 0.04 3.58 0.15 -1.26 -1.21 113.70 119.60 3klq s SER 10 Ca -0.09 -0.54 0.02 0.00 0.70 0.00 0.00 55.95 56.05 3klq s SER 10 Cb -0.12 -0.62 -0.02 0.00 -1.71 0.00 0.00 66.02 63.54 3klq s SER 10 CO 0.01 0.16 -0.08 0.68 1.20 0.00 0.00 173.24 175.22 3klq s VAL 11 N -1.27 0.53 -0.09 4.45 -7.23 0.31 -4.55 120.40 112.54 3klq s VAL 11 Ca 0.20 -0.96 0.03 0.00 -1.81 0.00 0.00 61.98 59.44 3klq s VAL 11 Cb -0.10 -0.58 -0.01 0.00 0.56 0.00 0.00 36.38 36.25 3klq s VAL 11 CO 0.12 -0.31 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.71 3klq s GLU 12 N -1.37 2.97 -0.11 4.82 2.12 -0.58 -1.33 118.70 125.23 3klq s GLU 12 Ca -0.08 -0.78 -0.04 0.00 0.36 0.00 0.00 54.97 54.43 3klq s GLU 12 Cb -0.09 -2.41 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 3klq s GLU 12 CO 0.00 0.31 0.04 1.21 -0.54 0.00 0.00 175.26 176.28 3klq s ASN 13 N 0.06 5.52 -0.13 -1.70 2.47 0.20 -0.55 114.94 120.80 3klq s ASN 13 Ca -0.08 0.20 -0.01 0.00 0.42 0.00 0.00 52.86 53.40 3klq s ASN 13 Cb -0.15 -1.68 0.03 0.00 -1.45 0.00 0.00 41.25 38.01 3klq s ASN 13 CO 0.05 0.35 -0.06 -0.69 -3.72 0.00 0.00 177.10 173.04 3klq s VAL 14 N -0.71 1.00 0.11 -5.21 1.01 0.21 -1.40 120.40 115.41 3klq s VAL 14 Ca 0.12 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3klq s VAL 14 Cb -0.12 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 3klq s VAL 14 CO 0.02 0.24 0.19 -0.76 0.00 0.00 0.00 175.10 174.80 3klq s LEU 15 N 1.70 4.12 0.17 3.92 1.43 -1.26 -3.78 118.68 124.98 3klq s LEU 15 Ca 0.03 0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 53.13 3klq s LEU 15 Cb -0.14 -2.73 0.06 0.00 0.03 0.00 0.00 46.19 43.41 3klq s LEU 15 CO -0.08 0.12 1.64 -0.33 0.23 0.00 0.00 176.35 177.93 3klq h GLU 16 N 2.73 1.03 -5.35 1.70 5.08 -1.97 -3.43 114.58 114.37 3klq h GLU 16 Ca -0.47 -0.32 -0.60 0.00 -1.00 0.00 0.00 59.36 56.98 3klq h GLU 16 Cb 1.18 -0.10 -0.11 0.00 0.50 0.00 0.00 28.75 30.21 3klq h GLU 16 CO 0.69 1.00 -0.42 0.50 -1.00 0.00 0.00 179.01 179.79 3klq s ARG 17 N -5.06 4.21 0.17 2.33 3.52 -1.26 -5.01 118.95 117.84 3klq s ARG 17 Ca -0.12 -0.09 -0.21 0.00 -0.13 0.00 0.00 55.73 55.18 3klq s ARG 17 Cb 0.13 -3.44 0.08 0.00 -1.56 0.00 0.00 34.95 30.16 3klq s ARG 17 CO 0.85 0.24 1.61 0.00 -0.81 0.00 0.00 175.30 177.20 3klq h ALA 18 N 6.77 -0.06 -0.00 6.12 0.00 -2.05 -1.26 119.26 128.77 3klq h ALA 18 Ca -0.41 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3klq h ALA 18 Cb 1.16 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3klq h ALA 18 CO 0.75 -0.66 -0.03 0.41 0.00 0.00 0.00 179.25 179.73 3klq n GLY 19 N -1.40 -0.82 3.66 0.00 0.00 -1.26 -4.87 105.19 100.50 3klq n GLY 19 Ca 0.01 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 3klq n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3klq s ASP 20 N -2.17 6.57 -0.19 1.61 -1.08 -0.48 -4.89 116.67 116.04 3klq s ASP 20 Ca 0.39 2.45 0.14 0.00 -0.52 0.00 0.00 52.55 55.01 3klq s ASP 20 Cb 0.21 -2.54 0.39 0.00 -1.46 0.00 0.00 42.92 39.53 3klq s ASP 20 CO 0.40 -0.97 1.24 -1.54 0.52 0.00 0.00 175.17 174.82 3klq n SER 21 N 7.08 2.23 -4.73 -0.34 3.41 -1.26 -3.68 113.62 116.33 3klq n SER 21 Ca 0.18 -3.52 -0.42 0.00 -0.26 0.00 0.00 58.87 54.85 3klq n SER 21 Cb 0.42 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 3klq n SER 21 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3klq s THR 22 N -3.08 2.05 0.20 6.66 2.01 -1.26 -3.36 115.64 118.86 3klq s THR 22 Ca 0.37 0.03 -0.22 0.00 0.31 0.00 0.00 61.69 62.19 3klq s THR 22 Cb 0.34 -3.02 -0.08 0.00 0.01 0.00 0.00 72.50 69.75 3klq s THR 22 CO -0.01 0.00 0.74 -2.84 -0.69 0.00 0.00 174.62 171.83 3klq s PRO 23 N 0.74 4.36 0.05 4.92 0.02 -1.26 -0.28 135.00 143.56 3klq s PRO 23 Ca 0.72 0.98 0.04 0.00 0.02 0.00 0.00 61.00 62.75 3klq s PRO 23 Cb -0.49 -3.01 -0.03 0.00 0.02 0.00 0.00 34.50 30.99 3klq s PRO 23 CO 0.36 0.46 -0.11 -0.06 -0.33 0.00 0.00 177.00 177.32 3klq s PHE 24 N -1.39 0.96 0.04 6.54 0.08 -0.42 -4.74 117.98 119.04 3klq s PHE 24 Ca 0.40 -0.45 0.04 0.00 0.12 0.00 0.00 56.93 57.04 3klq s PHE 24 Cb -0.19 -0.55 -0.04 0.00 -0.57 0.00 0.00 43.02 41.67 3klq s PHE 24 CO 0.23 -0.01 -0.05 -1.12 -0.10 0.00 0.00 175.22 174.17 3klq s SER 25 N -1.55 4.71 -0.02 1.36 0.01 -1.26 -0.75 113.70 116.21 3klq s SER 25 Ca -0.05 -0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.05 3klq s SER 25 Cb -0.09 -1.08 -0.00 0.00 0.21 0.00 0.00 66.02 65.05 3klq s SER 25 CO 0.01 0.24 -0.10 -0.69 0.41 0.00 0.00 173.24 173.11 3klq s VAL 26 N -1.12 0.81 0.03 3.43 1.01 0.09 -0.40 120.40 124.25 3klq s VAL 26 Ca 0.20 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.82 3klq s VAL 26 Cb -0.11 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 3klq s VAL 26 CO 0.11 0.24 -0.10 0.00 0.00 0.00 0.00 175.10 175.36 3klq s ALA 27 N -0.05 2.93 -0.17 5.51 0.00 0.19 -1.20 121.76 128.97 3klq s ALA 27 Ca 0.01 -1.11 -0.02 0.00 0.00 0.00 0.00 51.96 50.85 3klq s ALA 27 Cb -0.06 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 3klq s ALA 27 CO 0.00 0.61 -0.10 -1.17 0.00 0.00 0.00 175.76 175.10 3klq s LEU 28 N -1.61 2.74 -0.04 0.00 2.96 -0.04 -2.34 118.68 120.34 3klq s LEU 28 Ca 0.18 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 3klq s LEU 28 Cb -0.11 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 44.93 3klq s LEU 28 CO 0.09 0.07 -0.13 -0.70 -1.32 0.00 0.00 176.35 174.36 3klq s GLU 29 N 0.90 1.52 -0.15 1.98 2.12 -0.33 0.04 118.70 124.77 3klq s GLU 29 Ca -0.02 -0.46 -0.29 0.00 0.36 0.00 0.00 54.97 54.56 3klq s GLU 29 Cb -0.15 -1.32 -0.01 0.00 0.26 0.00 0.00 34.13 32.92 3klq s GLU 29 CO -0.00 0.14 1.00 0.45 -0.54 0.00 0.00 175.26 176.30 3klq s SER 30 N 0.28 7.17 0.14 -1.70 0.15 -0.01 -0.69 113.70 119.04 3klq s SER 30 Ca -0.07 1.44 -0.09 0.00 0.70 0.00 0.00 55.95 57.93 3klq s SER 30 Cb -0.12 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.62 3klq s SER 30 CO 0.02 -0.51 1.42 0.40 1.20 0.00 0.00 173.24 175.77 3klq h ILE 31 N 5.22 1.29 -0.31 6.45 1.08 -1.24 -0.23 117.51 129.77 3klq h ILE 31 Ca -0.27 -1.80 -0.09 0.00 -0.39 0.00 0.00 64.86 62.31 3klq h ILE 31 Cb 1.12 1.74 -0.02 0.00 -3.07 0.00 0.00 36.82 36.59 3klq h ILE 31 CO 0.89 0.58 -0.17 0.44 -0.69 0.00 0.00 178.15 179.20 3klq h ASP 32 N 0.57 0.54 0.03 1.72 3.32 -1.92 -2.96 116.42 117.71 3klq h ASP 32 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3klq h ASP 32 Cb 1.18 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.59 3klq h ASP 32 CO 0.12 0.73 -0.84 0.00 -1.72 0.00 0.00 179.24 177.53 3klq n ALA 33 N -2.48 4.41 -4.02 3.45 0.00 -1.23 -4.99 120.51 115.64 3klq n ALA 33 Ca 0.00 -0.59 -0.37 0.00 0.00 0.00 0.00 53.44 52.48 3klq n ALA 33 Cb 0.36 -0.80 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 3klq n ALA 33 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3klq n MET 34 N -1.17 -1.08 -3.76 0.00 2.81 -0.13 -4.98 117.12 108.82 3klq n MET 34 Ca 0.05 0.21 -0.13 0.00 -1.81 0.00 0.00 57.70 56.03 3klq n MET 34 Cb 0.36 -3.40 -0.13 0.00 -0.71 0.00 0.00 33.22 29.34 3klq n MET 34 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 3klq s LYS 35 N -6.98 0.20 0.10 0.03 2.20 -1.00 -4.99 119.74 109.29 3klq s LYS 35 Ca 0.31 0.39 -0.31 0.00 -0.36 0.00 0.00 55.97 56.00 3klq s LYS 35 Cb -0.15 -0.03 -0.08 0.00 -1.51 0.00 0.00 37.83 36.06 3klq s LYS 35 CO 0.94 -0.10 1.38 0.99 -0.36 0.00 0.00 175.35 178.19 3klq s THR 36 N 0.74 3.39 -0.19 3.43 2.01 -1.26 -0.83 115.64 122.93 3klq s THR 36 Ca -0.05 0.98 -0.17 0.00 0.31 0.00 0.00 61.69 62.76 3klq s THR 36 Cb -0.07 -3.63 -0.21 0.00 0.01 0.00 0.00 72.50 68.60 3klq s THR 36 CO -0.04 0.07 0.24 -0.38 -0.69 0.00 0.00 174.62 173.82 3klq n ILE 37 N 4.00 1.61 -3.49 1.82 2.08 0.11 -4.91 119.36 120.57 3klq n ILE 37 Ca 0.11 -0.22 -0.12 0.00 0.56 0.00 0.00 62.75 63.08 3klq n ILE 37 Cb 0.43 -1.95 -0.03 0.00 -0.75 0.00 0.00 39.64 37.34 3klq n ILE 37 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3klq s GLU 38 N -2.42 0.98 -0.01 0.38 2.12 -1.14 -5.02 118.70 113.59 3klq s GLU 38 Ca -0.27 -0.17 0.04 0.00 0.36 0.00 0.00 54.97 54.92 3klq s GLU 38 Cb 0.06 0.45 -0.01 0.00 0.26 0.00 0.00 34.13 34.90 3klq s GLU 38 CO 0.64 -0.39 -0.13 -1.21 -0.54 0.00 0.00 175.26 173.63 3klq s GLU 39 N -2.63 1.03 0.22 4.30 2.02 -1.26 -0.86 118.70 121.52 3klq s GLU 39 Ca -0.01 -0.46 0.06 0.00 0.02 0.00 0.00 54.97 54.58 3klq s GLU 39 Cb -0.01 -1.00 -0.05 0.00 0.10 0.00 0.00 34.13 33.17 3klq s GLU 39 CO -0.05 0.27 -0.07 0.96 0.02 0.00 0.00 175.26 176.39 3klq s ILE 40 N -0.31 1.40 -0.04 -1.63 -4.36 -0.34 -4.96 121.20 110.97 3klq s ILE 40 