#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kqa s MET 3 N 0.00 0.40 1.16 1.20 -1.94 -1.26 -5.15 119.30 113.71 1kqa s MET 3 Ca 0.00 0.87 -0.17 0.00 -1.71 0.00 0.00 55.69 54.68 1kqa s MET 3 Cb 0.00 0.51 0.18 0.00 2.01 0.00 0.00 34.83 37.53 1kqa s MET 3 CO 0.00 -0.29 0.34 -2.30 -0.01 0.00 0.00 175.02 172.76 1kqa n PRO 4 N 5.31 -2.10 0.20 2.03 -0.02 -1.26 -4.72 135.00 134.44 1kqa n PRO 4 Ca -0.07 -0.59 0.06 0.00 -2.02 0.00 0.00 63.50 60.87 1kqa n PRO 4 Cb 0.52 -1.83 0.39 0.00 -0.02 0.00 0.00 33.50 32.55 1kqa n PRO 4 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1kqa h MET 5 N -2.37 0.00 -0.28 -0.52 2.86 -1.97 -2.06 114.93 110.59 1kqa h MET 5 Ca -0.56 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.08 1kqa h MET 5 Cb 1.33 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.98 1kqa h MET 5 CO 0.41 0.35 0.15 1.15 1.06 0.00 0.00 176.91 180.03 1kqa h THR 6 N 0.00 1.13 0.00 2.22 2.02 -1.95 -1.76 112.91 114.57 1kqa h THR 6 Ca -0.00 -0.36 -0.12 0.00 0.77 0.00 0.00 66.41 66.70 1kqa h THR 6 Cb 0.79 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1kqa h THR 6 CO 0.05 0.13 -0.56 -0.33 0.37 0.00 0.00 175.52 175.18 1kqa h GLU 7 N 0.34 0.00 -0.36 6.66 5.08 -1.90 -3.13 114.58 121.28 1kqa h GLU 7 Ca 0.10 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.33 1kqa h GLU 7 Cb 0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1kqa h GLU 7 CO -0.02 0.56 -0.32 0.00 -1.00 0.00 0.00 179.01 178.24 1kqa h ARG 8 N 0.00 0.78 -0.41 2.33 3.08 -0.85 -0.38 114.38 118.93 1kqa h ARG 8 Ca -0.01 -0.37 -0.05 0.00 0.07 0.00 0.00 59.98 59.63 1kqa h ARG 8 Cb 1.05 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1kqa h ARG 8 CO 0.07 0.99 0.05 0.82 -1.07 0.00 0.00 179.97 180.84 1kqa h ILE 9 N 0.66 1.25 -0.57 2.04 2.04 -1.32 -0.14 117.51 121.47 1kqa h ILE 9 Ca 0.07 -0.90 -0.06 0.00 1.00 0.00 0.00 64.86 64.97 1kqa h ILE 9 Cb 0.85 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1kqa h ILE 9 CO 0.07 0.31 0.12 -0.09 0.00 0.00 0.00 178.15 178.57 1kqa h ARG 10 N 0.54 0.88 0.00 2.37 2.43 -1.48 -2.49 114.38 116.64 1kqa h ARG 10 Ca 0.12 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1kqa h ARG 10 Cb 0.40 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1kqa h ARG 10 CO 0.01 0.80 0.00 0.00 -1.51 0.00 0.00 179.97 179.27 1kqa n ALA 11 N -2.46 2.07 -0.64 2.80 0.00 -0.16 -4.89 120.51 117.23 1kqa n ALA 11 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1kqa n ALA 11 Cb 0.24 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1kqa n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kqa n GLY 12 N 0.89 0.80 3.87 0.00 0.00 -0.52 -5.04 105.19 105.19 1kqa n GLY 12 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1kqa n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kqa s LYS 13 N -0.36 3.27 0.66 1.61 1.02 -0.18 -4.64 119.74 121.12 1kqa s LYS 13 Ca 0.00 0.63 -0.16 0.00 0.02 0.00 0.00 55.97 56.46 1kqa s LYS 13 Cb 0.00 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 1kqa s LYS 13 CO 0.00 -0.78 1.19 -0.51 -0.92 0.00 0.00 175.35 174.34 1kqa s LEU 14 N -5.26 3.47 0.37 3.17 1.43 -1.26 -4.36 118.68 116.23 1kqa s LEU 14 Ca 0.56 2.32 -0.17 0.00 -1.03 0.00 0.00 54.13 55.82 1kqa s LEU 14 Cb -0.11 -4.59 0.05 0.00 0.03 0.00 0.00 46.19 41.57 1kqa s LEU 14 CO 0.53 -1.90 0.78 0.72 0.23 0.00 0.00 176.35 176.71 1kqa s PHE 15 N -1.88 0.07 0.01 0.29 -0.71 0.00 -4.84 117.98 110.92 1kqa s PHE 15 Ca 0.75 -0.71 -0.03 0.00 -1.04 0.00 0.00 56.93 55.90 1kqa s PHE 15 Cb -0.28 0.82 -0.01 0.00 -1.21 0.00 0.00 43.02 42.34 1kqa s PHE 15 CO 0.40 -1.52 0.04 0.95 -1.34 0.00 0.00 175.22 173.75 1kqa s THR 16 N -2.58 0.09 -0.43 -4.49 -4.23 -1.26 -1.95 115.64 100.79 1kqa s THR 16 Ca 0.15 -0.72 0.04 0.00 -1.18 0.00 0.00 61.69 59.98 1kqa s THR 16 Cb -0.05 -0.30 0.47 0.00 1.34 0.00 0.00 72.50 73.96 1kqa s THR 16 CO 0.11 -0.40 1.56 -0.90 -0.54 0.00 0.00 174.62 174.45 1kqa n ASP 17 N 1.73 5.36 -2.19 3.99 5.68 -1.26 -4.70 116.55 125.16 1kqa n ASP 17 Ca -0.22 -3.77 -0.30 0.00 -0.50 0.00 0.00 54.79 50.00 1kqa n ASP 17 Cb 0.56 -0.63 0.09 0.00 -1.14 0.00 0.00 41.12 40.00 1kqa n ASP 17 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1kqa n MET 18 N -0.88 2.72 -3.84 0.11 2.81 -1.26 -3.65 117.12 113.14 1kqa n MET 18 Ca 0.49 -3.39 -0.04 0.00 -1.81 0.00 0.00 57.70 52.95 1kqa n MET 18 Cb 0.90 -2.24 0.01 0.00 -0.71 0.00 0.00 33.22 31.18 1kqa n MET 18 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1kqa n GLU 20 N -0.61 -1.33 -0.34 0.00 1.02 -1.26 -2.58 120.64 115.54 1kqa n GLU 20 Ca -0.05 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 58.04 1kqa n GLU 20 Cb 0.60 -5.33 0.00 0.00 -0.02 0.00 0.00 31.44 26.69 1kqa n GLU 20 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kqa n GLY 21 N -0.95 2.21 0.44 0.62 0.00 -1.26 -4.92 105.19 101.33 1kqa n GLY 21 Ca -0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 1kqa n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kqa h LEU 22 N 0.00 -1.37 -0.88 0.99 3.38 -1.77 0.15 115.31 115.82 1kqa h LEU 22 Ca 0.00 0.15 0.23 0.00 0.09 0.00 0.00 57.88 58.35 1kqa h LEU 22 Cb 0.00 0.51 -0.15 0.00 0.09 0.00 0.00 40.66 41.12 1kqa h LEU 22 CO 0.00 -0.51 0.18 -0.65 0.09 0.00 0.00 178.44 177.55 1kqa h PRO 23 N -0.69 0.16 -0.04 1.13 0.11 -1.79 0.52 132.00 131.40 1kqa h PRO 23 Ca 0.01 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.02 1kqa h PRO 23 Cb 0.71 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 1kqa h PRO 23 CO -0.27 0.10 -0.42 0.93 -0.21 0.00 0.00 178.00 178.14 1kqa h GLU 24 N 0.16 0.09 -0.31 1.05 3.07 -1.54 -1.73 114.58 115.37 1kqa h GLU 24 Ca 0.55 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.31 1kqa h GLU 24 Cb 1.10 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 1kqa h GLU 24 CO -0.69 0.49 -0.04 -0.22 -1.40 0.00 0.00 179.01 177.15 1kqa h LYS 25 N 0.07 0.58 -0.82 2.33 3.64 0.26 -2.79 116.57 119.84 1kqa h LYS 25 Ca 0.00 -0.20 0.08 0.00 -1.27 0.00 0.00 60.65 59.26 1kqa h LYS 25 Cb 0.77 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.48 1kqa h LYS 25 CO 0.06 0.74 0.48 0.00 -2.27 0.00 0.00 179.45 178.46 1kqa h ARG 26 N 0.36 0.81 -0.48 1.90 3.08 -0.17 -2.56 114.38 117.33 1kqa h ARG 26 Ca 0.08 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1kqa h ARG 26 Cb 0.50 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1kqa h ARG 26 CO 0.02 0.54 0.22 1.25 -1.07 0.00 0.00 179.97 180.93 1kqa h LEU 27 N 0.84 0.64 -0.54 3.04 5.85 -1.25 -1.09 115.31 122.80 1kqa h LEU 27 Ca 0.38 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 59.00 1kqa h LEU 27 Cb 0.30 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1kqa h LEU 27 CO -0.22 0.61 0.29 0.03 -0.34 0.00 0.00 178.44 178.80 1kqa h ARG 28 N 0.64 0.55 -0.38 1.25 -0.00 -1.19 -1.03 114.38 114.21 1kqa h ARG 28 Ca 0.16 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.98 