#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3klq s THR 4 N 0.00 0.16 0.02 2.46 -4.23 -1.26 -4.59 115.64 108.20 3klq s THR 4 Ca 0.00 -1.33 -0.00 0.00 -1.18 0.00 0.00 61.69 59.18 3klq s THR 4 Cb 0.00 -1.04 -0.02 0.00 1.34 0.00 0.00 72.50 72.78 3klq s THR 4 CO 0.00 -0.73 -0.03 0.54 -0.54 0.00 0.00 174.62 173.86 3klq s VAL 5 N -2.96 0.14 0.13 2.29 0.11 -0.67 -4.98 120.40 114.45 3klq s VAL 5 Ca -0.02 -1.01 0.07 0.00 -2.93 0.00 0.00 61.98 58.09 3klq s VAL 5 Cb 0.01 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 3klq s VAL 5 CO -0.06 -0.55 -0.17 -1.10 -3.33 0.00 0.00 175.10 169.88 3klq s GLN 6 N -1.72 1.12 -0.04 1.54 -0.21 -1.26 -0.85 119.66 118.23 3klq s GLN 6 Ca -0.13 -1.25 -0.06 0.00 0.02 0.00 0.00 55.36 53.94 3klq s GLN 6 Cb -0.08 -1.18 0.01 0.00 1.00 0.00 0.00 33.01 32.76 3klq s GLN 6 CO -0.02 0.25 0.15 -0.08 -2.12 0.00 0.00 175.29 173.48 3klq s THR 7 N -1.74 0.03 -0.30 -0.19 -1.32 -0.58 -4.90 115.64 106.64 3klq s THR 7 Ca 0.09 -0.22 -0.07 0.00 -1.21 0.00 0.00 61.69 60.29 3klq s THR 7 Cb -0.07 -0.30 0.01 0.00 -1.51 0.00 0.00 72.50 70.64 3klq s THR 7 CO 0.05 -0.12 0.08 -0.44 -2.21 0.00 0.00 174.62 171.98 3klq s SER 8 N -0.37 5.16 -0.10 8.08 0.01 -1.26 -1.31 113.70 123.91 3klq s SER 8 Ca -0.05 -0.78 -0.28 0.00 1.31 0.00 0.00 55.95 56.15 3klq s SER 8 Cb -0.03 -1.88 -0.02 0.00 0.21 0.00 0.00 66.02 64.30 3klq s SER 8 CO 0.01 -0.22 0.94 -0.63 0.41 0.00 0.00 173.24 173.75 3klq s ILE 9 N 1.48 4.84 0.02 1.44 1.01 -1.26 -4.91 121.20 123.81 3klq s ILE 9 Ca 0.02 1.91 0.06 0.00 0.00 0.00 0.00 60.65 62.64 3klq s ILE 9 Cb -0.18 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.01 3klq s ILE 9 CO 0.02 0.05 -0.15 -0.55 0.00 0.00 0.00 174.94 174.32 3klq s SER 10 N 1.07 3.99 0.18 3.58 0.15 -1.26 -1.21 113.70 120.19 3klq s SER 10 Ca 0.46 -0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.79 3klq s SER 10 Cb -0.18 -0.74 -0.05 0.00 -1.71 0.00 0.00 66.02 63.34 3klq s SER 10 CO 0.18 0.28 0.03 0.68 1.20 0.00 0.00 173.24 175.61 3klq s VAL 11 N -0.90 0.49 -0.03 4.45 -7.23 0.64 -4.50 120.40 113.31 3klq s VAL 11 Ca 0.15 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.39 3klq s VAL 11 Cb -0.11 -2.19 -0.00 0.00 0.56 0.00 0.00 36.38 34.64 3klq s VAL 11 CO 0.05 -0.39 -0.14 -0.70 -0.31 0.00 0.00 175.10 173.61 3klq s GLU 12 N -3.97 1.44 -0.13 4.82 2.12 -0.10 -1.05 118.70 121.83 3klq s GLU 12 Ca 0.27 -0.49 -0.03 0.00 0.36 0.00 0.00 54.97 55.08 3klq s GLU 12 Cb 0.07 -1.29 -0.03 0.00 0.26 0.00 0.00 34.13 33.14 3klq s GLU 12 CO 0.05 0.21 -0.05 1.21 -0.54 0.00 0.00 175.26 176.14 3klq s ASN 13 N 0.06 4.73 -0.20 -1.70 2.47 -0.17 -0.67 114.94 119.45 3klq s ASN 13 Ca -0.03 -0.11 0.00 0.00 0.42 0.00 0.00 52.86 53.14 3klq s ASN 13 Cb -0.10 -1.65 0.05 0.00 -1.45 0.00 0.00 41.25 38.10 3klq s ASN 13 CO 0.01 0.21 -0.06 -0.69 -3.72 0.00 0.00 177.10 172.86 3klq s VAL 14 N 0.09 1.35 0.27 -5.21 1.01 0.18 -1.45 120.40 116.63 3klq s VAL 14 Ca -0.01 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 3klq s VAL 14 Cb -0.14 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 3klq s VAL 14 CO 0.03 0.02 0.48 -0.76 0.00 0.00 0.00 175.10 174.87 3klq s LEU 15 N 1.50 4.12 0.36 3.92 1.43 -1.26 -3.79 118.68 124.97 3klq s LEU 15 Ca -0.02 0.52 0.19 0.00 -1.03 0.00 0.00 54.13 53.78 3klq s LEU 15 Cb -0.17 -3.32 0.53 0.00 0.03 0.00 0.00 46.19 43.25 3klq s LEU 15 CO -0.07 -0.15 1.66 1.05 0.23 0.00 0.00 176.35 179.06 3klq h GLU 16 N 1.60 0.00 -5.05 1.70 4.11 -1.97 -3.42 114.58 111.54 3klq h GLU 16 Ca -0.48 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.29 3klq h GLU 16 Cb 1.20 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.19 3klq h GLU 16 CO 0.66 0.36 -0.70 0.50 0.07 0.00 0.00 179.01 179.90 3klq s ARG 17 N -3.37 3.48 0.41 1.06 3.52 -1.26 -5.08 118.95 117.71 3klq s ARG 17 Ca 0.02 -0.58 -0.27 0.00 -0.13 0.00 0.00 55.73 54.77 3klq s ARG 17 Cb 0.09 -3.04 -0.09 0.00 -1.56 0.00 0.00 34.95 30.35 3klq s ARG 17 CO 0.69 -0.11 1.43 0.00 -0.81 0.00 0.00 175.30 176.51 3klq s ALA 18 N 1.28 3.39 0.00 6.12 0.00 -1.26 -1.92 121.76 129.36 3klq s ALA 18 Ca 0.03 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.48 3klq s ALA 18 Cb -0.14 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.39 3klq s ALA 18 CO -0.00 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.09 3klq n GLY 19 N 0.55 2.29 3.67 0.00 0.00 -1.26 -4.99 105.19 105.44 3klq n GLY 19 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.57 6.58 -0.16 1.61 -1.08 -0.81 -4.89 116.67 114.35 3klq s ASP 20 Ca 0.00 2.44 0.16 0.00 -0.52 0.00 0.00 52.55 54.62 3klq s ASP 20 Cb 0.00 -2.54 0.56 0.00 -1.46 0.00 0.00 42.92 39.48 3klq s ASP 20 CO 