Ca 0.05 -2.11 0.05 0.00 -0.26 0.00 0.00 60.65 58.38 3klq s ILE 40 Cb -0.05 -2.21 -0.01 0.00 1.25 0.00 0.00 42.46 41.45 3klq s ILE 40 CO -0.00 -0.46 -0.17 -0.89 0.24 0.00 0.00 174.94 173.65 3klq s THR 41 N -3.18 1.43 -0.14 8.37 2.01 -1.26 -0.73 115.64 122.14 3klq s THR 41 Ca 0.25 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.55 3klq s THR 41 Cb 0.03 -1.22 0.01 0.00 0.01 0.00 0.00 72.50 71.33 3klq s THR 41 CO 0.08 0.41 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.57 3klq s ILE 42 N -0.05 2.04 -0.55 1.82 1.01 0.07 -4.96 121.20 120.58 3klq s ILE 42 Ca -0.02 -0.97 -0.25 0.00 0.00 0.00 0.00 60.65 59.41 3klq s ILE 42 Cb -0.11 -1.80 0.04 0.00 0.01 0.00 0.00 42.46 40.60 3klq s ILE 42 CO 0.02 0.55 0.98 0.00 0.00 0.00 0.00 174.94 176.49 3klq s ALA 43 N 0.81 3.13 0.00 9.38 0.00 -1.26 -1.30 121.76 132.52 3klq s ALA 43 Ca -0.07 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.74 3klq s ALA 43 Cb -0.16 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.18 3klq s ALA 43 CO -0.02 -2.42 0.00 0.41 0.00 0.00 0.00 175.76 173.73 3klq n GLY 44 N 5.10 0.86 3.75 0.00 0.00 0.62 -4.66 105.19 110.86 3klq n GLY 44 Ca 0.03 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 3klq n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3klq s SER 45 N -4.00 7.44 0.00 1.61 0.01 -1.24 -4.61 113.70 112.90 3klq s SER 45 Ca 0.00 1.71 0.00 0.00 1.31 0.00 0.00 55.95 58.97 3klq s SER 45 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 3klq s SER 45 CO 0.00 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.31 3klq n GLY 46 N 2.01 -0.85 3.25 3.44 0.00 -0.50 -4.99 105.19 107.55 3klq n GLY 46 Ca -0.01 -1.24 -0.24 0.00 0.00 0.00 0.00 46.02 44.53 3klq n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3klq s LYS 47 N -2.00 1.23 0.07 1.61 1.02 -1.26 -0.63 119.74 119.79 3klq s LYS 47 Ca 0.00 -0.98 -0.16 0.00 0.02 0.00 0.00 55.97 54.85 3klq s LYS 47 Cb 0.00 -1.38 0.03 0.00 -0.52 0.00 0.00 37.83 35.96 3klq s LYS 47 CO 0.00 0.34 0.37 0.00 -0.92 0.00 0.00 175.35 175.14 3klq s ALA 48 N -0.93 -0.87 0.06 5.17 0.00 -0.44 -4.99 121.76 119.76 3klq s ALA 48 Ca 0.06 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.18 3klq s ALA 48 Cb -0.09 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 3klq s ALA 48 CO 0.02 -0.50 -0.16 -1.12 0.00 0.00 0.00 175.76 174.00 3klq s SER 49 N -2.29 3.95 0.83 0.00 0.01 -1.26 -0.53 113.70 114.40 3klq s SER 49 Ca -0.02 -0.42 -0.11 0.00 1.31 0.00 0.00 55.95 56.71 3klq s SER 49 Cb 0.00 -0.67 0.09 0.00 0.21 0.00 0.00 66.02 65.66 3klq s SER 49 CO -0.06 0.24 1.09 -0.36 0.41 0.00 0.00 173.24 174.56 3klq s PHE 50 N -1.00 2.51 0.64 2.43 0.08 -0.35 -5.00 117.98 117.29 3klq s PHE 50 Ca 0.16 1.37 -0.18 0.00 0.12 0.00 0.00 56.93 58.41 3klq s PHE 50 Cb -0.11 -3.10 -0.01 0.00 -0.57 0.00 0.00 43.02 39.23 3klq s PHE 50 CO 0.07 -2.04 1.21 -1.12 -0.10 0.00 0.00 175.22 173.25 3klq s SER 51 N -3.48 4.87 0.43 1.36 0.01 -1.26 -4.50 113.70 111.13 3klq s SER 51 Ca 0.62 2.39 -0.26 0.00 1.31 0.00 0.00 55.95 60.01 3klq s SER 51 Cb -0.17 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.37 3klq s SER 51 CO 0.56 -1.81 1.43 -2.65 0.41 0.00 0.00 173.24 171.18 3klq n PRO 52 N -1.95 2.32 -3.17 12.44 -0.02 -1.26 -4.79 135.00 138.56 3klq n PRO 52 Ca 0.14 0.82 -0.39 0.00 -2.02 0.00 0.00 63.50 62.05 3klq n PRO 52 Cb 0.50 -2.61 -0.05 0.00 -0.02 0.00 0.00 33.50 31.31 3klq n PRO 52 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3klq s LEU 53 N -2.39 4.35 0.11 2.45 1.43 -0.02 -4.91 118.68 119.71 3klq s LEU 53 Ca 0.59 1.10 0.09 0.00 -1.03 0.00 0.00 54.13 54.88 3klq s LEU 53 Cb -0.46 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 42.79 3klq s LEU 53 CO 0.59 0.01 -0.18 0.42 0.23 0.00 0.00 176.35 177.42 3klq s THR 54 N 0.31 2.86 0.03 5.49 -4.23 -1.26 -1.53 115.64 117.31 3klq s THR 54 Ca 0.32 -1.47 -0.02 0.00 -1.18 0.00 0.00 61.69 59.34 3klq s THR 54 Cb -0.17 -2.30 -0.02 0.00 1.34 0.00 0.00 72.50 71.34 3klq s THR 54 CO 0.16 0.12 0.00 -0.36 -0.54 0.00 0.00 174.62 174.00 3klq s PHE 55 N -1.13 0.28 0.00 3.99 0.08 0.42 -4.99 117.98 116.62 3klq s PHE 55 Ca 0.18 -0.59 0.00 0.00 0.12 0.00 0.00 56.93 56.64 3klq s PHE 55 Cb -0.11 -0.21 0.00 0.00 -0.57 0.00 0.00 43.02 42.14 3klq s PHE 55 