59.46 1kqa h ARG 28 Cb 0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 29.97 29.98 1kqa h ARG 28 CO -0.02 0.36 -0.34 0.78 0.00 0.00 0.00 179.97 180.76 1kqa h GLY 29 N 0.56 0.99 2.00 0.04 0.00 -1.24 -2.83 103.07 102.59 1kqa h GLY 29 Ca 0.23 -0.98 0.00 0.00 0.00 0.00 0.00 47.33 46.58 1kqa h GLY 29 CO -0.14 0.89 0.00 0.50 0.00 0.00 0.00 176.54 177.79 1kqa h LYS 30 N 0.72 0.00 -0.02 4.80 1.57 -1.04 -0.17 116.57 122.42 1kqa h LYS 30 Ca 0.07 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 1kqa h LYS 30 Cb 0.92 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.25 1kqa h LYS 30 CO 0.09 0.00 -0.61 1.15 -0.57 0.00 0.00 179.45 179.50 1kqa h THR 31 N 0.00 1.40 -0.13 -0.16 2.02 -0.94 -0.30 112.91 114.81 1kqa h THR 31 Ca 0.00 -2.04 -0.15 0.00 0.77 0.00 0.00 66.41 64.99 1kqa h THR 31 Cb 0.50 2.50 -0.01 0.00 -1.74 0.00 0.00 68.15 69.40 1kqa h THR 31 CO 0.00 0.60 -0.56 -0.07 0.37 0.00 0.00 175.52 175.86 1kqa h LEU 32 N -0.02 0.45 0.14 2.58 3.38 -1.39 -2.22 115.31 118.23 1kqa h LEU 32 Ca -0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1kqa h LEU 32 Cb 1.31 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1kqa h LEU 32 CO 0.12 0.92 -0.08 -0.03 0.09 0.00 0.00 178.44 179.46 1kqa h MET 33 N 0.31 -0.20 -0.11 1.13 4.05 -1.01 0.28 114.93 119.38 1kqa h MET 33 Ca 0.00 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.48 1kqa h MET 33 Cb 1.08 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.87 1kqa h MET 33 CO 0.10 -0.14 -0.23 -0.92 0.23 0.00 0.00 176.91 175.95 1kqa h TYR 34 N -0.21 -0.63 -0.98 1.39 3.20 -0.86 0.18 116.97 119.06 1kqa h TYR 34 Ca -0.02 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.96 1kqa h TYR 34 Cb 0.17 0.29 -0.07 0.00 1.54 0.00 0.00 36.73 38.67 1kqa h TYR 34 CO -0.08 -0.32 0.63 0.93 -1.64 0.00 0.00 178.16 177.69 1kqa h GLU 35 N -0.31 1.07 0.08 1.82 5.08 -1.16 -1.12 114.58 120.03 1kqa h GLU 35 Ca 0.09 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1kqa h GLU 35 Cb 0.45 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1kqa h GLU 35 CO -0.28 0.71 -0.04 0.35 -1.00 0.00 0.00 179.01 178.74 1kqa h PHE 36 N 1.10 -0.09 0.00 4.33 3.57 0.07 -2.77 116.94 123.14 1kqa h PHE 36 Ca 0.44 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.91 1kqa h PHE 36 Cb 0.26 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 1kqa h PHE 36 CO -0.00 0.21 -0.11 -0.91 -2.23 0.00 0.00 178.31 175.26 1kqa h ASN 37 N -0.40 0.00 -0.49 0.41 2.35 -0.17 -2.69 115.58 114.59 1kqa h ASN 37 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1kqa h ASN 37 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1kqa h ASN 37 CO 0.02 0.11 0.00 1.41 -1.65 0.00 0.00 177.43 177.32 1kqa n HIS 38 N -4.20 1.26 -2.82 1.19 8.25 -0.47 -4.78 115.22 113.65 1kqa n HIS 38 Ca -0.03 -0.68 -0.35 0.00 -0.26 0.00 0.00 57.72 56.40 1kqa n HIS 38 Cb 0.19 -0.26 -0.07 0.00 1.12 0.00 0.00 29.99 30.97 1kqa n HIS 38 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1kqa s SER 39 N -1.17 7.17 0.28 0.41 1.04 -1.02 -5.03 113.70 115.38 1kqa s SER 39 Ca 0.45 1.74 -0.29 0.00 0.48 0.00 0.00 55.95 58.33 1kqa s SER 39 Cb 0.31 -2.55 -0.10 0.00 0.10 0.00 0.00 66.02 63.78 1kqa s SER 39 CO 0.18 -0.17 1.16 -2.28 0.98 0.00 0.00 173.24 173.12 1kqa s HIS 40 N -1.82 3.43 0.34 5.02 2.46 -1.26 -4.90 115.29 118.57 1kqa s HIS 40 Ca 0.54 1.60 0.18 0.00 0.47 0.00 0.00 55.06 57.85 1kqa s HIS 40 Cb -0.15 -3.40 0.99 0.00 -0.13 0.00 0.00 32.58 29.89 1kqa s HIS 40 CO 0.20 -0.95 1.50 -1.00 -2.47 0.00 0.00 174.74 172.02 1kqa h PRO 41 N 3.90 0.00 0.00 2.88 0.13 -1.99 0.28 132.00 137.20 1kqa h PRO 41 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1kqa h PRO 41 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1kqa h PRO 41 CO 0.68 0.00 -0.73 0.66 -0.23 0.00 0.00 178.00 178.38 1kqa h SER 42 N 0.00 0.00 0.00 1.44 4.64 -2.04 -3.38 113.55 114.21 1kqa h SER 42 Ca 0.00 -0.13 -0.38 0.00 -0.47 0.00 0.00 61.79 60.81 1kqa h SER 42 Cb 0.79 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1kqa h SER 42 CO 0.00 0.06 2.35 -0.62 -0.87 0.00 0.00 176.83 177.75 1kqa n GLU 43 N -2.37 2.24 0.27 4.77 1.02 0.97 -4.60 120.64 122.95 1kqa n GLU 43 Ca 0.02 -1.45 -0.16 0.00 -0.02 0.00 0.00 57.16 55.55 1kqa n GLU 43 Cb 0.48 -2.40 -0.08 0.00 -0.02 0.00 0.00 31.44 29.42 1kqa n GLU 43 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1kqa h VAL 44 N 3.16 0.48 0.17 2.62 2.07 -1.81 -1.43 116.25 121.51 1kqa h VAL 44 Ca 0.50 0.00 0.01 0.00 0.82 0.00 0.00 66.70 68.03 1kqa h VAL 44 Cb 0.33 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1kqa h VAL 44 CO 1.30 0.00 -0.43 -0.33 0.02 0.00 0.00 177.57 178.13 1kqa h GLU 45 N -0.67 -0.67 -0.68 1.57 3.07 -1.97 -1.93 114.58 113.30 1kqa h GLU 45 Ca -0.06 0.05 0.15 0.00 -0.50 0.00 0.00 59.36 58.99 1kqa h GLU 45 Cb 0.53 0.15 -0.11 0.00 -0.84 0.00 0.00 28.75 28.48 1kqa h GLU 45 CO 0.09 -0.45 0.03 -0.22 -1.40 0.00 0.00 179.01 177.06 1kqa h LYS 46 N -0.70 0.13 -0.67 2.33 1.63 -1.92 -0.47 116.57 116.91 1kqa h LYS 46 Ca 0.01 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.83 1kqa h LYS 46 Cb 0.70 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.27 1kqa h LYS 46 CO -0.22 0.09 0.44 0.00 -3.45 0.00 0.00 179.45 176.31 1kqa h ARG 47 N 0.14 0.80 -0.31 1.90 3.08 -0.80 0.58 114.38 119.78 1kqa h ARG 47 Ca 0.36 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.21 1kqa h ARG 47 Cb 0.61 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 1kqa h ARG 47 CO -0.57 0.53 -0.40 0.93 -1.07 0.00 0.00 179.97 179.39 1kqa h GLU 48 N 0.83 0.81 -0.06 0.04 5.08 -0.36 -2.83 114.58 118.09 1kqa h GLU 48 Ca 0.26 -0.46 -0.13 0.00 -1.00 0.00 0.00 59.36 58.03 1kqa h GLU 48 Cb 0.03 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1kqa h GLU 48 CO -0.07 1.10 -0.55 0.66 -1.00 0.00 0.00 179.01 179.15 1kqa h SER 49 N 0.58 0.19 0.23 1.42 4.64 -0.58 -2.91 113.55 117.13 1kqa h SER 49 Ca 0.04 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.15 1kqa h SER 49 Cb 1.00 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1kqa h SER 49 CO 0.09 0.71 -0.41 -0.07 -0.87 0.00 0.00 176.83 176.28 1kqa h LEU 50 N 0.13 0.25 0.08 5.97 3.38 -0.88 -2.64 115.31 121.60 1kqa h LEU 50 Ca -0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1kqa h LEU 50 Cb 1.02 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1kqa h LEU 50 CO 0.08 0.64 -0.04 0.40 0.09 0.00 0.00 178.44 179.61 1kqa h ILE 51 N 0.20 1.04 0.00 1.22 2.04 -1.30 0.51 117.51 121.21 1kqa h ILE 51 Ca 0.02 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1kqa h ILE 51 Cb 0.81 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1kqa h ILE 51 CO 0.06 0.10 0.00 0.11 0.00 0.00 0.00 178.15 178.43 1kqa h LYS 52 N -0.29 0.00 0.00 2.37 1.57 -1.46 -2.59 116.57 116.17 1kqa h LYS 52 Ca -0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1kqa h LYS 52 