0.00 -0.96 1.46 -1.54 0.52 0.00 0.00 175.17 174.65 3klq n SER 21 N 6.91 4.09 -4.69 -0.34 3.41 -1.26 -3.85 113.62 117.90 3klq n SER 21 Ca 0.18 -2.83 -0.44 0.00 -0.26 0.00 0.00 58.87 55.52 3klq n SER 21 Cb 0.42 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 3klq n SER 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3klq n THR 22 N -0.08 0.16 -2.94 6.66 -1.04 -1.26 -2.98 114.28 112.79 3klq n THR 22 Ca 0.21 -0.04 -0.36 0.00 -2.04 0.00 0.00 64.05 61.83 3klq n THR 22 Cb 0.87 -1.69 -0.06 0.00 -1.82 0.00 0.00 70.33 67.63 3klq n THR 22 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3klq s PRO 23 N 0.77 4.36 0.06 -2.82 0.02 -1.26 -0.54 135.00 135.59 3klq s PRO 23 Ca 0.76 1.07 0.03 0.00 0.02 0.00 0.00 61.00 62.87 3klq s PRO 23 Cb -0.61 -2.73 -0.03 0.00 0.02 0.00 0.00 34.50 31.15 3klq s PRO 23 CO 0.38 0.28 -0.09 -0.06 -0.33 0.00 0.00 177.00 177.18 3klq s PHE 24 N -1.68 0.86 0.06 6.54 0.08 -0.45 -4.69 117.98 118.70 3klq s PHE 24 Ca 0.49 -0.56 0.08 0.00 0.12 0.00 0.00 56.93 57.06 3klq s PHE 24 Cb -0.16 -0.49 -0.03 0.00 -0.57 0.00 0.00 43.02 41.76 3klq s PHE 24 CO 0.21 -0.05 -0.22 -1.12 -0.10 0.00 0.00 175.22 173.94 3klq s SER 25 N -1.90 3.55 0.01 1.36 0.01 -1.26 -0.50 113.70 114.97 3klq s SER 25 Ca -0.04 -0.52 0.04 0.00 1.31 0.00 0.00 55.95 56.73 3klq s SER 25 Cb -0.07 -0.46 -0.01 0.00 0.21 0.00 0.00 66.02 65.68 3klq s SER 25 CO 0.00 0.24 -0.11 0.68 0.41 0.00 0.00 173.24 174.46 3klq s VAL 26 N -0.92 0.90 0.02 3.43 -7.23 0.11 -0.82 120.40 115.89 3klq s VAL 26 Ca 0.14 -0.69 0.07 0.00 -1.81 0.00 0.00 61.98 59.69 3klq s VAL 26 Cb -0.10 -0.79 -0.03 0.00 0.56 0.00 0.00 36.38 36.02 3klq s VAL 26 CO 0.05 0.10 -0.19 0.00 -0.31 0.00 0.00 175.10 174.75 3klq s ALA 27 N -0.55 2.53 -0.20 1.32 0.00 -0.15 -1.04 121.76 123.67 3klq s ALA 27 Ca 0.02 -1.17 -0.03 0.00 0.00 0.00 0.00 51.96 50.78 3klq s ALA 27 Cb -0.06 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 3klq s ALA 27 CO 0.00 0.56 -0.06 -1.17 0.00 0.00 0.00 175.76 175.09 3klq s LEU 28 N -1.26 2.87 0.07 0.00 2.96 -0.28 -2.27 118.68 120.77 3klq s LEU 28 Ca 0.14 -0.37 0.10 0.00 -0.22 0.00 0.00 54.13 53.78 3klq s LEU 28 Cb -0.10 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 3klq s LEU 28 CO 0.04 0.03 -0.26 -1.83 -1.32 0.00 0.00 176.35 173.00 3klq s GLU 29 N 1.19 1.68 -0.27 1.98 -1.05 -0.13 -0.51 118.70 121.59 3klq s GLU 29 Ca 0.02 -1.19 -0.16 0.00 -0.15 0.00 0.00 54.97 53.50 3klq s GLU 29 Cb -0.14 -1.96 -0.03 0.00 -0.44 0.00 0.00 34.13 31.55 3klq s GLU 29 CO -0.02 0.49 0.41 0.45 0.95 0.00 0.00 175.26 177.55 3klq s SER 30 N -1.51 6.31 0.17 0.83 0.15 0.21 -0.91 113.70 118.95 3klq s SER 30 Ca 0.13 0.36 -0.00 0.00 0.70 0.00 0.00 55.95 57.13 3klq s SER 30 Cb -0.10 -2.23 0.05 0.00 -1.71 0.00 0.00 66.02 62.03 3klq s SER 30 CO 0.03 -0.21 1.42 0.40 1.20 0.00 0.00 173.24 176.08 3klq h ILE 31 N 5.38 1.41 -1.00 6.45 1.08 -1.46 0.31 117.51 129.68 3klq h ILE 31 Ca -0.31 -2.27 0.02 0.00 -0.39 0.00 0.00 64.86 61.91 3klq h ILE 31 Cb 1.16 2.22 -0.05 0.00 -3.07 0.00 0.00 36.82 37.07 3klq h ILE 31 CO 0.66 0.67 0.66 0.44 -0.69 0.00 0.00 178.15 179.90 3klq h ASP 32 N 0.22 1.13 0.43 1.72 3.32 -1.92 -2.95 116.42 118.37 3klq h ASP 32 Ca -0.04 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3klq h ASP 32 Cb 1.36 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3klq h ASP 32 CO 0.13 0.80 -1.18 0.00 -1.72 0.00 0.00 179.24 177.27 3klq n ALA 33 N -2.38 3.22 -3.77 3.45 0.00 -1.18 -4.98 120.51 114.87 3klq n ALA 33 Ca 0.12 -0.40 -0.22 0.00 0.00 0.00 0.00 53.44 52.93 3klq n ALA 33 Cb 0.04 -0.95 0.02 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.10 -4.44 -4.02 0.00 2.81 0.10 -5.01 117.12 104.46 3klq n MET 34 Ca 0.01 0.56 -0.11 0.00 -1.81 0.00 0.00 57.70 56.35 3klq n MET 34 Cb 0.47 -4.99 -0.11 0.00 -0.71 0.00 0.00 33.22 27.88 3klq n MET 34 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3klq s LYS 35 N -6.15 0.43 -0.08 0.03 1.02 -0.94 -5.00 119.74 109.05 3klq s LYS 35 Ca 0.01 -0.71 -0.30 0.00 0.02 0.00 0.00 55.97 54.99 3klq s LYS 35 Cb -0.00 -0.08 -0.02 0.00 -0.52 0.00 0.00 37.83 37.21 3klq s LYS 35 CO 0.83 -0.01 1.15 0.99 -0.92 0.00 0.00 175.35 177.40 3klq s THR 36 N -1.55 4.41 -0.08 2.17 2.01 -1.26 -0.62 115.64 120.72 3klq s THR 36 Ca -0.12 1.71 -0.18 0.00 0.31 0.00 0.00 61.69 63.41 3klq s THR 36 Cb -0.09 -4.10 -0.29 0.00 0.01 0.00 0.00 72.50 68.03 3klq s THR 36 CO -0.01 -0.02 0.68 0.40 -0.69 0.00 0.00 174.62 174.99 3klq h ILE 37 N 5.08 1.22 -1.91 1.82 1.08 -1.14 -3.47 117.51 120.19 3klq h ILE 37 Ca -0.32 -2.45 -0.01 0.00 -0.39 0.00 0.00 64.86 61.69 3klq h ILE 37 Cb 1.15 2.90 -0.20 0.00 -3.07 0.00 0.00 36.82 37.60 3klq