CO 0.10 -0.26 0.57 0.25 -0.10 0.00 0.00 175.22 175.78 3klq n THR 56 N 1.20 0.30 -4.38 0.64 -2.24 -1.26 -1.50 114.28 107.03 3klq n THR 56 Ca -0.21 -0.52 -0.19 0.00 -2.27 0.00 0.00 64.05 60.86 3klq n THR 56 Cb 0.57 1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 69.66 3klq n THR 56 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3klq s THR 57 N -0.30 0.87 0.53 4.28 -4.23 -1.26 -4.89 115.64 110.64 3klq s THR 57 Ca 0.00 -0.64 -0.19 0.00 -1.18 0.00 0.00 61.69 59.68 3klq s THR 57 Cb 0.00 -0.76 -0.06 0.00 1.34 0.00 0.00 72.50 73.02 3klq s THR 57 CO 0.00 0.12 1.08 0.68 -0.54 0.00 0.00 174.62 175.96 3klq s VAL 58 N -0.49 3.50 -5.00 2.29 -7.23 -1.26 -4.85 120.40 107.36 3klq s VAL 58 Ca 0.02 0.90 0.00 0.00 -1.81 0.00 0.00 61.98 61.09 3klq s VAL 58 Cb -0.05 -3.36 0.00 0.00 0.56 0.00 0.00 36.38 33.53 3klq s VAL 58 CO 0.00 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 3klq n GLY 59 N -0.17 -1.80 3.32 2.32 0.00 -0.42 -4.97 105.19 103.46 3klq n GLY 59 Ca 0.10 -1.48 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 3klq n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3klq s GLN 60 N -1.76 3.19 -0.08 1.61 -0.21 -1.26 -0.97 119.66 120.18 3klq s GLN 60 Ca 0.00 -0.76 0.02 0.00 0.02 0.00 0.00 55.36 54.64 3klq s GLN 60 Cb 0.00 -2.48 0.01 0.00 1.00 0.00 0.00 33.01 31.54 3klq s GLN 60 CO 0.00 0.23 -0.15 0.71 -2.12 0.00 0.00 175.29 173.96 3klq s TYR 61 N 0.27 1.74 -0.10 0.91 2.02 0.07 -4.98 117.35 117.28 3klq s TYR 61 Ca -0.12 -0.70 0.01 0.00 -0.37 0.00 0.00 57.07 55.88 3klq s TYR 61 Cb -0.16 -1.25 -0.02 0.00 -0.40 0.00 0.00 41.96 40.13 3klq s TYR 61 CO 0.07 -0.35 -0.12 0.99 -1.57 0.00 0.00 175.55 174.57 3klq s THR 62 N 0.71 3.23 0.22 -0.71 2.01 -1.26 -0.64 115.64 119.20 3klq s THR 62 Ca -0.13 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.25 3klq s THR 62 Cb -0.16 -2.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.98 3klq s THR 62 CO 0.03 0.55 0.07 -0.31 -0.69 0.00 0.00 174.62 174.28 3klq s TYR 63 N -0.19 1.37 0.07 4.92 2.02 0.19 -0.73 117.35 125.02 3klq s TYR 63 Ca 0.01 -1.16 0.03 0.00 -0.37 0.00 0.00 57.07 55.57 3klq s TYR 63 Cb -0.13 -0.78 -0.03 0.00 -0.40 0.00 0.00 41.96 40.61 3klq s TYR 63 CO 0.03 -0.34 -0.08 -0.98 -1.57 0.00 0.00 175.55 172.60 3klq s ARG 64 N -4.01 0.72 -0.05 -0.62 1.70 0.14 -1.22 118.95 115.60 3klq s ARG 64 Ca 0.33 -1.04 0.02 0.00 -0.47 0.00 0.00 55.73 54.57 3klq s ARG 64 Cb 0.07 -0.36 0.02 0.00 -0.57 0.00 0.00 34.95 34.10 3klq s ARG 64 CO 0.10 0.05 -0.08 0.08 -1.08 0.00 0.00 175.30 174.37 3klq s VAL 65 N -2.31 0.81 0.16 4.99 1.01 0.17 -1.19 120.40 124.05 3klq s VAL 65 Ca 0.01 -0.30 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 3klq s VAL 65 Cb -0.04 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.58 3klq s VAL 65 CO -0.01 0.28 0.36 -0.72 0.00 0.00 0.00 175.10 175.01 3klq s TYR 66 N 0.70 0.16 -0.16 5.22 -0.85 -0.99 -0.96 117.35 120.47 3klq s TYR 66 Ca -0.12 -0.52 -0.11 0.00 -0.52 0.00 0.00 57.07 55.80 3klq s TYR 66 Cb -0.14 0.11 -0.05 0.00 0.38 0.00 0.00 41.96 42.26 3klq s TYR 66 CO 0.02 -0.76 0.20 -1.14 -1.52 0.00 0.00 175.55 172.35 3klq s GLN 67 N -3.91 4.04 0.71 -3.49 0.74 -1.26 -0.64 119.66 115.85 3klq s GLN 67 Ca 0.12 -0.06 -0.13 0.00 0.05 0.00 0.00 55.36 55.34 3klq s GLN 67 Cb 0.02 -3.36 0.02 0.00 1.10 0.00 0.00 33.01 30.79 3klq s GLN 67 CO -0.03 0.40 1.11 0.15 -0.55 0.00 0.00 175.29 176.37 3klq s LYS 68 N 0.03 2.54 0.53 1.67 -0.14 0.46 -4.88 119.74 119.95 3klq s LYS 68 Ca 0.13 1.33 -0.21 0.00 -1.36 0.00 0.00 55.97 55.87 3klq s LYS 68 Cb -0.12 -1.92 -0.07 0.00 -1.68 0.00 0.00 37.83 34.03 3klq s LYS 68 CO 0.02 -1.45 0.94 -2.30 -0.76 0.00 0.00 175.35 171.81 3klq n PRO 69 N -2.86 1.06 -2.24 -1.68 -0.02 -1.26 -4.70 135.00 123.30 3klq n PRO 69 Ca 0.10 0.39 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 3klq n PRO 69 Cb 0.52 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 3klq n PRO 69 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3klq s SER 70 N -1.03 6.91 0.26 2.55 0.15 -1.26 -4.87 113.70 116.41 3klq s SER 70 Ca 0.70 2.36 0.25 0.00 0.70 0.00 0.00 55.95 59.95 3klq s SER 70 Cb -0.47 -2.60 0.54 0.00 -1.71 0.00 0.00 66.02 61.78 3klq s SER 70 CO 0.52 -0.53 1.60 1.56 1.20 0.00 0.00 173.24 