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1kqa h LYS 52 CO 0.02 0.00 -0.46 0.93 -0.57 0.00 0.00 179.45 179.37 1kqa h GLU 53 N 0.00 0.00 0.04 3.15 5.08 -1.05 -3.41 114.58 118.39 1kqa h GLU 53 Ca 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1kqa h GLU 53 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1kqa h GLU 53 CO 0.00 0.79 -0.06 0.52 -1.00 0.00 0.00 179.01 179.26 1kqa h MET 54 N -1.00 -0.13 -6.66 2.33 2.86 0.39 -3.45 114.93 109.28 1kqa h MET 54 Ca -0.12 0.01 -0.49 0.00 -2.06 0.00 0.00 59.70 57.04 1kqa h MET 54 Cb 0.94 0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.64 1kqa h MET 54 CO -0.07 -0.09 -0.06 -0.06 1.06 0.00 0.00 176.91 177.69 1kqa s PHE 55 N -6.17 3.51 0.07 -0.22 0.08 -1.07 -3.15 117.98 111.03 1kqa s PHE 55 Ca -0.14 0.63 -0.23 0.00 0.12 0.00 0.00 56.93 57.31 1kqa s PHE 55 Cb 0.07 -2.12 -0.15 0.00 -0.57 0.00 0.00 43.02 40.25 1kqa s PHE 55 CO 0.66 0.00 1.63 0.00 -0.10 0.00 0.00 175.22 177.41 1kqa h ALA 56 N 0.93 0.04 -3.48 5.36 0.00 -1.03 -3.45 119.26 117.63 1kqa h ALA 56 Ca -0.48 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.15 1kqa h ALA 56 Cb 1.20 -0.01 -0.25 0.00 0.00 0.00 0.00 17.79 18.73 1kqa h ALA 56 CO 0.63 -0.40 -0.72 0.99 0.00 0.00 0.00 179.25 179.76 1kqa s THR 57 N -5.71 0.09 -0.07 0.00 2.01 -1.12 -5.02 115.64 105.82 1kqa s THR 57 Ca -0.14 -0.36 -0.03 0.00 0.31 0.00 0.00 61.69 61.48 1kqa s THR 57 Cb 0.05 -0.14 0.04 0.00 0.01 0.00 0.00 72.50 72.46 1kqa s THR 57 CO 0.67 -0.17 0.15 -0.69 -0.69 0.00 0.00 174.62 173.89 1kqa s VAL 58 N -0.54 -0.08 0.88 3.82 1.01 -1.24 -0.61 120.40 123.65 1kqa s VAL 58 Ca -0.05 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 1kqa s VAL 58 Cb -0.04 -0.25 0.16 0.00 0.00 0.00 0.00 36.38 36.25 1kqa s VAL 58 CO -0.00 0.08 1.22 -0.83 0.00 0.00 0.00 175.10 175.57 1kqa s GLY 59 N 1.31 1.74 0.53 4.51 0.00 0.11 -4.97 107.32 110.55 1kqa s GLY 59 Ca -0.08 -1.14 -0.21 0.00 0.00 0.00 0.00 44.72 43.29 1kqa s GLY 59 CO -0.06 -0.49 1.21 -1.83 0.00 0.00 0.00 173.10 171.93 1kqa s GLU 60 N -5.67 3.33 -0.76 2.90 -1.05 -1.26 -3.94 118.70 112.24 1kqa s GLU 60 Ca 0.69 1.84 -0.03 0.00 -0.15 0.00 0.00 54.97 57.33 1kqa s GLU 60 Cb -0.06 -2.16 0.00 0.00 -0.44 0.00 0.00 34.13 31.48 1kqa s GLU 60 CO 0.50 -0.93 0.42 0.09 0.95 0.00 0.00 175.26 176.29 1kqa n ASN 61 N -1.08 -4.02 -4.81 0.83 3.02 -1.26 -1.47 115.26 106.47 1kqa n ASN 61 Ca 0.11 -0.19 -0.38 0.00 -0.03 0.00 0.00 54.58 54.08 1kqa n ASN 61 Cb 0.49 -2.80 -0.06 0.00 -0.61 0.00 0.00 39.78 36.80 1kqa n ASN 61 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kqa s ALA 62 N -2.97 3.57 -0.03 5.41 0.00 -1.25 -3.65 121.76 122.84 1kqa s ALA 62 Ca 0.21 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 1kqa s ALA 62 Cb -0.09 -2.66 0.03 0.00 0.00 0.00 0.00 23.12 20.40 1kqa s ALA 62 CO 0.26 0.39 0.04 -0.46 0.00 0.00 0.00 175.76 175.99 1kqa s TRP 63 N -1.17 0.08 -0.15 0.00 -0.11 0.17 -4.95 118.94 112.81 1kqa s TRP 63 Ca 0.31 0.16 0.00 0.00 1.22 0.00 0.00 56.10 57.80 1kqa s TRP 63 Cb -0.19 -0.36 0.02 0.00 -1.50 0.00 0.00 33.47 31.44 1kqa s TRP 63 CO 0.20 -0.14 -0.14 0.08 -4.62 0.00 0.00 176.95 172.33 1kqa s VAL 64 N 1.52 1.59 -0.31 5.86 1.01 -1.26 -0.48 120.40 128.32 1kqa s VAL 64 Ca -0.03 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.03 1kqa s VAL 64 Cb -0.13 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.78 1kqa s VAL 64 CO -0.03 0.46 1.01 -1.61 0.00 0.00 0.00 175.10 174.94 1kqa s GLU 65 N 1.48 4.05 0.74 2.72 0.41 -0.55 -5.00 118.70 122.55 1kqa s GLU 65 Ca 0.05 0.98 -0.14 0.00 -0.41 0.00 0.00 54.97 55.45 1kqa s GLU 65 Cb -0.13 -3.73 0.04 0.00 -1.78 0.00 0.00 34.13 28.53 1kqa s GLU 65 CO -0.11 -0.85 1.17 -2.14 -0.49 0.00 0.00 175.26 172.85 1kqa s PRO 66 N 3.49 2.17 0.53 0.39 0.02 -1.26 -3.94 135.00 136.40 1kqa s PRO 66 Ca 0.43 1.61 -0.10 0.00 0.02 0.00 0.00 61.00 62.96 1kqa s PRO 66 Cb -0.13 -1.85 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 1kqa s PRO 66 CO 0.14 -1.78 0.91 -1.25 -0.33 0.00 0.00 177.00 174.70 1kqa s PRO 67 N -4.10 3.65 -0.00 5.54 0.04 -1.26 -4.53 135.00 134.34 1kqa s PRO 67 Ca 0.71 0.56 0.06 0.00 0.04 0.00 0.00 61.00 62.37 1kqa s PRO 67 Cb -0.26 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.05 1kqa s PRO 67 CO 0.46 -0.35 -0.17 0.54 0.04 0.00 0.00 177.00 177.52 1kqa s VAL 68 N -2.86 1.38 -0.05 -0.36 0.11 -1.26 -1.44 120.40 115.91 1kqa s VAL 68 Ca 0.53 -0.81 0.03 0.00 -2.93 0.00 0.00 61.98 58.79 1kqa s VAL 68 Cb -0.11 -1.16 0.01 0.00 -1.53 0.00 0.00 36.38 33.59 1kqa s VAL 68 CO 0.45 0.33 -0.12 -0.31 -3.33 0.00 0.00 175.10 172.12 1kqa s TYR 69 N -0.49 1.37 0.28 1.54 2.02 -0.18 -4.90 117.35 116.99 1kqa s TYR 69 Ca 0.06 -0.44 -0.15 0.00 -0.37 0.00 0.00 57.07 56.17 1kqa s TYR 69 Cb -0.07 -0.98 0.01 0.00 -0.40 0.00 0.00 41.96 40.52 1kqa s TYR 69 CO -0.00 -0.20 0.59 -0.59 -1.57 0.00 0.00 175.55 173.77 1kqa s PHE 70 N 0.42 0.21 -0.19 2.71 -0.12 -1.26 0.65 117.98 120.40 1kqa s PHE 70 Ca -0.09 -0.62 -0.12 0.00 -0.05 0.00 0.00 56.93 56.04 1kqa s PHE 70 Cb -0.13 0.41 -0.21 0.00 -0.63 0.00 0.00 43.02 42.46 1kqa s PHE 70 CO 0.02 -1.14 0.15 0.43 -0.05 0.00 0.00 175.22 174.63 1kqa n SER 71 N -0.59 1.99 0.00 1.98 7.64 -1.18 -4.79 113.62 118.68 1kqa n SER 71 Ca -0.03 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1kqa n SER 71 Cb 0.61 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.97 1kqa n SER 71 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1kqa n TYR 72 N -3.89 0.00 0.00 1.43 4.02 -1.26 -4.59 117.16 112.87 1kqa n TYR 72 Ca -0.37 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.52 1kqa n TYR 72 Cb 0.89 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.21 1kqa n TYR 72 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1kqa n GLY 73 N 3.34 1.40 0.00 2.72 0.00 -1.26 -4.44 105.19 106.95 1kqa n GLY 73 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.96 1kqa n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kqa n SER 74 N 1.77 0.00 -0.57 1.61 3.41 -1.19 -2.38 113.62 116.27 1kqa n SER 74 Ca 0.00 -1.73 0.06 0.00 -0.26 0.00 0.00 58.87 56.94 1kqa n SER 74 Cb 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.04 1kqa n SER 74 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1kqa n ASN 75 N -0.62 2.33 -4.66 4.04 3.02 -1.26 -4.22 115.26 113.89 1kqa n ASN 75 Ca 0.06 -1.66 -0.35 0.00 -0.03 0.00 0.00 54.58 52.61 1kqa n ASN 75 Cb 0.03 -0.07 -0.09 0.00 -0.61 0.00 0.00 39.78 39.03 1kqa n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1kqa s ILE 76 N -1.05 4.86 -0.15 2.41 1.01 -1.00 -0.53 121.20 126.75 1kqa s ILE 76 Ca 0.18 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.83 1kqa s ILE 76 Cb 0.12 -3.18 0.02 0.00 0.01 0.00 0.00 42.46 39.42 1kqa s ILE 76 CO 0.17 0.48 -0.19 -1.00 0.00 0.00 0.00 174.94 174.40 1kqa s HIS 77 N 0.20 2.50 -0.02 3.97 3.76 0.26 -1.23 115.29 