h ILE 37 CO 0.88 0.70 0.32 -0.70 -0.69 0.00 0.00 178.15 178.66 3klq s GLU 38 N -2.45 0.91 -0.02 2.37 2.12 -1.15 -5.02 118.70 115.45 3klq s GLU 38 Ca -0.18 0.17 0.08 0.00 0.36 0.00 0.00 54.97 55.40 3klq s GLU 38 Cb 0.03 0.43 -0.02 0.00 0.26 0.00 0.00 34.13 34.83 3klq s GLU 38 CO 0.79 -0.29 -0.25 -1.21 -0.54 0.00 0.00 175.26 173.76 3klq s GLU 39 N -1.35 2.01 0.13 4.30 2.02 -1.26 -1.13 118.70 123.43 3klq s GLU 39 Ca -0.07 -0.88 0.07 0.00 0.02 0.00 0.00 54.97 54.11 3klq s GLU 39 Cb -0.00 -1.94 -0.04 0.00 0.10 0.00 0.00 34.13 32.25 3klq s GLU 39 CO 0.05 0.53 -0.16 0.96 0.02 0.00 0.00 175.26 176.66 3klq s ILE 40 N -0.58 1.54 -0.05 -1.63 -4.36 -0.21 -4.96 121.20 110.96 3klq s ILE 40 Ca 0.09 -1.76 0.06 0.00 -0.26 0.00 0.00 60.65 58.79 3klq s ILE 40 Cb -0.10 -1.63 -0.01 0.00 1.25 0.00 0.00 42.46 41.97 3klq s ILE 40 CO -0.01 -0.33 -0.25 0.28 0.24 0.00 0.00 174.94 174.87 3klq s THR 41 N -1.97 2.08 -0.09 8.37 -1.32 -1.26 -0.71 115.64 120.74 3klq s THR 41 Ca 0.11 -1.07 0.04 0.00 -1.21 0.00 0.00 61.69 59.56 3klq s THR 41 Cb -0.06 -1.74 -0.00 0.00 -1.51 0.00 0.00 72.50 69.19 3klq s THR 41 CO 0.04 0.57 -0.23 -0.51 -2.21 0.00 0.00 174.62 172.28 3klq s ILE 42 N -0.25 1.99 -0.63 5.08 2.07 0.34 -4.96 121.20 124.84 3klq s ILE 42 Ca -0.01 -0.99 -0.24 0.00 -1.41 0.00 0.00 60.65 58.00 3klq s ILE 42 Cb -0.13 -1.72 0.05 0.00 0.13 0.00 0.00 42.46 40.79 3klq s ILE 42 CO 0.03 0.55 1.04 0.00 -1.91 0.00 0.00 174.94 174.64 3klq s ALA 43 N 0.27 3.05 0.00 1.50 0.00 -1.26 -1.34 121.76 123.98 3klq s ALA 43 Ca -0.16 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.36 3klq s ALA 43 Cb -0.17 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.04 3klq s ALA 43 CO 0.08 -2.72 0.00 0.41 0.00 0.00 0.00 175.76 173.53 3klq n GLY 44 N 5.24 0.46 3.80 0.00 0.00 0.30 -4.76 105.19 110.22 3klq n GLY 44 Ca 0.01 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 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 7.10 0.00 1.61 0.01 -1.25 -4.76 113.70 112.41 3klq s SER 45 Ca 0.00 1.30 0.00 0.00 1.31 0.00 0.00 55.95 58.56 3klq s SER 45 Cb 0.00 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.85 3klq s SER 45 CO 0.00 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.52 3klq n GLY 46 N 1.75 0.48 3.92 3.44 0.00 -0.53 -4.99 105.19 109.27 3klq n GLY 46 Ca -0.10 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 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 3.49 -0.20 1.61 -0.14 -1.26 -1.00 119.74 120.24 3klq s LYS 47 Ca 0.00 -0.39 -0.20 0.00 -1.36 0.00 0.00 55.97 54.02 3klq s LYS 47 Cb 0.00 -2.93 0.05 0.00 -1.68 0.00 0.00 37.83 33.28 3klq s LYS 47 CO 0.00 0.50 0.56 0.00 -0.76 0.00 0.00 175.35 175.65 3klq s ALA 48 N -1.71 -1.40 0.01 5.17 0.00 -0.21 -4.99 121.76 118.64 3klq s ALA 48 Ca 0.37 1.53 0.04 0.00 0.00 0.00 0.00 51.96 53.90 3klq s ALA 48 Cb -0.12 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 3klq s ALA 48 CO 0.28 -0.27 -0.09 -1.54 0.00 0.00 0.00 175.76 174.14 3klq s SER 49 N 0.16 4.46 0.81 0.00 1.04 -1.26 -0.26 113.70 118.64 3klq s SER 49 Ca -0.01 -0.20 -0.11 0.00 0.48 0.00 0.00 55.95 56.11 3klq s SER 49 Cb -0.04 -0.98 0.08 0.00 0.10 0.00 0.00 66.02 65.18 3klq s SER 49 CO 0.01 0.28 1.10 -0.36 0.98 0.00 0.00 173.24 175.25 3klq s PHE 50 N -0.98 2.40 0.60 5.02 0.08 -0.35 -4.98 117.98 119.76 3klq s PHE 50 Ca 0.17 1.56 -0.18 0.00 0.12 0.00 0.00 56.93 58.59 3klq s PHE 50 Cb -0.11 -3.10 -0.05 0.00 -0.57 0.00 0.00 43.02 39.19 3klq s PHE 50 CO 0.07 -2.03 0.99 0.43 -0.10 0.00 0.00 175.22 174.58 3klq n SER 51 N -3.68 0.88 -4.77 1.36 7.64 -1.26 -4.42 113.62 109.37 3klq n SER 51 Ca 0.09 0.81 -0.40 0.00 1.01 0.00 0.00 58.87 60.38 3klq n SER 51 Cb 0.53 -1.40 -0.02 0.00 -1.01 0.00 0.00 64.21 62.31 3klq n SER 51 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3klq s PRO 52 N -2.79 4.29 0.05 1.43 0.04 -1.26 -4.76 135.00 132.00 3klq s PRO 52 Ca 0.76 2.16 -0.18 0.00 0.04 0.00 0.00 61.00 63.78 3klq s PRO 52 Cb -0.42 -3.00 -0.06 0.00 0.04 0.00 0.00 34.50 31.06 3klq s PRO 52 CO 0.47 -0.22 0.53 -0.51 0.04 0.00 0.00 177.00 177.30 3klq s LEU 53 N -1.93 4.50 -0.12 -3.56 1.43 -0.43 -4.90 118.68 113.68 3klq s LEU 53 Ca 0.50 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 3klq s LEU 53 Cb -0.38 -2.82 -0.02 0.00 0.03 0.00 0.00 46.19 43.00 3klq s LEU 53 CO 0.51 0.27 -0.12 -0.89 0.23 0.00 0.00 176.35 176.34 3klq s THR 54 N -1.00 3.14 -0.05 5.49 2.01 -1.26 -1.53 115.64 122.44 3klq s THR 54 Ca 0.28 -0.64 0.07 0.00 0.31 0.00 0.00 61.69 61.71 3klq s THR 54 Cb -0.19 -2.31 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 3klq s THR 54 CO 0.17 0.53 -0.25 -0.36 -0.69 0.00 0.00 174.62 174.02 3klq s