177.60 3klq h GLN 71 N 5.62 0.00 -4.92 5.44 1.08 -1.90 -3.43 115.11 117.00 3klq h GLN 71 Ca -0.44 0.00 -0.65 0.00 -1.45 0.00 0.00 58.65 56.11 3klq h GLN 71 Cb 1.21 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 28.47 3klq h GLN 71 CO 0.78 0.00 -0.40 1.21 -0.95 0.00 0.00 178.83 179.47 3klq s ASN 72 N -5.01 6.11 0.59 1.46 3.84 -1.26 -4.96 114.94 115.70 3klq s ASN 72 Ca 0.08 -0.09 0.29 0.00 0.21 0.00 0.00 52.86 53.35 3klq s ASN 72 Cb 0.10 -2.16 1.69 0.00 -0.55 0.00 0.00 41.25 40.34 3klq s ASN 72 CO 0.65 -0.18 2.13 0.11 -2.79 0.00 0.00 177.10 177.03 3klq h LYS 73 N 8.38 0.00 0.00 0.43 1.79 -2.03 -1.82 116.57 123.32 3klq h LYS 73 Ca -0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 3klq h LYS 73 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 3klq h LYS 73 CO 0.62 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 178.74 3klq n ASP 74 N -3.81 0.00 -4.27 0.86 8.00 -1.26 -4.81 116.55 111.26 3klq n ASP 74 Ca 0.01 -0.27 -0.17 0.00 0.71 0.00 0.00 54.79 55.06 3klq n ASP 74 Cb 0.27 -0.19 -0.10 0.00 -0.02 0.00 0.00 41.12 41.07 3klq n ASP 74 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3klq s TYR 75 N -2.39 1.44 -0.19 1.24 2.02 -0.68 -0.94 117.35 117.85 3klq s TYR 75 Ca 0.26 -0.63 -0.01 0.00 -0.37 0.00 0.00 57.07 56.33 3klq s TYR 75 Cb 0.16 -0.72 0.01 0.00 -0.40 0.00 0.00 41.96 41.00 3klq s TYR 75 CO 0.33 0.18 -0.13 -1.14 -1.57 0.00 0.00 175.55 173.22 3klq s GLN 76 N -3.29 3.17 0.55 -0.62 0.74 0.03 -4.75 119.66 115.49 3klq s GLN 76 Ca 0.15 -0.74 -0.21 0.00 0.05 0.00 0.00 55.36 54.61 3klq s GLN 76 Cb -0.01 -2.76 -0.05 0.00 1.10 0.00 0.00 33.01 31.29 3klq s GLN 76 CO 0.03 -0.19 1.20 0.00 -0.55 0.00 0.00 175.29 175.79 3klq n ALA 77 N 4.65 1.00 -2.09 1.58 0.00 -1.26 -1.62 120.51 122.76 3klq n ALA 77 Ca -0.20 0.10 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 3klq n ALA 77 Cb 0.50 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.67 3klq n ALA 77 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3klq s ASP 78 N -1.01 6.74 0.00 0.00 -1.08 -1.26 -4.83 116.67 115.23 3klq s ASP 78 Ca 0.72 2.24 0.23 0.00 -0.52 0.00 0.00 52.55 55.23 3klq s ASP 78 Cb -0.43 -2.56 0.74 0.00 -1.46 0.00 0.00 42.92 39.21 3klq s ASP 78 CO 0.49 -0.81 1.55 0.35 0.52 0.00 0.00 175.17 177.27 3klq n THR 79 N 4.85 0.19 -1.80 1.71 -2.24 -1.26 -4.32 114.28 111.40 3klq n THR 79 Ca 0.15 -0.38 -0.41 0.00 -2.27 0.00 0.00 64.05 61.13 3klq n THR 79 Cb 0.42 0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 69.20 3klq n THR 79 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3klq s THR 80 N -1.81 2.08 -0.09 4.28 2.01 -1.26 -4.96 115.64 115.88 3klq s THR 80 Ca 0.34 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.42 3klq s THR 80 Cb 0.19 -3.05 -0.02 0.00 0.01 0.00 0.00 72.50 69.63 3klq s THR 80 CO 0.29 0.02 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.44 3klq s VAL 81 N -0.77 3.38 -0.12 3.82 1.01 -1.26 -4.42 120.40 122.03 3klq s VAL 81 Ca 0.56 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 3klq s VAL 81 Cb -0.47 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 3klq s VAL 81 CO 0.58 0.56 -0.03 -0.36 0.00 0.00 0.00 175.10 175.86 3klq s PHE 82 N -0.32 3.06 0.08 5.22 0.08 -0.13 -0.93 117.98 125.03 3klq s PHE 82 Ca 0.04 -0.09 -0.20 0.00 0.12 0.00 0.00 56.93 56.80 3klq s PHE 82 Cb -0.13 -1.88 -0.07 0.00 -0.57 0.00 0.00 43.02 40.38 3klq s PHE 82 CO 0.02 0.17 0.58 -0.51 -0.10 0.00 0.00 175.22 175.39 3klq s ASP 83 N -0.17 7.08 -0.06 1.36 1.01 0.37 -0.66 116.67 125.61 3klq s ASP 83 Ca 0.04 1.28 0.02 0.00 0.71 0.00 0.00 52.55 54.59 3klq s ASP 83 Cb -0.13 -2.37 0.02 0.00 1.01 0.00 0.00 42.92 41.45 3klq s ASP 83 CO 0.02 0.27 -0.08 -0.69 0.21 0.00 0.00 175.17 174.90 3klq s VAL 84 N -1.09 0.81 -0.12 -1.27 1.01 -0.35 -1.56 120.40 117.82 3klq s VAL 84 Ca 0.29 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.02 3klq s VAL 84 Cb -0.20 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 3klq s VAL 84 CO 0.19 0.29 -0.20 -0.22 0.00 0.00 0.00 175.10 175.16 3klq s LEU 85 N 0.84 2.26 -0.19 3.92 1.98 -0.39 -0.64 118.68 126.46 3klq s LEU 85 Ca -0.12 -0.52 -0.03 0.00 -2.89 0.00 0.00 54.13 50.57 3klq s LEU 85 Cb -0.15 -1.48 -0.01 0.00 0.66 0.00 0.00 46.19 45.21 3klq s LEU 85 