124.74 1kqa s HIS 77 Ca 0.05 -1.35 0.06 0.00 -0.15 0.00 0.00 55.06 53.66 1kqa s HIS 77 Cb -0.12 -1.75 -0.03 0.00 1.11 0.00 0.00 32.58 31.80 1kqa s HIS 77 CO 0.00 -0.67 -0.19 0.42 -0.85 0.00 0.00 174.74 173.46 1kqa s ILE 78 N 1.13 2.68 0.00 0.60 1.01 0.22 -1.01 121.20 125.82 1kqa s ILE 78 Ca -0.01 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.68 1kqa s ILE 78 Cb -0.14 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.29 1kqa s ILE 78 CO -0.07 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1kqa n GLY 79 N 2.15 0.63 3.80 6.18 0.00 -0.82 -1.85 105.19 115.27 1kqa n GLY 79 Ca -0.17 -1.41 -0.23 0.00 0.00 0.00 0.00 46.02 44.22 1kqa n GLY 79 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1kqa s ARG 80 N 0.00 2.86 -1.43 1.61 1.70 -1.26 0.08 118.95 122.52 1kqa s ARG 80 Ca 0.00 -1.05 -0.11 0.00 -0.47 0.00 0.00 55.73 54.10 1kqa s ARG 80 Cb 0.00 -2.55 0.04 0.00 -0.57 0.00 0.00 34.95 31.87 1kqa s ARG 80 CO 0.00 0.42 1.11 0.09 -1.08 0.00 0.00 175.30 175.84 1kqa n ASN 81 N -0.97 -5.77 -4.72 -2.89 3.02 -0.54 -0.94 115.26 102.44 1kqa n ASN 81 Ca -0.08 -0.64 -0.39 0.00 -0.03 0.00 0.00 54.58 53.44 1kqa n ASN 81 Cb 0.57 -4.58 -0.05 0.00 -0.61 0.00 0.00 39.78 35.11 1kqa n ASN 81 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1kqa s PHE 82 N -3.31 3.57 -0.12 3.10 5.36 -1.24 -3.68 117.98 121.65 1kqa s PHE 82 Ca 0.62 1.15 -0.01 0.00 -0.96 0.00 0.00 56.93 57.74 1kqa s PHE 82 Cb -0.29 -2.73 0.03 0.00 -0.34 0.00 0.00 43.02 39.69 1kqa s PHE 82 CO 0.77 0.12 -0.06 -0.47 -1.46 0.00 0.00 175.22 174.12 1kqa s TYR 83 N 0.71 1.46 -0.08 10.12 5.04 -0.84 0.43 117.35 134.20 1kqa s TYR 83 Ca 0.34 -0.78 0.05 0.00 -2.44 0.00 0.00 57.07 54.24 1kqa s TYR 83 Cb -0.17 -1.22 -0.01 0.00 0.35 0.00 0.00 41.96 40.92 1kqa s TYR 83 CO 0.16 -0.53 -0.24 0.00 -1.34 0.00 0.00 175.55 173.61 1kqa s ALA 84 N 1.71 2.21 0.66 3.97 0.00 0.36 -1.18 121.76 129.50 1kqa s ALA 84 Ca 0.04 -1.01 -0.02 0.00 0.00 0.00 0.00 51.96 50.97 1kqa s ALA 84 Cb -0.13 -0.76 0.06 0.00 0.00 0.00 0.00 23.12 22.28 1kqa s ALA 84 CO -0.08 0.37 0.37 -1.71 0.00 0.00 0.00 175.76 174.71 1kqa n ASN 85 N 3.15 0.31 -4.39 0.00 2.85 -0.47 -1.49 115.26 115.23 1kqa n ASN 85 Ca -0.18 -1.31 -0.47 0.00 -0.11 0.00 0.00 54.58 52.51 1kqa n ASN 85 Cb 0.52 -0.26 -0.02 0.00 1.24 0.00 0.00 39.78 41.26 1kqa n ASN 85 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1kqa n PHE 86 N -2.12 -0.71 -3.85 1.20 3.72 -1.25 -3.68 117.46 110.76 1kqa n PHE 86 Ca 0.06 0.90 -0.27 0.00 -0.05 0.00 0.00 57.45 58.09 1kqa n PHE 86 Cb 0.20 -1.94 0.02 0.00 -0.94 0.00 0.00 39.48 36.82 1kqa n PHE 86 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1kqa n ASN 87 N 2.03 -2.92 -4.73 4.37 3.02 -0.52 -1.47 115.26 115.04 1kqa n ASN 87 Ca 0.17 -0.83 -0.41 0.00 -0.03 0.00 0.00 54.58 53.47 1kqa n ASN 87 Cb 0.28 -3.82 -0.03 0.00 -0.61 0.00 0.00 39.78 35.60 1kqa n ASN 87 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1kqa s LEU 88 N -7.02 4.42 -0.13 3.41 2.96 -1.21 -3.70 118.68 117.41 1kqa s LEU 88 Ca 0.35 2.26 0.03 0.00 -0.22 0.00 0.00 54.13 56.55 1kqa s LEU 88 Cb -0.18 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.92 1kqa s LEU 88 CO 0.83 -0.47 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.28 1kqa s THR 89 N 0.34 2.05 -0.24 3.68 2.01 0.17 -1.01 115.64 122.64 1kqa s THR 89 Ca 0.57 -0.98 -0.01 0.00 0.31 0.00 0.00 61.69 61.57 1kqa s THR 89 Cb -0.34 -1.80 0.07 0.00 0.01 0.00 0.00 72.50 70.44 1kqa s THR 89 CO 0.35 0.55 0.03 -0.63 -0.69 0.00 0.00 174.62 174.23 1kqa s ILE 90 N 0.70 0.86 -0.85 1.82 1.01 0.21 0.14 121.20 125.09 1kqa s ILE 90 Ca -0.10 -0.96 -0.22 0.00 0.00 0.00 0.00 60.65 59.37 1kqa s ILE 90 Cb -0.16 -1.39 0.08 0.00 0.01 0.00 0.00 42.46 40.99 1kqa s ILE 90 CO 0.01 -0.32 1.19 -0.69 0.00 0.00 0.00 174.94 175.12 1kqa s VAL 91 N 1.68 4.27 -0.92 2.92 1.01 0.03 -3.09 120.40 126.29 1kqa s VAL 91 Ca 0.01 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 1kqa s VAL 91 Cb -0.18 -4.85 0.31 0.00 0.00 0.00 0.00 36.38 31.67 1kqa s VAL 91 CO -0.12 -1.66 1.41 -0.90 0.00 0.00 0.00 175.10 173.83 1kqa n ASP 92 N 7.86 6.05 0.28 3.32 5.75 -1.26 -2.28 116.55 136.27 1kqa n ASP 92 Ca 0.16 -3.56 0.17 0.00 -0.01 0.00 0.00 54.79 51.55 1kqa n ASP 92 Cb 0.49 -1.03 0.71 0.00 -1.03 0.00 0.00 41.12 40.25 1kqa n ASP 92 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1kqa h ASP 93 N 4.43 0.00 -5.34 -1.12 3.32 -1.95 -3.39 116.42 112.37 1kqa h ASP 93 Ca 0.31 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.22 1kqa h ASP 93 Cb 0.50 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.92 1kqa h ASP 93 CO 1.13 0.00 -0.45 -0.47 -1.72 0.00 0.00 179.24 177.72 1kqa s TYR 94 N -3.68 0.62 0.08 4.55 5.04 -1.26 -5.06 117.35 117.63 1kqa s TYR 94 Ca 0.01 -0.98 -0.31 0.00 -2.44 0.00 0.00 57.07 53.35 1kqa s TYR 94 Cb 0.09 -0.24 -0.17 0.00 0.35 0.00 0.00 41.96 41.99 1kqa s TYR 94 CO 0.53 -0.65 0.75 2.41 -1.34 0.00 0.00 175.55 177.25 1kqa n THR 95 N -0.18 0.79 -4.25 4.34 -1.04 -1.26 -4.84 114.28 107.84 1kqa n THR 95 Ca -0.06 -0.20 -0.22 0.00 -2.04 0.00 0.00 64.05 61.54 1kqa n THR 95 Cb 0.63 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.98 1kqa n THR 95 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1kqa s VAL 96 N -0.40 0.71 -0.09 12.58 1.01 0.31 -2.77 120.40 131.75 1kqa s VAL 96 Ca 0.72 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.51 1kqa s VAL 96 Cb -1.02 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 34.67 1kqa s VAL 96 CO 0.51 0.27 -0.18 -0.89 0.00 0.00 0.00 175.10 174.81 1kqa s THR 97 N 0.91 1.61 -0.02 3.92 2.01 -0.59 -0.57 115.64 122.92 1kqa s THR 97 Ca -0.11 -0.74 0.07 0.00 0.31 0.00 0.00 61.69 61.22 1kqa s THR 97 Cb -0.15 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 1kqa s THR 97 CO 0.01 0.46 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.55 1kqa s ILE 98 N 0.67 1.73 0.00 1.82 1.01 -0.18 -0.59 121.20 125.65 1kqa s ILE 98 Ca -0.13 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.59 1kqa s ILE 98 Cb -0.16 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.87 1kqa s ILE 98 CO 0.03 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.07 1kqa n GLY 99 N 2.58 0.72 3.91 6.18 0.00 -0.60 -1.95 105.19 116.03 1kqa n GLY 99 Ca -0.16 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 1kqa n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kqa s ASP 100 N -1.00 6.32 -1.50 1.61 1.01 -1.26 -2.85 116.67 118.99 1kqa s ASP 100 Ca 0.00 0.25 -0.04 0.00 0.71 0.00 0.00 52.55 53.47 1kqa s ASP 100 Cb 0.00 -1.93 0.00 0.00 1.01 0.00 0.00 42.92 42.00 1kqa s ASP 100 CO 0.00 0.16 0.49 0.59 0.21 0.00 0.00 175.17 176.62 1kqa n ASN 101 N 0.23 -5.86 -4.73 0.27 3.02 -0.11 -0.43 115.26 107.65 1kqa n ASN 101 Ca -0.05 -0.23 -0.39 0.00 -0.03 0.00 0.00 54.58 53.87 1kqa n ASN 101 Cb 0.51 -4.71 -0.05 0.00 -0.61 0.00 0.00 39.78 34.93 