PHE 55 N 0.17 2.41 -0.36 4.92 0.08 -0.03 -4.99 117.98 120.17 3klq s PHE 55 Ca -0.07 -0.63 0.04 0.00 0.12 0.00 0.00 56.93 56.39 3klq s PHE 55 Cb -0.15 -1.57 0.00 0.00 -0.57 0.00 0.00 43.02 40.74 3klq s PHE 55 CO 0.05 -0.16 0.43 0.25 -0.10 0.00 0.00 175.22 175.69 3klq n THR 56 N 2.79 0.00 -3.94 0.64 -2.24 -1.26 -1.68 114.28 108.59 3klq n THR 56 Ca -0.17 -0.47 -0.10 0.00 -2.27 0.00 0.00 64.05 61.04 3klq n THR 56 Cb 0.52 1.05 -0.12 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.73 0.07 0.56 4.28 -4.23 -1.26 -4.76 115.64 109.57 3klq s THR 57 Ca 0.03 -0.61 -0.18 0.00 -1.18 0.00 0.00 61.69 59.75 3klq s THR 57 Cb 0.03 -0.19 -0.05 0.00 1.34 0.00 0.00 72.50 73.63 3klq s THR 57 CO 0.09 -0.34 1.10 0.68 -0.54 0.00 0.00 174.62 175.61 3klq s VAL 58 N -0.99 3.38 -5.00 2.29 -7.23 -1.26 -4.88 120.40 106.70 3klq s VAL 58 Ca -0.11 0.78 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 3klq s VAL 58 Cb -0.07 -3.29 0.00 0.00 0.56 0.00 0.00 36.38 33.58 3klq s VAL 58 CO -0.01 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.14 3klq n GLY 59 N -0.20 -1.54 3.34 2.32 0.00 -0.36 -4.98 105.19 103.78 3klq n GLY 59 Ca 0.11 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 3klq n GLY 59 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3klq s GLN 60 N -1.75 3.27 -0.07 1.61 0.74 -1.26 -0.69 119.66 121.50 3klq s GLN 60 Ca 0.00 -0.73 0.04 0.00 0.05 0.00 0.00 55.36 54.72 3klq s GLN 60 Cb 0.00 -2.55 0.00 0.00 1.10 0.00 0.00 33.01 31.56 3klq s GLN 60 CO 0.00 0.23 -0.20 0.71 -0.55 0.00 0.00 175.29 175.48 3klq s TYR 61 N 0.29 2.05 -0.10 1.67 2.02 -0.10 -4.99 117.35 118.20 3klq s TYR 61 Ca -0.11 -0.72 0.03 0.00 -0.37 0.00 0.00 57.07 55.89 3klq s TYR 61 Cb -0.16 -1.39 -0.01 0.00 -0.40 0.00 0.00 41.96 40.00 3klq s TYR 61 CO 0.06 -0.28 -0.20 0.99 -1.57 0.00 0.00 175.55 174.55 3klq s THR 62 N 0.24 2.49 0.25 -0.71 2.01 -1.26 -0.69 115.64 117.97 3klq s THR 62 Ca -0.11 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.03 3klq s THR 62 Cb -0.15 -1.98 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 3klq s THR 62 CO 0.05 0.55 0.06 -0.31 -0.69 0.00 0.00 174.62 174.28 3klq s TYR 63 N 0.19 1.56 0.07 4.92 2.02 0.29 -1.23 117.35 125.18 3klq s TYR 63 Ca -0.12 -1.07 -0.02 0.00 -0.37 0.00 0.00 57.07 55.49 3klq s TYR 63 Cb -0.16 -0.93 -0.04 0.00 -0.40 0.00 0.00 41.96 40.43 3klq s TYR 63 CO 0.06 -0.21 0.01 -0.98 -1.57 0.00 0.00 175.55 172.86 3klq s ARG 64 N -3.96 0.69 -0.03 -0.62 1.70 -0.09 -1.10 118.95 115.53 3klq s ARG 64 Ca 0.34 -1.24 0.02 0.00 -0.47 0.00 0.00 55.73 54.38 3klq s ARG 64 Cb 0.07 0.23 0.01 0.00 -0.57 0.00 0.00 34.95 34.69 3klq s ARG 64 CO 0.12 -0.15 -0.07 0.08 -1.08 0.00 0.00 175.30 174.20 3klq s VAL 65 N -3.94 0.64 0.21 4.99 1.01 0.21 -0.96 120.40 122.56 3klq s VAL 65 Ca 0.10 -0.24 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 3klq s VAL 65 Cb 0.08 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 3klq s VAL 65 CO -0.08 0.22 0.37 -0.72 0.00 0.00 0.00 175.10 174.89 3klq s TYR 66 N 0.50 0.42 -0.16 5.22 -0.85 -0.96 -1.02 117.35 120.50 3klq s TYR 66 Ca -0.07 -0.77 -0.08 0.00 -0.52 0.00 0.00 57.07 55.63 3klq s TYR 66 Cb -0.11 0.03 -0.04 0.00 0.38 0.00 0.00 41.96 42.22 3klq s TYR 66 CO 0.00 -0.84 0.12 -1.14 -1.52 0.00 0.00 175.55 172.17 3klq s GLN 67 N -4.00 3.77 0.67 -3.49 0.74 -1.26 -0.98 119.66 115.11 3klq s GLN 67 Ca 0.21 -0.20 -0.13 0.00 0.05 0.00 0.00 55.36 55.29 3klq s GLN 67 Cb 0.02 -3.26 0.00 0.00 1.10 0.00 0.00 33.01 30.86 3klq s GLN 67 CO 0.05 0.53 1.07 0.15 -0.55 0.00 0.00 175.29 176.54 3klq s LYS 68 N -0.32 2.94 0.44 1.67 -0.14 -0.00 -4.87 119.74 119.46 3klq s LYS 68 Ca 0.11 1.09 -0.23 0.00 -1.36 0.00 0.00 55.97 55.58 3klq s LYS 68 Cb -0.12 -1.99 -0.10 0.00 -1.68 0.00 0.00 37.83 33.94 3klq s LYS 68 CO 0.01 -1.10 0.87 -2.30 -0.76 0.00 0.00 175.35 172.07 3klq n PRO 69 N -2.80 1.07 -2.22 -1.68 -0.02 -1.26 -4.71 135.00 123.37 3klq n PRO 69 Ca 0.08 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 3klq n PRO 69 Cb 0.53 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 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 -0.86 6.87 0.11 2.55 0.15 -1.26 -4.88 113.70 116.38 3klq s SER 70 Ca 0.65 2.20 -0.14 0.00 0.70 0.00 0.00 55.95 59.35 3klq s SER 70 Cb -0.55 -2.57 -0.06 0.00 -1.71 0.00 0.00 66.02 61.13 3klq s SER 70 CO 0.56 -0.66 1.48 -0.61 1.20 0.00 0.00 173.24 175.21 3klq h GLN 71 N 7.24 0.72 -6.58 5.44 5.75 -1.88 -3.38 115.11 122.42 3klq h GLN 71 Ca -0.40 -0.32 -0.56 0.00 -0.15 0.00 0.00 58.65 57.21 3klq h GLN 71 Cb 1.20 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 29.67 3klq h GLN 71 CO 0.87 0.93 0.94 1.21 -2.65 0.00 0.00 178.83 180.13 