CO 0.01 0.13 -0.08 -0.69 -1.89 0.00 0.00 176.35 173.84 3klq s VAL 86 N 0.55 3.26 -0.22 1.68 1.01 0.18 -1.76 120.40 125.11 3klq s VAL 86 Ca -0.12 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 3klq s VAL 86 Cb -0.17 -2.44 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 3klq s VAL 86 CO 0.04 0.46 -0.06 -0.47 0.00 0.00 0.00 175.10 175.08 3klq s TYR 87 N 1.04 2.95 -0.22 5.22 5.04 0.62 -0.75 117.35 131.26 3klq s TYR 87 Ca 0.00 -1.09 -0.06 0.00 -2.44 0.00 0.00 57.07 53.48 3klq s TYR 87 Cb -0.15 -2.08 -0.03 0.00 0.35 0.00 0.00 41.96 40.05 3klq s TYR 87 CO -0.01 -0.60 0.03 0.08 -1.34 0.00 0.00 175.55 173.71 3klq s VAL 88 N 1.44 4.13 0.00 3.14 1.01 -0.14 -0.88 120.40 129.10 3klq s VAL 88 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.79 3klq s VAL 88 Cb -0.14 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3klq s VAL 88 CO -0.04 0.40 0.00 1.07 0.00 0.00 0.00 175.10 176.52 3klq n THR 89 N 4.48 0.00 -4.19 3.92 5.66 -0.66 -1.30 114.28 122.20 3klq n THR 89 Ca -0.17 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.48 3klq n THR 89 Cb 0.52 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.22 3klq n THR 89 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3klq s TYR 90 N -3.61 3.29 0.64 1.09 2.02 -1.26 -0.68 117.35 118.84 3klq s TYR 90 Ca 0.00 0.27 -0.07 0.00 -0.37 0.00 0.00 57.07 56.91 3klq s TYR 90 Cb 0.00 -1.81 0.14 0.00 -0.40 0.00 0.00 41.96 39.89 3klq s TYR 90 CO 0.00 0.55 0.88 -3.47 -1.57 0.00 0.00 175.55 171.94 3klq n ASP 91 N 1.83 0.52 0.28 2.29 4.64 0.15 -4.89 116.55 121.38 3klq n ASP 91 Ca -0.17 -1.60 0.14 0.00 -1.38 0.00 0.00 54.79 51.78 3klq n ASP 91 Cb 0.54 -0.63 0.82 0.00 -1.04 0.00 0.00 41.12 40.81 3klq n ASP 91 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 3klq h GLU 92 N 0.00 0.00 -0.35 -0.67 5.08 -2.00 -1.28 114.58 115.36 3klq h GLU 92 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3klq h GLU 92 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3klq h GLU 92 CO 0.25 0.05 0.00 -0.40 -1.00 0.00 0.00 179.01 177.91 3klq n ASP 93 N -3.80 2.35 0.00 1.42 5.68 -1.26 -4.91 116.55 116.02 3klq n ASP 93 Ca -0.03 -1.90 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 3klq n ASP 93 Cb 0.15 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 3klq n ASP 93 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3klq n GLY 94 N 1.24 0.76 3.90 6.12 0.00 -0.48 -5.05 105.19 111.68 3klq n GLY 94 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3klq n GLY 94 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3klq s THR 95 N -2.70 5.02 0.46 2.61 -4.23 -1.26 -4.78 115.64 110.76 3klq s THR 95 Ca 0.00 -0.93 -0.24 0.00 -1.18 0.00 0.00 61.69 59.34 3klq s THR 95 Cb 0.00 -3.63 -0.07 0.00 1.34 0.00 0.00 72.50 70.14 3klq s THR 95 CO 0.00 -0.18 1.26 -0.76 -0.54 0.00 0.00 174.62 174.40 3klq s LEU 96 N -3.45 4.05 -0.03 4.79 1.43 -1.26 -0.67 118.68 123.53 3klq s LEU 96 Ca 0.33 2.53 -0.04 0.00 -1.03 0.00 0.00 54.13 55.93 3klq s LEU 96 Cb -0.10 -4.13 0.01 0.00 0.03 0.00 0.00 46.19 42.00 3klq s LEU 96 CO 0.27 -1.04 0.09 0.54 0.23 0.00 0.00 176.35 176.44 3klq s VAL 97 N -1.39 0.02 -0.16 -1.59 0.11 0.14 -4.80 120.40 112.73 3klq s VAL 97 Ca 0.63 -0.18 -0.00 0.00 -2.93 0.00 0.00 61.98 59.50 3klq s VAL 97 Cb -0.35 -0.20 -0.00 0.00 -1.53 0.00 0.00 36.38 34.30 3klq s VAL 97 CO 0.43 -0.10 -0.13 0.00 -3.33 0.00 0.00 175.10 171.96 3klq s ALA 98 N -0.29 2.56 -0.02 1.54 0.00 -1.26 -1.65 121.76 122.65 3klq s ALA 98 Ca -0.04 -1.05 0.08 0.00 0.00 0.00 0.00 51.96 50.95 3klq s ALA 98 Cb -0.03 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 3klq s ALA 98 CO 0.00 -0.07 -0.25 0.15 0.00 0.00 0.00 175.76 175.60 3klq s LYS 99 N 0.87 2.12 -0.04 0.00 1.02 -0.05 -4.94 119.74 118.71 3klq s LYS 99 Ca -0.04 -0.93 0.03 0.00 0.02 0.00 0.00 55.97 55.06 3klq s LYS 99 Cb -0.15 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 3klq s LYS 99 CO -0.01 0.56 -0.12 0.08 -0.92 0.00 0.00 175.35 174.94 3klq s VAL 100 N -0.65 1.08 0.15 3.17 1.01 -1.26 -0.28 120.40 123.61 3klq s VAL 100 Ca 0.10 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.67 3klq s VAL 100 Cb -0.10 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3klq s VAL 100 CO -0.00 0.33 -0.19 0.27 0.00 