1kqa n ASN 101 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1kqa s VAL 102 N -3.12 5.00 -0.16 2.41 1.01 -1.26 -3.91 120.40 120.37 1kqa s VAL 102 Ca 0.24 1.39 -0.00 0.00 0.00 0.00 0.00 61.98 63.62 1kqa s VAL 102 Cb -0.11 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 1kqa s VAL 102 CO 0.30 0.30 -0.14 -0.76 0.00 0.00 0.00 175.10 174.79 1kqa s LEU 103 N 0.54 2.49 -0.19 3.92 1.43 -0.50 -1.98 118.68 124.40 1kqa s LEU 103 Ca 0.36 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1kqa s LEU 103 Cb -0.18 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.49 1kqa s LEU 103 CO 0.18 0.07 -0.19 -0.63 0.23 0.00 0.00 176.35 176.01 1kqa s ILE 104 N 0.92 2.05 1.08 -0.59 1.01 -0.33 -0.39 121.20 124.94 1kqa s ILE 104 Ca -0.03 -0.99 -0.14 0.00 0.00 0.00 0.00 60.65 59.48 1kqa s ILE 104 Cb -0.15 -1.88 0.23 0.00 0.01 0.00 0.00 42.46 40.66 1kqa s ILE 104 CO -0.02 0.49 1.09 0.00 0.00 0.00 0.00 174.94 176.50 1kqa s ALA 105 N 1.28 0.70 0.70 9.38 0.00 0.16 -1.37 121.76 132.62 1kqa s ALA 105 Ca 0.04 -0.53 -0.16 0.00 0.00 0.00 0.00 51.96 51.31 1kqa s ALA 105 Cb -0.14 -3.06 0.02 0.00 0.00 0.00 0.00 23.12 19.95 1kqa s ALA 105 CO -0.12 -3.16 1.20 -2.14 0.00 0.00 0.00 175.76 171.54 1kqa s PRO 106 N -5.05 2.32 -0.95 0.00 0.02 -1.26 -4.22 135.00 125.86 1kqa s PRO 106 Ca 0.67 1.74 -0.09 0.00 0.02 0.00 0.00 61.00 63.34 1kqa s PRO 106 Cb -0.17 -1.86 -0.01 0.00 0.02 0.00 0.00 34.50 32.49 1kqa s PRO 106 CO 0.58 -1.70 0.74 0.09 -0.33 0.00 0.00 177.00 176.38 1kqa n ASN 107 N -2.53 -6.03 -4.35 2.53 3.02 -0.54 -2.90 115.26 104.46 1kqa n ASN 107 Ca 0.13 -0.72 -0.32 0.00 -0.03 0.00 0.00 54.58 53.65 1kqa n ASN 107 Cb 0.50 -3.67 -0.15 0.00 -0.61 0.00 0.00 39.78 35.85 1kqa n ASN 107 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1kqa s VAL 108 N -3.22 2.36 -0.16 2.41 1.01 -1.24 -1.11 120.40 120.44 1kqa s VAL 108 Ca 0.23 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1kqa s VAL 108 Cb -0.08 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.45 1kqa s VAL 108 CO 0.83 0.58 -0.19 -0.89 0.00 0.00 0.00 175.10 175.43 1kqa s THR 109 N -0.54 2.28 -0.06 3.92 2.01 -0.58 -0.66 115.64 122.02 1kqa s THR 109 Ca 0.07 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.17 1kqa s THR 109 Cb -0.11 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 1kqa s THR 109 CO 0.00 0.53 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.70 1kqa s LEU 110 N 0.94 3.51 -0.18 4.42 1.43 0.36 -1.33 118.68 127.84 1kqa s LEU 110 Ca -0.04 0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1kqa s LEU 110 Cb -0.15 -1.85 0.09 0.00 0.03 0.00 0.00 46.19 44.31 1kqa s LEU 110 CO -0.04 0.35 0.27 -0.55 0.23 0.00 0.00 176.35 176.62 1kqa s SER 111 N -1.03 0.67 0.22 2.29 0.15 0.16 -0.79 113.70 115.37 1kqa s SER 111 Ca 0.15 0.26 0.25 0.00 0.70 0.00 0.00 55.95 57.30 1kqa s SER 111 Cb -0.11 0.68 0.49 0.00 -1.71 0.00 0.00 66.02 65.37 1kqa s SER 111 CO 0.04 -0.28 1.52 -0.37 1.20 0.00 0.00 173.24 175.35 1kqa h VAL 112 N 6.28 0.00 -2.89 4.45 -1.51 -1.70 -0.50 116.25 120.37 1kqa h VAL 112 Ca -0.16 -0.63 -0.62 0.00 -1.23 0.00 0.00 66.70 64.05 1kqa h VAL 112 Cb 1.13 1.45 -0.04 0.00 -2.13 0.00 0.00 31.29 31.70 1kqa h VAL 112 CO 0.21 0.00 -0.48 -0.89 -1.23 0.00 0.00 177.57 175.18 1kqa s THR 113 N -3.17 5.39 0.25 7.19 2.01 -1.26 -1.04 115.64 125.01 1kqa s THR 113 Ca 0.07 -0.26 -0.05 0.00 0.31 0.00 0.00 61.69 61.77 1kqa s THR 113 Cb 0.11 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 69.04 1kqa s THR 113 CO 0.67 0.20 0.42 0.61 -0.69 0.00 0.00 174.62 175.83 1kqa n GLY 114 N 0.53 1.95 3.10 4.40 0.00 -0.95 -4.69 105.19 109.53 1kqa n GLY 114 Ca -0.07 -1.38 -0.17 0.00 0.00 0.00 0.00 46.02 44.40 1kqa n GLY 114 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kqa s HIS 115 N -4.00 0.95 0.36 1.61 3.76 -1.26 -2.21 115.29 114.50 1kqa s HIS 115 Ca 0.16 -0.39 -0.26 0.00 -0.15 0.00 0.00 55.06 54.42 1kqa s HIS 115 Cb -0.02 -0.56 -0.12 0.00 1.11 0.00 0.00 32.58 32.99 1kqa s HIS 115 CO 0.11 -0.00 0.98 -2.30 -0.85 0.00 0.00 174.74 172.67 1kqa n PRO 116 N 1.76 1.31 -0.13 8.40 -0.02 -1.25 -4.84 135.00 140.22 1kqa n PRO 116 Ca -0.20 0.46 -0.06 0.00 -2.02 0.00 0.00 63.50 61.69 1kqa n PRO 116 Cb 0.55 -1.91 0.12 0.00 -0.02 0.00 0.00 33.50 32.24 1kqa n PRO 116 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1kqa h VAL 117 N 1.71 1.25 -2.75 -1.45 2.07 -1.99 -3.42 116.25 111.67 1kqa h VAL 117 Ca -0.42 -1.10 -0.56 0.00 0.82 0.00 0.00 66.70 65.45 1kqa h VAL 117 Cb 1.34 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1kqa h VAL 117 CO 0.58 0.39 1.01 -2.28 0.02 0.00 0.00 177.57 177.28 1kqa s HIS 118 N -4.93 2.37 -0.42 1.57 5.65 -1.26 -4.87 115.29 113.40 1kqa s HIS 118 Ca -0.10 0.57 0.15 0.00 0.25 0.00 0.00 55.06 55.93 1kqa s HIS 118 Cb 0.14 -3.74 0.80 0.00 -1.18 0.00 0.00 32.58 28.60 1kqa s HIS 118 CO 0.83 -2.84 1.44 -2.39 -0.65 0.00 0.00 174.74 171.12 1kqa n HIS 119 N 6.96 0.50 0.18 3.88 -0.00 -1.26 -0.80 115.22 124.68 1kqa n HIS 119 Ca 0.16 0.26 0.12 0.00 -0.00 0.00 0.00 57.72 58.26 1kqa n HIS 119 Cb 0.44 -0.90 0.10 0.00 -0.00 0.00 0.00 29.99 29.63 1kqa n HIS 119 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 1kqa h GLU 120 N 0.00 0.00 0.00 -1.40 4.39 -1.94 -3.14 114.58 112.50 1kqa h GLU 120 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1kqa h GLU 120 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1kqa h GLU 120 CO 0.00 0.00 -0.64 1.28 -1.16 0.00 0.00 179.01 178.49 1kqa n LEU 121 N -2.92 0.59 -1.96 1.33 4.77 0.02 -4.12 117.00 114.71 1kqa n LEU 121 Ca 0.02 0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.90 1kqa n LEU 121 Cb 0.54 -0.20 0.05 0.00 -2.33 0.00 0.00 43.42 41.48 1kqa n LEU 121 CO 0.36 0.06 0.17 -2.11 -1.33 0.00 0.00 177.39 174.54 1kqa n ARG 122 N -1.75 2.93 -0.20 3.23 1.85 -1.19 -4.41 116.66 117.12 1kqa n ARG 122 Ca 0.04 -3.88 0.12 0.00 -1.00 0.00 0.00 57.85 53.13 1kqa n ARG 122 Cb 0.38 -2.01 0.42 0.00 -1.05 0.00 0.00 32.46 30.20 1kqa n ARG 122 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1kqa h LYS 123 N 2.07 0.58 -0.31 2.89 1.57 -1.71 -0.03 116.57 121.63 1kqa h LYS 123 Ca 0.22 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1kqa h LYS 123 Cb 1.44 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 1kqa h LYS 123 CO 0.55 0.39 0.01 0.09 -0.57 0.00 0.00 179.45 179.91 1kqa n ASN 124 N -4.51 3.82 -2.76 0.86 3.02 -1.26 -4.96 115.26 109.47 1kqa n ASN 124 Ca 0.14 -3.12 -0.11 0.00 -0.03 0.00 0.00 54.58 51.46 1kqa n ASN 124 Cb 0.43 -0.57 0.05 0.00 -0.61 0.00 0.00 39.78 39.08 1kqa n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kqa n GLY 125 N -0.54 -0.49 3.79 7.41 0.00 -0.03 -4.98 105.19 110.36 1kqa n GLY 125 Ca 0.24 0.26 -0.38 0.00 0.00 0.00 0.00 46.02 46.14 1kqa n GLY 125 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1kqa s GLU 126 N -4.23 4.42 0.22 1.61 0.41 -1.26 -4.87 118.70 115.00 1kqa s GLU 126 Ca 0.26 1.03 0.03 0.00 -0.41 0.00 0.00 54.97 55.87 1kqa s GLU 126 Cb -0.03 -3.05 -0.05 0.00 -1.78 0.00 0.00 34.13 29.21 1kqa s GLU 126 CO 0.53 0.47 0.02 0.00 -0.49 0.00 0.00 175.26 175.79 1kqa s MET 127 N -1.59 1.30 0.13 1.61 0.23 -0.82 -3.97 119.30 116.18 1kqa s MET 127 Ca 0.40 -1.66 0.08 0.00 -1.03 0.00 0.00 55.69 53.48 1kqa s MET 127 Cb -0.20 -0.46 -0.04 0.00 -1.53 0.00 0.00 34.83 32.61 1kqa s MET 127 CO 0.23 -0.15 -0.20 1.52 -2.03 0.00 0.00 175.02 174.39 1kqa s TYR 128 N -3.55 1.83 -0.07 3.16 -0.85 -0.94 -0.82 117.35 116.12 1kqa s TYR 128 Ca 0.29 -0.43 -0.01 0.00 -0.52 0.00 0.00 57.07 56.40 1kqa s TYR 128 Cb 0.06 -0.97 0.03 0.00 0.38 0.00 0.00 41.96 41.46 1kqa s TYR 128 CO 0.09 0.26 -0.02 -1.12 -1.52 0.00 0.00 175.55 173.23 1kqa s SER 129 N -2.18 1.56 -0.18 -0.18 0.01 -1.26 -2.23 113.70 109.24 1kqa s SER 129 Ca 0.10 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1kqa s SER 129 Cb -0.09 -0.51 0.04 0.00 0.21 0.00 0.00 66.02 65.67 1kqa s SER 129 CO 0.05 -0.15 -0.07 -0.36 0.41 0.00 0.00 173.24 173.12 1kqa s PHE 130 N 1.71 1.98 0.44 2.43 0.08 -0.20 -4.60 117.98 119.82 1kqa s PHE 130 Ca 0.02 -1.29 -0.20 0.00 0.12 0.00 0.00 56.93 55.57 1kqa s PHE 130 Cb -0.13 -1.44 -0.14 0.00 -0.57 0.00 0.00 43.02 40.74 1kqa s PHE 130 CO -0.05 -0.67 0.17 -0.35 -0.10 0.00 0.00 175.22 174.23 1kqa n PRO 131 N 4.80 0.16 -4.49 0.24 -0.04 -1.26 0.94 135.00 135.35 1kqa n PRO 131 Ca -0.13 0.06 -0.33 0.00 -0.04 0.00 0.00 63.50 63.06 1kqa n PRO 131 Cb 0.47 -1.17 -0.10 0.00 -0.04 0.00 0.00 33.50 32.66 1kqa n PRO 131 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1kqa s ILE 132 N -1.71 3.73 -0.16 0.52 1.01 -1.12 -2.94 121.20 120.53 1kqa s ILE 132 Ca 0.60 -0.66 -0.02 0.00 0.00 0.00 0.00 60.65 60.57 1kqa s ILE 132 Cb -0.58 -2.60 0.05 0.00 0.01 0.00 0.00 42.46 39.34 1kqa s ILE 132 CO 0.62 0.46 0.03 -0.89 0.00 0.00 0.00 174.94 175.15 1kqa s THR 133 N -0.95 0.47 -0.23 2.92 2.01 -0.46 -1.54 115.64 117.87 1kqa s THR 133 Ca 0.16 -0.35 -0.08 0.00 0.31 0.00 0.00 61.69 61.73 1kqa s THR 133 Cb -0.11 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 1kqa s THR 133 CO 0.06 -0.07 0.08 -0.63 -0.69 0.00 0.00 174.62 173.37 1kqa s ILE 134 N 1.90 4.63 0.00 1.82 -1.09 0.24 -0.48 121.20 128.22 1kqa s ILE 134 Ca 0.01 -0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.35 1kqa s ILE 134 Cb -0.16 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.59 1kqa s ILE 134 CO -0.07 0.37 0.00 0.61 -1.23 0.00 0.00 174.94 174.62 1kqa n GLY 135 N 4.39 -2.99 3.91 6.18 0.00 0.52 -1.55 105.19 115.65 1kqa n GLY 135 Ca -0.16 -1.34 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 1kqa n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kqa s ASN 136 N -1.73 6.28 -1.23 1.61 0.01 -1.26 -3.29 114.94 115.33 1kqa s ASN 136 Ca 0.00 0.85 -0.06 0.00 -0.71 0.00 0.00 52.86 52.94 1kqa s ASN 136 Cb 0.00 -2.21 0.04 0.00 0.41 0.00 0.00 41.25 39.49 1kqa s ASN 136 CO 0.00 -0.52 0.36 0.59 -1.51 0.00 0.00 177.10 176.02 1kqa n ASN 137 N -2.13 -3.97 -4.79 -1.22 3.02 0.43 0.58 115.26 107.18 1kqa n ASN 137 Ca -0.00 -0.20 -0.39 0.00 -0.03 0.00 0.00 54.58 53.96 1kqa n ASN 137 Cb 0.55 -3.30 -0.06 0.00 -0.61 0.00 0.00 39.78 36.36 1kqa n ASN 137 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1kqa s VAL 138 N -2.85 4.79 -0.14 2.41 1.01 -1.26 -3.89 120.40 120.47 1kqa s VAL 138 Ca 0.27 1.27 0.02 0.00 0.00 0.00 0.00 61.98 63.55 1kqa s VAL 138 Cb -0.14 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1kqa s VAL 138 CO 0.34 0.49 -0.22 0.86 0.00 0.00 0.00 175.10 176.57 1kqa s TRP 139 N -0.67 2.68 -0.20 5.22 -0.00 -1.00 -1.41 118.94 123.56 1kqa s TRP 139 Ca 0.31 -1.38 -0.03 0.00 -0.00 0.00 0.00 56.10 55.00 1kqa s TRP 139 Cb -0.19 -1.82 -0.01 0.00 -0.00 0.00 0.00 33.47 31.45 1kqa s TRP 139 CO 0.19 -0.63 -0.05 0.42 -0.00 0.00 0.00 176.95 176.87 1kqa s ILE 140 N 0.86 3.37 1.29 5.86 1.01 0.47 -1.18 121.20 132.88 1kqa s ILE 140 Ca -0.06 -0.50 -0.21 0.00 0.00 0.00 0.00 60.65 59.88 1kqa s ILE 140 Cb -0.15 -2.52 0.32 0.00 0.01 0.00 0.00 42.46 40.12 1kqa s ILE 140 CO -0.03 0.44 1.05 -0.83 0.00 0.00 0.00 174.94 175.57 1kqa s GLY 141 N 1.25 1.53 0.61 6.18 0.00 0.93 -0.66 107.32 117.15 1kqa s GLY 141 Ca 0.03 -0.95 -0.16 0.00 0.00 0.00 0.00 44.72 43.64 1kqa s GLY 141 CO -0.02 -0.00 1.09 -0.56 0.00 0.00 0.00 173.10 173.61 1kqa s SER 142 N -3.69 5.52 -1.06 1.64 0.01 -1.26 -3.74 113.70 111.11 1kqa s SER 142 Ca 0.71 1.96 0.00 0.00 1.31 0.00 0.00 55.95 59.93 1kqa s SER 142 Cb -0.10 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.58 1kqa s SER 142 CO 0.56 -1.35 0.00 1.41 0.41 0.00 0.00 173.24 174.28 1kqa n HIS 143 N -2.00 -1.26 -3.15 2.43 8.25 -0.27 0.12 115.22 119.34 1kqa n HIS 143 Ca 0.10 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.22 1kqa n HIS 143 Cb 0.52 -2.66 -0.06 0.00 1.12 0.00 0.00 29.99 28.91 1kqa n HIS 143 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1kqa s VAL 144 N -2.50 4.66 -0.06 1.59 1.01 -1.25 -3.74 120.40 120.12 1kqa s VAL 144 Ca 0.00 1.04 0.04 0.00 0.00 0.00 0.00 61.98 63.06 1kqa s VAL 144 Cb 0.00 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 1kqa s VAL 144 CO 0.00 -0.02 -0.18 -0.69 0.00 0.00 0.00 175.10 174.21 1kqa s VAL 145 N -1.79 1.55 -0.21 2.92 1.01 -0.29 -1.53 120.40 122.07 1kqa s VAL 145 Ca 0.49 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 1kqa s VAL 145 Cb -0.13 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 34.93 1kqa s VAL 145 CO 0.19 0.44 -0.14 -0.63 0.00 0.00 0.00 175.10 174.97 1kqa s ILE 146 N 0.16 2.47 0.81 2.22 1.01 -0.44 -0.87 121.20 126.57 1kqa s ILE 146 Ca -0.08 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 59.54 1kqa s ILE 146 Cb -0.13 -2.13 0.10 0.00 0.01 0.00 0.00 42.46 40.30 1kqa s ILE 146 CO 0.04 0.41 1.16 0.20 0.00 0.00 0.00 174.94 176.75 1kqa s ASN 147 N 1.32 4.34 0.37 3.58 0.02 -0.39 -0.66 114.94 123.52 1kqa s ASN 147 Ca 0.03 0.59 -0.24 0.00 -1.02 0.00 0.00 52.86 52.22 1kqa s ASN 147 Cb -0.14 -1.04 -0.13 0.00 0.02 0.00 0.00 41.25 39.95 1kqa s ASN 147 CO -0.09 -1.97 0.61 -2.65 0.02 0.00 0.00 177.10 173.03 1kqa n PRO 148 N -3.28 0.63 -1.86 -0.60 -0.02 -0.20 -3.10 135.00 126.57 1kqa n PRO 148 Ca 0.09 0.23 -0.12 0.00 -2.02 0.00 0.00 63.50 61.68 1kqa n PRO 148 Cb 0.61 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.56 1kqa n PRO 148 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kqa n GLY 149 N 1.72 0.35 3.80 -1.23 0.00 0.27 -4.95 105.19 105.15 1kqa n GLY 149 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1kqa n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kqa s VAL 150 N -2.27 4.51 -0.11 1.61 1.01 -1.18 -4.89 120.40 119.09 1kqa s VAL 150 Ca 0.00 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.43 1kqa s VAL 150 Cb 0.00 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.44 