3klq s ASN 72 N -6.44 6.65 0.00 -0.69 3.84 -1.26 -4.90 114.94 112.14 3klq s ASN 72 Ca -0.12 0.69 0.18 0.00 0.21 0.00 0.00 52.86 53.82 3klq s ASN 72 Cb 0.09 -2.55 0.83 0.00 -0.55 0.00 0.00 41.25 39.08 3klq s ASN 72 CO 0.82 -1.20 1.54 0.29 -2.79 0.00 0.00 177.10 175.76 3klq n LYS 73 N 7.65 0.15 0.15 0.43 4.76 -1.26 -1.77 118.16 128.26 3klq n LYS 73 Ca 0.13 0.15 0.12 0.00 -2.87 0.00 0.00 58.31 55.84 3klq n LYS 73 Cb 0.48 -1.50 0.53 0.00 -1.84 0.00 0.00 35.03 32.71 3klq n LYS 73 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3klq n ASP 74 N -1.37 0.66 -4.42 4.39 8.00 -1.26 -4.78 116.55 117.78 3klq n ASP 74 Ca 0.07 0.70 -0.29 0.00 0.71 0.00 0.00 54.79 55.98 3klq n ASP 74 Cb 0.17 -0.83 -0.13 0.00 -0.02 0.00 0.00 41.12 40.31 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 -3.41 2.37 -0.28 1.24 2.02 -0.73 -0.01 117.35 118.55 3klq s TYR 75 Ca 0.02 -0.35 -0.10 0.00 -0.37 0.00 0.00 57.07 56.27 3klq s TYR 75 Cb 0.08 -1.27 -0.04 0.00 -0.40 0.00 0.00 41.96 40.33 3klq s TYR 75 CO 0.34 0.35 0.17 -1.14 -1.57 0.00 0.00 175.55 173.70 3klq s GLN 76 N -2.09 3.81 0.66 -0.62 2.00 0.07 -4.64 119.66 118.87 3klq s GLN 76 Ca 0.15 -0.40 -0.17 0.00 -2.00 0.00 0.00 55.36 52.94 3klq s GLN 76 Cb -0.10 -3.60 0.00 0.00 0.80 0.00 0.00 33.01 30.11 3klq s GLN 76 CO 0.07 -0.22 1.24 0.00 -0.50 0.00 0.00 175.29 175.88 3klq s ALA 77 N 1.72 2.33 0.02 1.58 0.00 -1.26 -1.91 121.76 124.23 3klq s ALA 77 Ca 0.07 1.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 3klq s ALA 77 Cb -0.16 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.41 3klq s ALA 77 CO 0.09 -1.58 1.41 0.34 0.00 0.00 0.00 175.76 176.02 3klq s ASP 78 N -1.69 6.83 0.00 0.00 -1.08 -1.26 -4.86 116.67 114.61 3klq s ASP 78 Ca 0.78 2.16 0.19 0.00 -0.52 0.00 0.00 52.55 55.16 3klq s ASP 78 Cb -0.32 -2.56 0.56 0.00 -1.46 0.00 0.00 42.92 39.13 3klq s ASP 78 CO 0.40 -0.72 1.44 0.35 0.52 0.00 0.00 175.17 177.16 3klq n THR 79 N 4.58 0.41 -1.99 1.71 -2.24 -1.26 -4.30 114.28 111.19 3klq n THR 79 Ca 0.13 -0.52 -0.41 0.00 -2.27 0.00 0.00 64.05 60.98 3klq n THR 79 Cb 0.43 0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 69.12 3klq n THR 79 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3klq s THR 80 N -1.59 2.55 -0.08 4.28 -1.32 -1.26 -4.97 115.64 113.26 3klq s THR 80 Ca 0.33 0.49 0.01 0.00 -1.21 0.00 0.00 61.69 61.31 3klq s THR 80 Cb 0.18 -3.31 -0.03 0.00 -1.51 0.00 0.00 72.50 67.83 3klq s THR 80 CO 0.25 0.09 -0.10 -0.69 -2.21 0.00 0.00 174.62 171.96 3klq s VAL 81 N -0.31 3.41 -0.11 5.08 1.01 -1.26 -4.43 120.40 123.79 3klq s VAL 81 Ca 0.57 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.97 3klq s VAL 81 Cb -0.42 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 3klq s VAL 81 CO 0.47 0.58 -0.10 -0.36 0.00 0.00 0.00 175.10 175.69 3klq s PHE 82 N -0.50 2.87 -0.01 5.22 0.08 -0.19 -0.60 117.98 124.85 3klq s PHE 82 Ca 0.07 -0.31 -0.20 0.00 0.12 0.00 0.00 56.93 56.60 3klq s PHE 82 Cb -0.12 -1.80 -0.05 0.00 -0.57 0.00 0.00 43.02 40.48 3klq s PHE 82 CO 0.02 0.03 0.59 -0.51 -0.10 0.00 0.00 175.22 175.25 3klq s ASP 83 N -0.13 6.96 -0.11 1.36 1.01 0.43 -0.62 116.67 125.56 3klq s ASP 83 Ca 0.00 1.14 -0.00 0.00 0.71 0.00 0.00 52.55 54.40 3klq s ASP 83 Cb -0.13 -2.36 0.02 0.00 1.01 0.00 0.00 42.92 41.46 3klq s ASP 83 CO 0.03 0.10 -0.09 -0.69 0.21 0.00 0.00 175.17 174.74 3klq s VAL 84 N -0.18 1.10 -0.13 -1.27 1.01 -0.26 -1.34 120.40 119.32 3klq s VAL 84 Ca 0.31 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 3klq s VAL 84 Cb -0.18 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 3klq s VAL 84 CO 0.17 0.38 -0.05 -0.76 0.00 0.00 0.00 175.10 174.84 3klq s LEU 85 N 1.62 3.22 -0.23 3.92 1.02 0.13 -0.55 118.68 127.81 3klq s LEU 85 Ca 0.04 -0.10 -0.02 0.00 0.02 0.00 0.00 54.13 54.06 3klq s LEU 85 Cb -0.13 -1.76 0.02 0.00 0.02 0.00 0.00 46.19 44.34 3klq s LEU 85 CO -0.08 0.22 -0.07 -0.69 0.02 0.00 0.00 176.35 175.75 3klq s VAL 86 N 0.07 2.91 -0.27 -1.59 1.01 0.14 -0.70 120.40 121.96 3klq s VAL 86 Ca -0.01 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 61.00 3klq s VAL 86 Cb -0.14 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 3klq s VAL 86 CO 0.03 0.29 0.11 -0.47 0.00 0.00 0.00 175.10 175.06 3klq s TYR 87 N 1.36 3.14 -0.23 5.22 5.04 0.45 -0.92 117.35 131.40 3klq s TYR 87 Ca 0.02 -0.30 -0.06 0.00 -2.44 0.00 0.00 57.07 54.30 3klq s TYR 87 Cb -0.16 -2.29 -0.02 0.00 0.35 0.00 0.00 41.96 39.84 3klq s TYR 87 CO -0.05 -0.32 0.02 0.08 -1.34 0.00 0.00 175.55 173.94 3klq s VAL 88 N 1.65 3.97 0.00 3.14 1.01 0.13 -0.73 120.40 129.57 3klq s VAL 88 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.75 3klq s VAL 88 Cb -0.16 