0.00 0.00 175.10 175.51 3klq s ILE 101 N 0.31 1.77 0.03 2.22 -4.36 -0.72 -4.99 121.20 115.45 3klq s ILE 101 Ca -0.07 -1.80 -0.01 0.00 -0.26 0.00 0.00 60.65 58.51 3klq s ILE 101 Cb -0.12 -1.75 -0.02 0.00 1.25 0.00 0.00 42.46 41.82 3klq s ILE 101 CO 0.02 -0.24 -0.02 -0.94 0.24 0.00 0.00 174.94 174.00 3klq s SER 102 N -2.44 0.28 0.16 4.36 1.04 -1.26 -1.26 113.70 114.59 3klq s SER 102 Ca 0.13 -0.60 -0.21 0.00 0.48 0.00 0.00 55.95 55.75 3klq s SER 102 Cb -0.07 0.13 0.06 0.00 0.10 0.00 0.00 66.02 66.24 3klq s SER 102 CO 0.06 -0.37 0.57 0.00 0.98 0.00 0.00 173.24 174.47 3klq s ARG 103 N -2.01 1.28 0.33 4.02 1.70 -0.60 -1.54 118.95 122.13 3klq s ARG 103 Ca -0.11 -0.58 -0.29 0.00 -0.47 0.00 0.00 55.73 54.29 3klq s ARG 103 Cb -0.06 0.56 -0.11 0.00 -0.57 0.00 0.00 34.95 34.78 3klq s ARG 103 CO -0.03 -0.55 1.44 1.03 -1.08 0.00 0.00 175.30 176.11 3klq s ARG 104 N -3.78 4.21 0.11 3.89 0.52 -1.26 -0.48 118.95 122.16 3klq s ARG 104 Ca 0.03 2.43 -0.34 0.00 -0.52 0.00 0.00 55.73 57.32 3klq s ARG 104 Cb -0.01 -3.03 -0.14 0.00 0.52 0.00 0.00 34.95 32.30 3klq s ARG 104 CO -0.11 -0.43 1.62 0.00 0.02 0.00 0.00 175.30 176.40 3klq n ALA 105 N 1.14 1.17 0.00 2.13 0.00 -0.11 -1.53 120.51 123.31 3klq n ALA 105 Ca 0.03 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3klq n ALA 105 Cb 0.40 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.48 3klq n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3klq n GLY 106 N 3.56 3.07 3.59 0.00 0.00 -1.26 -4.96 105.19 109.18 3klq n GLY 106 Ca 0.18 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 3klq n GLY 106 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3klq n ASP 107 N 1.21 -0.32 -0.10 1.61 9.92 -0.58 -4.97 116.55 123.32 3klq n ASP 107 Ca 0.00 0.44 -0.24 0.00 -0.53 0.00 0.00 54.79 54.47 3klq n ASP 107 Cb 0.00 -1.39 -0.12 0.00 -0.64 0.00 0.00 41.12 38.98 3klq n ASP 107 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3klq n GLU 108 N -3.04 0.62 -2.58 -1.24 -0.58 -1.26 -4.90 120.64 107.66 3klq n GLU 108 Ca 0.11 0.38 -0.32 0.00 -0.42 0.00 0.00 57.16 56.91 3klq n GLU 108 Cb 0.52 -1.64 -0.04 0.00 -0.57 0.00 0.00 31.44 29.71 3klq n GLU 108 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3klq s GLU 109 N -2.46 3.97 0.60 3.49 8.01 -1.26 -5.05 118.70 126.00 3klq s GLU 109 Ca -0.31 0.89 -0.16 0.00 0.01 0.00 0.00 54.97 55.40 3klq s GLU 109 Cb 0.09 -2.20 -0.03 0.00 -4.31 0.00 0.00 34.13 27.68 3klq s GLU 109 CO 0.60 -0.17 1.07 0.15 0.01 0.00 0.00 175.26 176.92 3klq s LYS 110 N -3.82 3.24 0.09 1.61 1.02 -1.26 -4.60 119.74 116.01 3klq s LYS 110 Ca 0.58 1.28 -0.15 0.00 0.02 0.00 0.00 55.97 57.70 3klq s LYS 110 Cb -0.10 -2.02 0.03 0.00 -0.52 0.00 0.00 37.83 35.22 3klq s LYS 110 CO 0.27 -0.89 0.35 -1.54 -0.92 0.00 0.00 175.35 172.63 3klq s SER 111 N -2.63 -0.16 0.53 2.83 1.04 -0.59 -4.95 113.70 109.77 3klq s SER 111 Ca 0.65 -0.31 -0.21 0.00 0.48 0.00 0.00 55.95 56.56 3klq s SER 111 Cb -0.17 0.43 -0.06 0.00 0.10 0.00 0.00 66.02 66.32 3klq s SER 111 CO 0.36 -0.77 1.19 0.00 0.98 0.00 0.00 173.24 175.00 3klq s ALA 112 N -3.44 2.75 -0.41 5.32 0.00 -1.26 -4.17 121.76 120.55 3klq s ALA 112 Ca 0.01 0.97 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 3klq s ALA 112 Cb 0.02 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.74 3klq s ALA 112 CO -0.09 -0.91 1.29 0.42 0.00 0.00 0.00 175.76 176.47 3klq s ILE 113 N -1.60 4.07 -0.02 0.00 1.01 -1.26 -4.97 121.20 118.43 3klq s ILE 113 Ca 0.71 1.12 -0.01 0.00 0.00 0.00 0.00 60.65 62.47 3klq s ILE 113 Cb -0.29 -4.33 0.01 0.00 0.01 0.00 0.00 42.46 37.86 3klq s ILE 113 CO 0.33 -0.77 0.05 -0.89 0.00 0.00 0.00 174.94 173.66 3klq s THR 114 N 4.85 -0.02 0.04 2.92 2.01 -1.26 -1.53 115.64 122.65 3klq s THR 114 Ca 0.55 0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.71 3klq s THR 114 Cb -0.12 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.28 3klq s THR 114 CO 0.30 0.03 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.66 3klq s PHE 115 N 0.41 2.14 -0.51 4.92 0.08 0.29 -4.97 117.98 120.34 3klq s PHE 115 Ca -0.03 -0.40 0.04 0.00 0.12 0.00 0.00 56.93 56.66 3klq s PHE 115 Cb -0.05 -1.29 0.17 0.00 -0.57 0.00 0.00 43.02 41.28 3klq s PHE 115 CO -0.01 0.09 0.40 1.63 -0.10 0.00 0.00 175.22 177.22 