1kqa s VAL 150 CO 0.00 0.32 -0.20 -0.89 0.00 0.00 0.00 175.10 174.33 1kqa s THR 151 N -1.39 1.84 -0.20 3.92 2.01 -1.26 -1.35 115.64 119.21 1kqa s THR 151 Ca 0.40 -0.87 -0.05 0.00 0.31 0.00 0.00 61.69 61.48 1kqa s THR 151 Cb -0.19 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 1kqa s THR 151 CO 0.22 0.51 -0.01 -0.63 -0.69 0.00 0.00 174.62 174.02 1kqa s ILE 152 N 0.59 3.82 0.43 1.82 -1.09 0.37 -0.25 121.20 126.88 1kqa s ILE 152 Ca -0.14 -0.36 -0.23 0.00 -2.23 0.00 0.00 60.65 57.69 1kqa s ILE 152 Cb -0.17 -2.73 -0.08 0.00 -1.58 0.00 0.00 42.46 37.90 1kqa s ILE 152 CO 0.04 0.43 1.11 -0.83 -1.23 0.00 0.00 174.94 174.45 1kqa s GLY 153 N 1.09 2.75 0.95 6.18 0.00 0.21 -0.36 107.32 118.16 1kqa s GLY 153 Ca 0.02 0.81 -0.16 0.00 0.00 0.00 0.00 44.72 45.40 1kqa s GLY 153 CO 0.01 1.26 -0.38 1.22 0.00 0.00 0.00 173.10 175.20 1kqa n ASP 154 N -0.26 -4.64 -1.21 1.64 8.00 -1.26 -2.64 116.55 116.17 1kqa n ASP 154 Ca 0.06 0.26 -0.11 0.00 0.71 0.00 0.00 54.79 55.71 1kqa n ASP 154 Cb 0.49 -0.91 -0.05 0.00 -0.02 0.00 0.00 41.12 40.63 1kqa n ASP 154 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1kqa n ASN 155 N 1.94 -3.17 -4.93 -2.24 3.02 0.20 -1.17 115.26 108.91 1kqa n ASN 155 Ca 0.01 0.27 -0.26 0.00 -0.03 0.00 0.00 54.58 54.57 1kqa n ASN 155 Cb 0.55 -2.91 -0.02 0.00 -0.61 0.00 0.00 39.78 36.79 1kqa n ASN 155 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1kqa s SER 156 N -1.92 6.33 -0.08 6.41 0.01 -1.08 -4.04 113.70 119.33 1kqa s SER 156 Ca 0.00 0.55 0.04 0.00 1.31 0.00 0.00 55.95 57.85 1kqa s SER 156 Cb 0.00 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.16 1kqa s SER 156 CO 0.00 -0.28 -0.21 -0.69 0.41 0.00 0.00 173.24 172.48 1kqa s VAL 157 N -2.26 1.77 -0.27 3.43 1.01 0.78 -2.37 120.40 122.49 1kqa s VAL 157 Ca 0.41 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 1kqa s VAL 157 Cb -0.10 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.75 1kqa s VAL 157 CO 0.35 0.50 0.03 -0.63 0.00 0.00 0.00 175.10 175.34 1kqa s ILE 158 N 0.31 3.67 0.76 2.22 -1.09 -0.32 -0.60 121.20 126.15 1kqa s ILE 158 Ca -0.14 -0.68 -0.12 0.00 -2.23 0.00 0.00 60.65 57.48 1kqa s ILE 158 Cb -0.16 -2.83 0.05 0.00 -1.58 0.00 0.00 42.46 37.94 1kqa s ILE 158 CO 0.06 0.19 1.13 -0.83 -1.23 0.00 0.00 174.94 174.26 1kqa s GLY 159 N 1.47 1.93 0.36 6.18 0.00 0.08 -0.05 107.32 117.28 1kqa s GLY 159 Ca 0.03 0.51 -0.28 0.00 0.00 0.00 0.00 44.72 44.98 1kqa s GLY 159 CO 0.00 0.88 1.38 0.00 0.00 0.00 0.00 173.10 175.37 1kqa n ALA 160 N -3.21 1.79 -0.99 3.20 0.00 -1.26 -2.40 120.51 117.64 1kqa n ALA 160 Ca 0.11 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1kqa n ALA 160 Cb 0.52 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1kqa n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kqa n GLY 161 N 0.64 0.95 3.77 0.00 0.00 0.32 -4.82 105.19 106.05 1kqa n GLY 161 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1kqa n GLY 161 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kqa s SER 162 N -2.91 5.96 -0.34 1.61 0.01 -1.01 -4.77 113.70 112.25 1kqa s SER 162 Ca 0.00 2.81 0.03 0.00 1.31 0.00 0.00 55.95 60.10 1kqa s SER 162 Cb 0.00 -2.65 0.10 0.00 0.21 0.00 0.00 66.02 63.68 1kqa s SER 162 CO 0.00 -1.11 0.05 -0.63 0.41 0.00 0.00 173.24 171.96 1kqa s ILE 163 N -1.24 2.38 -0.40 1.44 -1.09 -1.03 -1.14 121.20 120.12 1kqa s ILE 163 Ca 0.61 -2.24 -0.23 0.00 -2.23 0.00 0.00 60.65 56.56 1kqa s ILE 163 Cb -0.41 -2.70 0.02 0.00 -1.58 0.00 0.00 42.46 37.78 1kqa s ILE 163 CO 0.53 -0.54 0.79 -0.69 -1.23 0.00 0.00 174.94 173.79 1kqa s VAL 164 N 0.95 4.69 -0.01 2.92 1.01 -0.05 -1.06 120.40 128.85 1kqa s VAL 164 Ca 0.08 0.71 0.08 0.00 0.00 0.00 0.00 61.98 62.85 1kqa s VAL 164 Cb -0.19 -4.26 -0.12 0.00 0.00 0.00 0.00 36.38 31.80 1kqa s VAL 164 CO -0.07 -0.56 0.17 0.35 0.00 0.00 0.00 175.10 174.99 1kqa n THR 165 N 5.95 0.03 -4.47 3.92 -2.24 -1.26 -1.26 114.28 114.94 1kqa n THR 165 Ca 0.03 -0.19 -0.24 0.00 -2.27 0.00 0.00 64.05 61.38 1kqa n THR 165 Cb 0.48 0.26 -0.10 0.00 -2.10 0.00 0.00 70.33 68.87 1kqa n THR 165 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1kqa s LYS 166 N -2.53 1.67 0.36 -0.78 1.02 -1.26 -4.90 119.74 113.32 1kqa s LYS 166 Ca -0.03 -1.76 -0.28 0.00 0.02 0.00 0.00 55.97 53.92 1kqa s LYS 166 Cb 0.05 -1.76 -0.11 0.00 -0.52 0.00 0.00 37.83 35.49 1kqa s LYS 166 CO 0.33 0.33 1.43 -0.51 -0.92 0.00 0.00 175.35 176.01 1kqa s ASP 167 N -3.48 6.49 -0.19 2.83 1.11 -1.26 -4.75 116.67 117.42 1kqa s ASP 167 Ca 0.30 2.93 -0.07 0.00 0.18 0.00 0.00 52.55 55.88 1kqa s ASP 167 Cb -0.05 -2.66 -0.04 0.00 1.07 0.00 0.00 42.92 41.24 1kqa s ASP 167 CO 0.15 -0.76 0.06 -0.63 1.18 0.00 0.00 175.17 175.17 1kqa s ILE 168 N -1.13 4.67 0.83 0.77 -1.09 0.65 -4.95 121.20 120.95 1kqa s ILE 168 Ca 0.51 -0.07 -0.11 0.00 -2.23 0.00 0.00 60.65 58.75 1kqa s ILE 168 Cb -0.44 -3.11 0.09 0.00 -1.58 0.00 0.00 42.46 37.41 1kqa s ILE 168 CO 0.60 0.44 1.09 -2.16 -1.23 0.00 0.00 174.94 173.68 1kqa s PRO 169 N 0.59 1.79 0.93 2.79 0.04 -1.26 0.68 135.00 140.55 1kqa s PRO 169 Ca 0.03 0.89 -0.12 0.00 0.04 0.00 0.00 61.00 61.84 1kqa s PRO 169 Cb -0.13 -1.86 0.15 0.00 0.04 0.00 0.00 34.50 32.70 1kqa s PRO 169 CO 0.01 -1.89 1.09 -1.25 0.04 0.00 0.00 177.00 175.00 1kqa s PRO 170 N -4.97 0.97 -1.54 0.56 0.04 -1.26 -3.90 135.00 124.90 1kqa s PRO 170 Ca 0.62 0.79 -0.14 0.00 0.04 0.00 0.00 61.00 62.31 1kqa s PRO 170 Cb -0.17 -1.78 0.09 0.00 0.04 0.00 0.00 34.50 32.68 1kqa s PRO 170 CO 0.56 -2.43 0.94 0.09 0.04 0.00 0.00 177.00 176.20 1kqa n ASN 171 N -4.01 -4.73 -4.20 6.66 3.02 -0.31 -4.90 115.26 106.78 1kqa n ASN 171 Ca 0.07 -0.76 -0.13 0.00 -0.03 0.00 0.00 54.58 53.73 1kqa n ASN 171 Cb 0.55 -3.78 -0.10 0.00 -0.61 0.00 0.00 39.78 35.84 1kqa n ASN 171 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1kqa s VAL 172 N -3.27 0.93 -0.29 2.41 -7.23 -1.26 -1.36 120.40 110.33 1kqa s VAL 172 Ca 0.66 -1.94 -0.08 0.00 -1.81 0.00 0.00 61.98 58.81 1kqa s VAL 172 Cb -0.33 -1.69 -0.01 0.00 0.56 0.00 0.00 36.38 34.91 1kqa s VAL 172 CO 0.81 -0.77 0.11 -0.69 -0.31 0.00 0.00 175.10 174.25 1kqa s VAL 173 N -3.30 4.36 0.10 1.32 1.01 -0.59 -0.15 120.40 123.15 1kqa s VAL 173 Ca 0.13 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.78 1kqa s VAL 173 Cb 0.03 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1kqa s VAL 173 CO -0.02 0.15 -0.23 0.00 0.00 0.00 0.00 175.10 175.00 1kqa s ALA 174 N 1.58 1.99 0.15 5.51 0.00 0.24 0.02 121.76 131.25 1kqa s ALA 174 Ca 0.05 -1.30 -0.25 0.00 0.00 0.00 0.00 51.96 50.46 1kqa s ALA 174 Cb -0.17 -0.30 0.07 0.00 0.00 0.00 0.00 23.12 22.72 1kqa s ALA 174 CO 0.05 0.42 0.97 0.00 0.00 0.00 0.00 175.76 177.20 1kqa s ALA 175 N -1.08 -1.67 0.00 0.00 0.00 -0.72 -0.74 121.76 117.54 1kqa s ALA 175 Ca 0.09 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1kqa s ALA 175 Cb -0.10 