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.39 3klq s VAL 88 CO 0.06 0.38 0.00 1.07 0.00 0.00 0.00 175.10 176.61 3klq n THR 89 N 4.78 0.00 -4.09 3.92 5.66 -0.77 -1.22 114.28 122.55 3klq n THR 89 Ca -0.17 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.50 3klq n THR 89 Cb 0.51 0.00 -0.07 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 -6.82 3.31 0.05 1.09 2.02 -1.26 -0.75 117.35 114.99 3klq s TYR 90 Ca 0.00 0.24 -0.00 0.00 -0.37 0.00 0.00 57.07 56.93 3klq s TYR 90 Cb 0.00 -1.76 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 3klq s TYR 90 CO 0.00 0.56 0.06 -0.40 -1.57 0.00 0.00 175.55 174.21 3klq n ASP 91 N 1.29 0.04 0.23 2.29 5.68 -0.22 -4.88 116.55 120.98 3klq n ASP 91 Ca -0.14 -1.05 0.16 0.00 -0.50 0.00 0.00 54.79 53.27 3klq n ASP 91 Cb 0.53 -0.05 0.71 0.00 -1.14 0.00 0.00 41.12 41.17 3klq n ASP 91 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3klq h GLU 92 N 0.00 0.00 -0.18 0.11 4.11 -2.00 -1.42 114.58 115.19 3klq h GLU 92 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 3klq h GLU 92 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3klq h GLU 92 CO 0.02 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.85 3klq n ASP 93 N -2.75 3.06 0.00 3.06 8.00 -1.26 -4.94 116.55 121.72 3klq n ASP 93 Ca 0.00 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.54 3klq n ASP 93 Cb 0.21 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 3klq n ASP 93 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3klq n GLY 94 N 1.40 0.64 3.75 0.44 0.00 -0.54 -5.05 105.19 105.84 3klq n GLY 94 Ca 0.17 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3klq n GLY 94 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3klq s THR 95 N -2.00 4.79 0.02 2.61 2.01 -1.26 -4.78 115.64 117.03 3klq s THR 95 Ca 0.00 1.48 -0.30 0.00 0.31 0.00 0.00 61.69 63.18 3klq s THR 95 Cb 0.00 -4.05 -0.07 0.00 0.01 0.00 0.00 72.50 68.40 3klq s THR 95 CO 0.00 0.39 1.56 -0.22 -0.69 0.00 0.00 174.62 175.66 3klq s LEU 96 N -0.15 4.34 0.13 4.42 2.96 -1.26 -1.06 118.68 128.06 3klq s LEU 96 Ca 0.36 2.30 0.04 0.00 -0.22 0.00 0.00 54.13 56.61 3klq s LEU 96 Cb -0.20 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 3klq s LEU 96 CO 0.21 -0.83 -0.11 0.68 -1.32 0.00 0.00 176.35 174.98 3klq s VAL 97 N 2.80 1.12 -0.13 1.68 -7.23 0.07 -4.85 120.40 113.86 3klq s VAL 97 Ca 0.70 -1.88 0.01 0.00 -1.81 0.00 0.00 61.98 59.00 3klq s VAL 97 Cb -0.35 -1.65 0.02 0.00 0.56 0.00 0.00 36.38 34.95 3klq s VAL 97 CO 0.29 -0.64 -0.16 0.00 -0.31 0.00 0.00 175.10 174.28 3klq s ALA 98 N -2.89 1.87 -0.17 1.32 0.00 -1.26 -1.85 121.76 118.78 3klq s ALA 98 Ca 0.12 -0.88 -0.05 0.00 0.00 0.00 0.00 51.96 51.15 3klq s ALA 98 Cb -0.00 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 3klq s ALA 98 CO 0.01 -0.21 -0.00 0.21 0.00 0.00 0.00 175.76 175.76 3klq s LYS 99 N 1.19 3.76 -0.12 0.00 2.20 0.09 -4.93 119.74 121.93 3klq s LYS 99 Ca -0.01 -0.47 -0.00 0.00 -0.36 0.00 0.00 55.97 55.13 3klq s LYS 99 Cb -0.14 -3.03 -0.02 0.00 -1.51 0.00 0.00 37.83 33.13 3klq s LYS 99 CO -0.06 0.22 -0.11 0.08 -0.36 0.00 0.00 175.35 175.12 3klq s VAL 100 N 0.44 3.23 -0.06 4.02 1.01 -1.26 -0.41 120.40 127.37 3klq s VAL 100 Ca -0.01 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.37 3klq s VAL 100 Cb -0.14 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.91 3klq s VAL 100 CO 0.02 0.53 -0.09 -0.63 0.00 0.00 0.00 175.10 174.94 3klq s ILE 101 N 0.11 0.87 0.09 2.22 1.01 0.12 -4.98 121.20 120.64 3klq s ILE 101 Ca -0.05 -0.32 0.10 0.00 0.00 0.00 0.00 60.65 60.38 3klq s ILE 101 Cb -0.15 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 3klq s ILE 101 CO 0.04 0.30 -0.26 -0.94 0.00 0.00 0.00 174.94 174.08 3klq s SER 102 N 0.80 3.16 0.00 3.58 1.04 -1.26 -0.70 113.70 120.33 3klq s SER 102 Ca -0.13 -0.67 -0.09 0.00 0.48 0.00 0.00 55.95 55.54 3klq s SER 102 Cb -0.15 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.73 3klq s SER 102 CO 0.02 0.20 0.17 -0.13 0.98 0.00 0.00 173.24 174.48 3klq s ARG 103 N -1.69 0.53 0.39 4.02 0.52 -0.45 -0.91 118.95 121.35 3klq s ARG 103 Ca 0.12 -0.38 -0.28 0.00 -0.52 0.00 0.00 55.73 54.68 3klq s ARG 103 Cb -0.10 0.22 -0.10 0.00 0.52 0.00 0.00 34.95 35.49 3klq s ARG 103 CO 0.04 -0.13 1.45 1.03 0.02 0.00 0.00 175.30 177.71 3klq s ARG 104 N -1.44 4.05 0.21 3.54 0.52 -1.26 -0.43 118.95 124.13 3klq s ARG 104 Ca -0.14 2.49 -0.32 0.00 -0.52 0.00 0.00 55.73 57.24 3klq s ARG 104 Cb -0.07 -2.91 -0.13 0.00 0.52 0.00 0.00 34.95 32.36 3klq s ARG 104 CO 0.02 -0.55 1.52 0.00 0.02 0.00 0.00 175.30 176.30 3klq n ALA 105 N 0.35 1.47 0.00 2.13 0.00 0.23 -1.06 120.51 123.62 3klq n ALA 105 Ca 0.02 