3klq n LYS 116 N 1.91 0.76 -1.52 0.44 5.02 -1.26 -0.62 118.16 122.89 3klq n LYS 116 Ca -0.17 -3.63 -0.34 0.00 -2.02 0.00 0.00 58.31 52.15 3klq n LYS 116 Cb 0.52 -1.88 0.08 0.00 -0.02 0.00 0.00 35.03 33.74 3klq n LYS 116 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3klq s PRO 117 N -0.49 2.29 -0.07 1.97 0.02 -1.25 -4.51 135.00 132.97 3klq s PRO 117 Ca 0.30 1.71 0.04 0.00 0.02 0.00 0.00 61.00 63.07 3klq s PRO 117 Cb 0.01 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.66 3klq s PRO 117 CO -0.19 -1.71 -0.17 0.15 -0.33 0.00 0.00 177.00 174.75 3klq s LYS 118 N -3.90 2.71 0.08 5.54 1.02 -0.64 -4.59 119.74 119.95 3klq s LYS 118 Ca 0.73 -0.76 -0.31 0.00 0.02 0.00 0.00 55.97 55.66 3klq s LYS 118 Cb -0.28 -2.37 -0.08 0.00 -0.52 0.00 0.00 37.83 34.59 3klq s LYS 118 CO 0.44 0.46 1.46 1.03 -0.92 0.00 0.00 175.35 177.82 3klq s ARG 119 N -0.32 4.28 -0.18 1.68 1.81 -1.26 -0.79 118.95 124.16 3klq s ARG 119 Ca 0.02 2.12 -0.29 0.00 -1.72 0.00 0.00 55.73 55.86 3klq s ARG 119 Cb -0.13 -3.39 -0.00 0.00 -0.45 0.00 0.00 34.95 30.99 3klq s ARG 119 CO 0.02 -0.55 1.09 -0.51 -0.68 0.00 0.00 175.30 174.68 3klq s LEU 120 N 1.72 4.15 -1.33 2.53 1.43 -0.11 -4.94 118.68 122.14 3klq s LEU 120 Ca 0.67 1.50 -0.07 0.00 -1.03 0.00 0.00 54.13 55.20 3klq s LEU 120 Cb -0.37 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.43 3klq s LEU 120 CO 0.30 -0.65 2.30 1.33 0.23 0.00 0.00 176.35 179.86 3klq n VAL 121 N 5.15 4.98 -0.32 -1.59 0.24 -1.26 -4.93 118.33 120.60 3klq n VAL 121 Ca 0.12 -4.25 0.00 0.00 -2.04 0.00 0.00 64.34 58.17 3klq n VAL 121 Cb 0.46 -2.17 0.00 0.00 -1.47 0.00 0.00 33.84 30.66 3klq n VAL 121 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3klq n PRO 123 N 2.33 -0.02 -2.89 7.34 -0.04 -1.26 -5.00 135.00 135.47 3klq n PRO 123 Ca 0.58 0.03 -0.40 0.00 -0.04 0.00 0.00 63.50 63.66 3klq n PRO 123 Cb 0.27 -0.02 -0.05 0.00 -0.04 0.00 0.00 33.50 33.66 3klq n PRO 123 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3klq s ILE 124 N -0.01 4.52 0.44 0.52 1.09 -1.26 -5.03 121.20 121.48 3klq s ILE 124 Ca 0.00 1.81 -0.25 0.00 -1.10 0.00 0.00 60.65 61.11 3klq s ILE 124 Cb 0.00 -4.20 -0.08 0.00 -1.06 0.00 0.00 42.46 37.12 3klq s ILE 124 CO 0.00 0.40 1.34 -2.84 -0.10 0.00 0.00 174.94 173.74 3klq s PRO 125 N -0.38 3.75 0.78 2.79 0.02 -1.26 -4.99 135.00 135.70 3klq s PRO 125 Ca 0.40 2.22 -0.11 0.00 0.02 0.00 0.00 61.00 63.54 3klq s PRO 125 Cb -0.22 -2.63 0.06 0.00 0.02 0.00 0.00 34.50 31.73 3klq s PRO 125 CO 0.26 -0.70 1.09 -1.25 -0.33 0.00 0.00 177.00 176.07 3klq s PRO 126 N -2.43 2.23 0.85 5.54 0.04 -1.26 -5.03 135.00 134.93 3klq s PRO 126 Ca 0.61 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 62.63 3klq s PRO 126 Cb -0.39 -1.90 0.10 0.00 0.04 0.00 0.00 34.50 32.35 3klq s PRO 126 CO 0.50 -1.64 1.10 1.03 0.04 0.00 0.00 177.00 178.03 3klq s ARG 127 N -4.93 1.62 0.33 4.56 1.81 -1.26 -5.04 118.95 116.04 3klq s ARG 127 Ca 0.61 1.15 -0.10 0.00 -1.72 0.00 0.00 55.73 55.67 3klq s ARG 127 Cb -0.17 -1.83 -0.07 0.00 -0.45 0.00 0.00 34.95 32.44 3klq s ARG 127 CO 0.56 -2.08 0.68 -0.65 -0.68 0.00 0.00 175.30 173.13 3klq s GLN 128 N -4.84 3.80 0.38 3.54 -0.21 -1.26 -5.06 119.66 116.02 3klq s GLN 128 Ca 0.63 0.39 -0.26 0.00 0.02 0.00 0.00 55.36 56.14 3klq s GLN 128 Cb -0.19 -2.50 -0.09 0.00 1.00 0.00 0.00 33.01 31.24 3klq s GLN 128 CO 0.57 0.12 1.19 -2.14 -2.12 0.00 0.00 175.29 172.91 3klq s PRO 129 N -3.41 4.13 -0.18 2.91 0.02 -1.26 -5.05 135.00 132.16 3klq s PRO 129 Ca 0.50 1.91 -0.28 0.00 0.02 0.00 0.00 61.00 63.15 3klq s PRO 129 Cb -0.11 -2.77 0.10 0.00 0.02 0.00 0.00 34.50 31.74 3klq s PRO 129 CO 0.26 -0.27 0.89 0.34 -0.33 0.00 0.00 177.00 177.88 3klq s ASP 130 N -1.00 -0.52 0.88 2.53 -1.08 -1.26 -5.16 116.67 111.06 3klq s ASP 130 Ca 0.55 0.77 -0.11 0.00 -0.52 0.00 0.00 52.55 53.24 3klq s ASP 130 Cb -0.33 0.69 0.12 0.00 -1.46 0.00 0.00 42.92 41.95 3klq s ASP 130 CO 0.41 -0.34 1.10 -0.36 0.52 0.00 0.00 175.17 176.50 3klq s PHE 131 N -0.54 2.17 -2.62 -5.34 0.08 -1.26 -5.31 117.98 105.16 3klq s PHE 131 Ca -0.02 1.47 0.27 0.00 0.12 0.00 0.00 56.93 58.76 3klq s PHE 131 Cb -0.02 -3.16 0.85 0.00 -0.57 0.00 0.00 43.02 40.12 3klq s PHE 131 CO 0.01 -2.41 1.63 -2.30 -0.10 0.00 0.00 175.22 172.06