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.65 1kqa s ALA 175 CO 0.04 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.17 1kqa n GLY 176 N -0.48 1.52 2.75 0.00 0.00 -1.26 -0.66 105.19 107.06 1kqa n GLY 176 Ca -0.06 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.50 1kqa n GLY 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kqa s VAL 177 N -1.59 0.95 0.79 1.61 1.01 -1.26 -2.31 120.40 119.60 1kqa s VAL 177 Ca 0.00 -1.39 -0.12 0.00 0.00 0.00 0.00 61.98 60.47 1kqa s VAL 177 Cb 0.00 -1.69 0.07 0.00 0.00 0.00 0.00 36.38 34.76 1kqa s VAL 177 CO 0.00 -0.63 1.10 -2.16 0.00 0.00 0.00 175.10 173.41 1kqa s PRO 178 N 1.59 2.11 0.24 2.72 0.05 -1.26 -5.05 135.00 135.39 1kqa s PRO 178 Ca 0.09 0.58 -0.31 0.00 0.05 0.00 0.00 61.00 61.41 1kqa s PRO 178 Cb -0.17 -1.93 -0.11 0.00 0.05 0.00 0.00 34.50 32.34 1kqa s PRO 178 CO -0.23 -1.59 1.65 0.00 0.05 0.00 0.00 177.00 176.88 1kqa s ARG 180 N 0.43 1.03 0.13 0.00 0.52 0.16 -4.86 118.95 116.37 1kqa s ARG 180 Ca 0.69 -0.60 -0.31 0.00 -0.52 0.00 0.00 55.73 54.99 1kqa s ARG 180 Cb -0.48 -1.02 -0.09 0.00 0.52 0.00 0.00 34.95 33.88 1kqa s ARG 180 CO 0.39 0.27 1.59 0.08 0.02 0.00 0.00 175.30 177.65 1kqa s VAL 181 N -0.53 2.78 -0.22 3.52 1.01 -1.26 -1.76 120.40 123.93 1kqa s VAL 181 Ca 0.04 0.47 -0.14 0.00 0.00 0.00 0.00 61.98 62.35 1kqa s VAL 181 Cb -0.06 -3.30 -0.18 0.00 0.00 0.00 0.00 36.38 32.83 1kqa s VAL 181 CO 0.00 0.02 0.02 -0.38 0.00 0.00 0.00 175.10 174.77 1kqa n ILE 182 N 4.21 1.57 -3.82 2.22 2.08 0.10 -4.93 119.36 120.80 1kqa n ILE 182 Ca 0.14 -0.31 -0.06 0.00 0.56 0.00 0.00 62.75 63.09 1kqa n ILE 182 Cb 0.39 -1.87 -0.00 0.00 -0.75 0.00 0.00 39.64 37.41 1kqa n ILE 182 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1kqa s ARG 183 N -2.46 1.61 0.08 0.38 1.70 -1.10 -5.02 118.95 114.15 1kqa s ARG 183 Ca -0.31 -0.95 -0.11 0.00 -0.47 0.00 0.00 55.73 53.88 1kqa s ARG 183 Cb 0.09 0.51 -0.06 0.00 -0.57 0.00 0.00 34.95 34.92 1kqa s ARG 183 CO 0.60 -0.75 0.42 -2.00 -1.08 0.00 0.00 175.30 172.49 1kqa s GLU 184 N -3.08 3.81 -0.49 3.89 2.56 -1.26 -1.53 118.70 122.59 1kqa s GLU 184 Ca 0.14 0.25 -0.26 0.00 0.00 0.00 0.00 54.97 55.10 1kqa s GLU 184 Cb -0.04 -3.01 0.03 0.00 2.00 0.00 0.00 34.13 33.11 1kqa s GLU 184 CO 0.06 0.56 1.00 0.42 -0.56 0.00 0.00 175.26 176.75 1kqa s ILE 185 N -1.37 4.36 0.08 -3.70 1.01 -0.46 -4.84 121.20 116.26 1kqa s ILE 185 Ca 0.33 0.79 0.01 0.00 0.00 0.00 0.00 60.65 61.77 1kqa s ILE 185 Cb -0.14 -4.52 0.01 0.00 0.01 0.00 0.00 42.46 37.82 1kqa s ILE 185 CO 0.18 -0.97 0.10 -0.46 0.00 0.00 0.00 174.94 173.79 1kqa n ASN 186 N 7.49 0.30 0.00 3.58 0.23 -1.26 -4.95 115.26 120.65 1kqa n ASN 186 Ca 0.07 -1.20 0.12 0.00 -0.53 0.00 0.00 54.58 53.04 1kqa n ASN 186 Cb 0.48 -0.05 0.53 0.00 -2.08 0.00 0.00 39.78 38.66 1kqa n ASN 186 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1kqa n ASP 187 N -2.88 0.00 0.09 0.53 8.00 -1.26 -2.10 116.55 118.92 1kqa n ASP 187 Ca 0.02 0.47 0.11 0.00 0.71 0.00 0.00 54.79 56.10 1kqa n ASP 187 Cb 0.08 -0.49 0.45 0.00 -0.02 0.00 0.00 41.12 41.14 1kqa n ASP 187 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1kqa n ARG 188 N -1.49 0.15 0.06 -1.24 0.63 -1.26 -1.55 116.66 111.96 1kqa n ARG 188 Ca 0.06 0.31 0.12 0.00 -0.92 0.00 0.00 57.85 57.42 1kqa n ARG 188 Cb 0.28 -1.75 0.14 0.00 0.45 0.00 0.00 32.46 31.58 1kqa n ARG 188 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1kqa n ASP 189 N -2.03 0.69 0.02 6.15 8.00 -0.89 -2.40 116.55 126.08 1kqa n ASP 189 Ca 0.03 0.07 0.12 0.00 0.71 0.00 0.00 54.79 55.72 1kqa n ASP 189 Cb 0.26 0.28 0.50 0.00 -0.02 0.00 0.00 41.12 42.15 1kqa n ASP 189 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1kqa n LYS 190 N -2.10 0.03 -0.04 -1.24 4.81 -0.59 -3.86 118.16 115.17 1kqa n LYS 190 Ca 0.03 0.11 -0.06 0.00 -0.87 0.00 0.00 58.31 57.52 1kqa n LYS 190 Cb 0.44 -1.55 -0.03 0.00 0.02 0.00 0.00 35.03 33.92 1kqa n LYS 190 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1kqa n HIS 191 N -1.61 0.00 -3.66 5.64 8.25 -1.23 -4.90 115.22 117.71 1kqa n HIS 191 Ca 0.06 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.18 1kqa n HIS 191 Cb 0.29 -0.27 -0.05 0.00 1.12 0.00 0.00 29.99 31.08 1kqa n HIS 191 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1kqa s TYR 192 N -2.14 3.55 0.00 4.41 1.51 -1.01 -1.80 117.35 121.87 1kqa s TYR 192 Ca -0.10 0.65 0.00 0.00 -1.01 0.00 0.00 57.07 56.61 1kqa s TYR 192 Cb 0.03 -2.06 0.00 0.00 -0.11 0.00 0.00 41.96 39.82 1kqa s TYR 192 CO 0.15 0.53 0.00 2.48 -1.11 0.00 0.00 175.55 177.60 1kqa n TYR 193 N 0.75 0.00 -3.66 2.71 4.11 -0.92 -4.51 117.16 115.64 1kqa n TYR 193 Ca -0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.77 1kqa n TYR 193 Cb 0.52 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.79 1kqa n TYR 193 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.86 176.98 1kqa s PHE 194 N -0.91 -1.00 0.00 -3.48 5.36 -1.26 -5.03 117.98 111.67 1kqa s PHE 194 Ca 0.00 1.84 0.00 0.00 -0.96 0.00 0.00 56.93 57.81 1kqa s PHE 194 Cb 0.00 0.51 0.00 0.00 -0.34 0.00 0.00 43.02 43.19 1kqa s PHE 194 CO 0.00 -0.54 0.00 1.63 -1.46 0.00 0.00 175.22 174.85 1kqa n LYS 195 N 5.21 0.00 -2.56 10.12 4.76 -1.26 -0.58 118.16 133.85 1kqa n LYS 195 Ca -0.12 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.23 1kqa n LYS 195 Cb 0.51 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.74 1kqa n LYS 195 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1kqa n ASP 196 N 3.50 2.73 -4.48 4.39 5.75 -1.26 -5.03 116.55 122.15 1kqa n ASP 196 Ca 0.00 -2.63 -0.40 0.00 -0.01 0.00 0.00 54.79 51.75 1kqa n ASP 196 Cb 0.00 -0.43 -0.11 0.00 -1.03 0.00 0.00 41.12 39.55 1kqa n ASP 196 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1kqa s TYR 197 N -3.73 3.21 0.66 2.11 1.51 0.25 -5.05 117.35 116.31 1kqa s TYR 197 Ca 0.35 -0.41 0.05 0.00 -1.01 0.00 0.00 57.07 56.05 1kqa s TYR 197 Cb 0.35 -2.42 0.12 0.00 -0.11 0.00 0.00 41.96 39.90 1kqa s TYR 197 CO -0.01 -0.42 0.91 -1.59 -1.11 0.00 0.00 175.55 173.33 1kqa s LYS 198 N 1.67 1.92 -0.06 -0.62 -2.85 -1.25 -2.18 119.74 116.37 1kqa s LYS 198 Ca 0.05 -1.45 0.04 0.00 -1.00 0.00 0.00 55.97 53.61 1kqa s LYS 198 Cb -0.17 -2.49 0.00 0.00 -2.06 0.00 0.00 37.83 33.11 1kqa s LYS 198 CO 0.08 -1.22 -0.18 0.08 0.10 0.00 0.00 175.35 174.22 1kqa s VAL 199 N -2.93 1.56 0.41 1.79 1.01 -0.74 -4.95 120.40 116.55 1kqa s VAL 199 Ca 0.65 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.94 1kqa s VAL 199 Cb -0.05 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 1kqa s VAL 199 CO 0.42 0.45 0.17 -1.61 0.00 0.00 0.00 175.10 174.53 1kqa s GLU 200 N 0.24 2.22 0.00 2.72 2.02 -1.26 -5.00 118.70 119.64 1kqa s GLU 200 Ca -0.10 -1.84 0.27 0.00 0.02 0.00 0.00 54.97 53.32 1kqa s GLU 200 Cb -0.14 -1.98 1.60 0.00 0.10 0.00 0.00 34.13 33.71 1kqa s GLU 200 CO 0.04 -0.10 1.95 -1.13 0.02 0.00 0.00 175.26 176.04