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3klq n ALA 105 Cb 0.40 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 2.79 3.06 3.85 0.00 0.00 -1.26 -4.98 105.19 108.65 3klq n GLY 106 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 3klq n GLY 106 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3klq s ASP 107 N -1.23 6.80 -0.10 1.61 1.11 -0.23 -5.00 116.67 119.63 3klq s ASP 107 Ca 0.00 1.28 -0.08 0.00 0.18 0.00 0.00 52.55 53.93 3klq s ASP 107 Cb 0.00 -2.37 -0.27 0.00 1.07 0.00 0.00 42.92 41.35 3klq s ASP 107 CO 0.00 -0.17 0.44 1.05 1.18 0.00 0.00 175.17 177.67 3klq h GLU 108 N 2.41 0.30 -6.90 8.23 4.11 -1.96 -3.44 114.58 117.33 3klq h GLU 108 Ca -0.48 -0.51 -0.50 0.00 0.07 0.00 0.00 59.36 57.95 3klq h GLU 108 Cb 1.18 0.19 0.03 0.00 0.50 0.00 0.00 28.75 30.64 3klq h GLU 108 CO 0.66 1.24 0.46 -1.83 0.07 0.00 0.00 179.01 179.61 3klq s GLU 109 N -2.56 4.32 0.64 1.06 1.03 -1.26 -5.01 118.70 116.91 3klq s GLU 109 Ca -0.21 1.72 -0.17 0.00 0.03 0.00 0.00 54.97 56.34 3klq s GLU 109 Cb 0.06 -2.83 -0.01 0.00 -0.80 0.00 0.00 34.13 30.55 3klq s GLU 109 CO 0.79 -0.05 1.19 0.15 -1.33 0.00 0.00 175.26 176.01 3klq s LYS 110 N -2.03 2.73 -0.13 -4.83 3.01 -1.26 -4.49 119.74 112.74 3klq s LYS 110 Ca 0.52 1.74 -0.18 0.00 -1.01 0.00 0.00 55.97 57.05 3klq s LYS 110 Cb -0.28 -1.91 0.04 0.00 -1.01 0.00 0.00 37.83 34.67 3klq s LYS 110 CO 0.36 -1.37 0.47 0.45 0.51 0.00 0.00 175.35 175.77 3klq s SER 111 N -1.86 -0.46 0.58 2.83 0.15 -0.09 -4.95 113.70 109.91 3klq s SER 111 Ca 0.75 0.77 -0.19 0.00 0.70 0.00 0.00 55.95 57.98 3klq s SER 111 Cb -0.28 0.81 -0.04 0.00 -1.71 0.00 0.00 66.02 64.79 3klq s SER 111 CO 0.37 -0.27 1.21 0.00 1.20 0.00 0.00 173.24 175.76 3klq s ALA 112 N -0.22 2.58 -0.47 5.45 0.00 -1.26 -4.13 121.76 123.71 3klq s ALA 112 Ca -0.04 1.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.66 3klq s ALA 112 Cb -0.03 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.66 3klq s ALA 112 CO 0.02 -1.15 1.13 0.42 0.00 0.00 0.00 175.76 176.18 3klq s ILE 113 N -1.57 4.22 -0.00 0.00 1.01 -1.26 -4.97 121.20 118.63 3klq s ILE 113 Ca 0.77 1.22 0.00 0.00 0.00 0.00 0.00 60.65 62.64 3klq s ILE 113 Cb -0.31 -4.59 0.00 0.00 0.01 0.00 0.00 42.46 37.57 3klq s ILE 113 CO 0.34 -0.99 0.00 0.42 0.00 0.00 0.00 174.94 174.71 3klq s THR 114 N 4.41 -0.00 0.03 2.92 -4.23 -1.26 -0.92 115.64 116.58 3klq s THR 114 Ca 0.47 0.02 0.08 0.00 -1.18 0.00 0.00 61.69 61.09 3klq s THR 114 Cb -0.07 -0.02 -0.02 0.00 1.34 0.00 0.00 72.50 73.72 3klq s THR 114 CO 0.31 0.01 -0.22 -0.36 -0.54 0.00 0.00 174.62 173.82 3klq s PHE 115 N 0.13 1.96 -0.49 3.99 0.08 0.16 -4.96 117.98 118.84 3klq s PHE 115 Ca -0.01 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.70 3klq s PHE 115 Cb -0.02 -1.19 0.17 0.00 -0.57 0.00 0.00 43.02 41.42 3klq s PHE 115 CO -0.00 0.07 0.39 1.63 -0.10 0.00 0.00 175.22 177.21 3klq n LYS 116 N 1.97 0.66 -1.77 0.44 5.02 -1.26 -0.65 118.16 122.57 3klq n LYS 116 Ca -0.17 -3.54 -0.39 0.00 -2.02 0.00 0.00 58.31 52.20 3klq n LYS 116 Cb 0.53 -1.82 0.03 0.00 -0.02 0.00 0.00 35.03 33.75 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 -0.41 3.33 -0.06 1.97 0.02 -1.25 -4.55 135.00 134.05 3klq s PRO 117 Ca 0.31 2.33 0.04 0.00 0.02 0.00 0.00 61.00 63.70 3klq s PRO 117 Cb 0.02 -2.41 -0.02 0.00 0.02 0.00 0.00 34.50 32.11 3klq s PRO 117 CO -0.19 -1.07 -0.17 0.15 -0.33 0.00 0.00 177.00 175.39 3klq s LYS 118 N -2.74 2.58 -0.01 5.54 -0.14 -0.81 -4.51 119.74 119.66 3klq s LYS 118 Ca 0.68 -0.76 -0.29 0.00 -1.36 0.00 0.00 55.97 54.24 3klq s LYS 118 Cb -0.42 -2.34 -0.03 0.00 -1.68 0.00 0.00 37.83 33.36 3klq s LYS 118 CO 0.52 0.52 0.94 0.50 -0.76 0.00 0.00 175.35 177.07 3klq s ARG 119 N -0.48 4.55 0.03 1.68 3.52 -1.26 -0.75 118.95 126.24 3klq s ARG 119 Ca 0.06 1.34 0.22 0.00 -0.13 0.00 0.00 55.73 57.22 3klq s ARG 119 Cb -0.12 -3.46 -0.24 0.00 -1.56 0.00 0.00 34.95 29.58 3klq s ARG 119 CO 0.01 -0.02 0.66 1.28 -0.81 0.00 0.00 175.30 176.42 3klq n LEU 120 N 3.84 0.27 -4.39 -0.88 4.77 0.99 -4.93 117.00 116.67 3klq n LEU 120 Ca 0.05 0.05 -0.27 0.00 -0.03 0.00 0.00 56.01 55.81 3klq n LEU 120 Cb 0.51 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 3klq n LEU 120 CO 0.51 -0.03 -0.54 0.68 -1.33 0.00 0.00 177.39 176.69 3klq s VAL 121 N -3.44 2.23 0.50 4.08 -7.23 -1.21 -5.07 120.40 110.25 3klq s VAL 121 Ca -0.05 -1.90 -0.22 0.00 -1.81 0.00 0.00 61.98 58.00 3klq s VAL 121 Cb 0.13 -2.02 -0.08 0.00 0.56 0.00 0.00 36.38 34.98 3klq s VAL 121 CO 0.88 -0.07 1.11 2.29 -0.31 0.00 0.00 175.10 179.00 3klq n LYS 122 N 0.53 1.39 -1.46 4.82 0.00 -1.26 -4.91 118.16 117.26 3klq n LYS 122 Ca -0.15 0.51 -0.36 0.00 -0.00 0.00 0.00 58.31 58.31 3klq n LYS 122 Cb 0.55 -2.24 0.09 0.00 -0.00 0.00 0.00 35.03 33.42 3klq n LYS 122 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3klq n PRO 123 N -0.44 0.70 -2.13 -1.58 -0.02 -1.26 -4.94 135.00 125.33 3klq n PRO 123 Ca 0.10 0.30 -0.42 0.00 -2.02 0.00 0.00 63.50 61.47 3klq n PRO 123 Cb 0.43 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.46 3klq n PRO 123 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3klq s ILE 124 N -1.70 3.06 0.24 4.25 -0.00 -1.26 -4.94 121.20 120.85 3klq s ILE 124 Ca 0.78 0.83 -0.31 0.00 -0.00 0.00 0.00 60.65 61.95 3klq s ILE 124 Cb -0.35 -3.53 -0.12 0.00 -0.00 0.00 0.00 42.46 38.46 3klq s ILE 124 CO 0.46 0.11 1.60 -2.65 -0.00 0.00 0.00 174.94 174.45 3klq n PRO 125 N 3.00 2.54 -1.73 0.37 -0.02 -1.26 -4.97 135.00 132.94 3klq n PRO 125 Ca 0.08 0.91 -0.34 0.00 -2.02 0.00 0.00 63.50 62.13 3klq n PRO 125 Cb 0.42 -2.69 0.06 0.00 -0.02 0.00 0.00 33.50 31.27 3klq n PRO 125 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3klq s PRO 126 N 0.15 2.62 0.94 0.52 0.02 -1.26 -5.01 135.00 132.99 3klq s PRO 126 Ca 0.70 1.66 -0.11 0.00 0.02 0.00 0.00 61.00 63.26 3klq s PRO 126 Cb -0.55 -1.90 0.16 0.00 0.02 0.00 0.00 34.50 32.23 3klq s PRO 126 CO 0.43 -1.44 1.09 -0.98 -0.33 0.00 0.00 177.00 175.77 3klq s ARG 127 N -3.78 0.84 0.19 5.54 1.70 -1.26 -4.90 118.95 117.28 3klq s ARG 127 Ca 0.73 1.08 -0.33 0.00 -0.47 0.00 0.00 55.73 56.74 3klq s ARG 127 Cb -0.26 -1.74 -0.13 0.00 -0.57 0.00 0.00 34.95 32.24 3klq s ARG 127 CO 0.40 -2.60 1.60 0.94 -1.08 0.00 0.00 175.30 174.55 3klq n GLN 128 N -4.17 2.32 -0.69 3.89 7.27 -1.26 -4.92 117.38 119.83 3klq n GLN 128 Ca 0.08 0.84 -0.31 0.00 0.07 0.00 0.00 57.00 57.68 3klq n GLN 128 Cb 0.54 -2.61 0.18 0.00 2.41 0.00 0.00 30.24 30.75 3klq n GLN 128 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 3klq s PRO 129 N 0.78 0.81 0.94 3.69 0.02 -1.26 -4.99 135.00 134.99 3klq s PRO 129 Ca 0.76 1.47 -0.12 0.00 0.02 0.00 0.00 61.00 63.13 3klq s PRO 129 Cb -0.62 -1.71 0.16 0.00 0.02 0.00 0.00 34.50 32.34 3klq s PRO 129 CO 0.38 -2.74 1.10 0.16 -0.33 0.00 0.00 177.00 175.56 3klq s ASP 130 N -2.67 3.12 0.73 2.53 3.84 -1.26 -5.00 116.67 117.97 3klq s ASP 130 Ca 0.67 1.26 -0.16 0.00 -0.00 0.00 0.00 52.55 54.32 3klq s ASP 130 Cb -0.23 -1.93 0.03 0.00 -1.38 0.00 0.00 42.92 39.42 3klq s ASP 130 CO 0.59 -2.83 1.18 0.49 -0.00 0.00 0.00 175.17 174.60 3klq n PHE 131 N -3.98 1.38 -1.66 2.11 3.72 -1.26 -4.91 117.46 112.86 3klq n PHE 131 Ca 0.06 0.41 -0.38 0.00 -0.05 0.00 0.00 57.45 57.49 3klq n PHE 131 Cb 0.57 -2.16 0.05 0.00 -0.94 0.00 0.00 39.48 37.00 3klq n PHE 131 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3klq n PRO 132 N -2.46 1.16 -0.04 -1.08 -0.02 -1.26 -4.92 135.00 126.37 3klq n PRO 132 Ca 0.14 0.44 0.04 0.00 -2.02 0.00 0.00 63.50 62.10 3klq n PRO 132 Cb 0.49 -2.30 0.06 0.00 -0.02 0.00 0.00 33.50 31.74 3klq n PRO 132 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3klq n LYS 133 N -1.01 1.07 -4.37 -0.52 4.76 -1.26 -4.98 118.16 111.85 3klq n LYS 133 Ca 0.13 -1.30 -0.26 0.00 -2.87 0.00 0.00 58.31 54.01 3klq n LYS 133 Cb 0.46 -1.17 -0.10 0.00 -1.84 0.00 0.00 35.03 32.38 3klq n LYS 133 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3klq s THR 134 N -0.79 2.76 0.22 -0.18 -4.23 -1.26 -5.09 115.64 107.07 3klq s THR 134 Ca 0.12 -1.93 -0.32 0.00 -1.18 0.00 0.00 61.69 58.38 3klq s THR 134 Cb 0.07 -2.37 -0.13 0.00 1.34 0.00 0.00 72.50 71.42 3klq s THR 134 CO 0.11 -0.16 1.59 -2.65 -0.54 0.00 0.00 174.62 172.96 3klq n PRO 135 N -0.00 2.45 -2.37 3.99 -0.02 -1.26 -4.96 135.00 132.83 3klq n PRO 135 Ca -0.11 0.88 -0.33 0.00 -2.02 0.00 0.00 63.50 61.92 3klq n PRO 135 Cb 0.56 -2.65 -0.02 0.00 -0.02 0.00 0.00 33.50 31.38 3klq n PRO 135 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3klq s LEU 136 N 0.47 3.71 0.37 2.45 1.43 -1.26 -4.97 118.68 120.88 3klq s LEU 136 Ca 0.72 1.86 -0.27 0.00 -1.03 0.00 0.00 54.13 55.41 3klq s LEU 136 Cb -0.58 -4.55 -0.11 0.00 0.03 0.00 0.00 46.19 40.98 3klq s LEU 136 CO 0.41 -0.89 1.22 -2.65 0.23 0.00 0.00 176.35 174.67 3klq n PRO 137 N -1.37 1.90 -2.02 1.29 -0.02 -1.26 -4.91 135.00 128.60 3klq n PRO 137 Ca 0.09 0.67 -0.39 0.00 -2.02 0.00 0.00 63.50 61.85 3klq n PRO 137 Cb 0.53 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3klq n PRO 137 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3klq s LEU 138 N -1.02 4.10 0.00 2.45 2.96 -1.26 -5.32 118.68 120.60 3klq s LEU 138 Ca 0.58 2.63 0.30 0.00 -0.22 0.00 0.00 54.13 57.42 3klq s LEU 138 Cb -0.56 -4.03 1.42 0.00 0.50 0.00 0.00 46.19 43.52 3klq s LEU 138 CO 0.60 -1.01 1.95 0.00 -1.32 0.00 0.00 176.35 176.57