#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxr s LEU 8 N 0.00 4.03 -0.11 0.64 1.02 -1.26 -5.05 118.68 117.95 3kxr s LEU 8 Ca 0.00 0.66 -0.15 0.00 0.02 0.00 0.00 54.13 54.66 3kxr s LEU 8 Cb 0.00 -3.49 -0.14 0.00 0.02 0.00 0.00 46.19 42.58 3kxr s LEU 8 CO 0.00 -0.23 0.44 0.25 0.02 0.00 0.00 176.35 176.83 3kxr h LEU 9 N 1.45 -0.02 -1.23 1.79 5.85 -2.03 -3.26 115.31 117.86 3kxr h LEU 9 Ca -0.48 -0.50 -0.06 0.00 0.84 0.00 0.00 57.88 57.69 3kxr h LEU 9 Cb 1.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3kxr h LEU 9 CO 0.65 0.72 -0.26 -0.26 -0.34 0.00 0.00 178.44 178.95 3kxr h PHE 10 N -0.99 0.00 0.00 1.25 0.04 -1.96 0.71 116.94 115.99 3kxr h PHE 10 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3kxr h PHE 10 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 3kxr h PHE 10 CO 0.14 0.26 0.00 0.00 -0.60 0.00 0.00 178.31 178.11 3kxr n ALA 11 N -2.27 1.36 0.93 2.45 0.00 -1.25 -2.84 120.51 118.88 3kxr n ALA 11 Ca -0.01 0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.59 3kxr n ALA 11 Cb 0.41 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 3kxr n ALA 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3kxr n GLN 12 N -1.86 1.03 -4.62 0.00 6.02 0.24 -4.91 117.38 113.28 3kxr n GLN 12 Ca 0.01 -0.62 -0.33 0.00 -0.01 0.00 0.00 57.00 56.05 3kxr n GLN 12 Cb 0.11 -1.43 -0.15 0.00 1.02 0.00 0.00 30.24 29.79 3kxr n GLN 12 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kxr s LEU 13 N -2.57 2.59 0.56 1.08 1.43 -1.13 -5.11 118.68 115.53 3kxr s LEU 13 Ca 0.14 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 3kxr s LEU 13 Cb 0.16 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 3kxr s LEU 13 CO 0.63 0.11 0.96 -0.94 0.23 0.00 0.00 176.35 177.34 3kxr s SER 14 N 0.65 6.35 0.54 2.29 1.04 -1.26 -4.94 113.70 118.37 3kxr s SER 14 Ca -0.07 1.35 0.23 0.00 0.48 0.00 0.00 55.95 57.93 3kxr s SER 14 Cb -0.16 -2.43 1.42 0.00 0.10 0.00 0.00 66.02 64.96 3kxr s SER 14 CO 0.02 -0.72 2.09 1.55 0.98 0.00 0.00 173.24 177.17 3kxr h PRO 15 N 0.18 0.00 -0.50 4.02 0.13 -1.96 -1.18 132.00 132.69 3kxr h PRO 15 Ca -0.45 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 3kxr h PRO 15 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3kxr h PRO 15 CO 0.62 0.00 -0.11 0.93 -0.23 0.00 0.00 178.00 179.21 3kxr h GLU 16 N 0.00 0.93 -0.51 0.86 3.07 -1.93 -2.07 114.58 114.92 3kxr h GLU 16 Ca 0.11 -0.33 0.03 0.00 -0.50 0.00 0.00 59.36 58.67 3kxr h GLU 16 Cb 0.47 -0.07 -0.04 0.00 -0.84 0.00 0.00 28.75 28.27 3kxr h GLU 16 CO -0.00 0.98 0.29 -0.44 -1.40 0.00 0.00 179.01 178.44 3kxr h ASP 17 N 0.83 0.46 -0.55 1.42 3.32 -1.60 -0.41 116.42 119.90 3kxr h ASP 17 Ca 0.13 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.21 3kxr h ASP 17 Cb 0.64 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 3kxr h ASP 17 CO 0.04 0.32 0.35 -0.07 -1.72 0.00 0.00 179.24 178.17 3kxr h LEU 18 N 0.58 0.60 -0.22 1.55 3.38 -0.98 -0.57 115.31 119.66 3kxr h LEU 18 Ca 0.21 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3kxr h LEU 18 Cb 0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3kxr h LEU 18 CO -0.11 0.43 0.10 0.40 0.09 0.00 0.00 178.44 179.34 3kxr h ILE 19 N 0.71 1.15 -0.17 1.22 1.08 -1.08 -1.76 117.51 118.66 3kxr h ILE 19 Ca 0.21 -0.44 -0.02 0.00 -0.39 0.00 0.00 64.86 64.22 3kxr h ILE 19 Cb -0.05 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.73 3kxr h ILE 19 CO -0.06 0.15 0.01 -0.08 -0.69 0.00 0.00 178.15 177.47 3kxr h GLU 20 N 0.21 0.25 -0.72 2.37 4.81 -0.74 -2.25 114.58 118.50 3kxr h GLU 20 Ca 0.07 -0.03 -0.26 0.00 -0.13 0.00 0.00 59.36 59.01 3kxr h GLU 20 Cb 0.14 -0.05 -0.16 0.00 0.63 0.00 0.00 28.75 29.32 3kxr h GLU 20 CO -0.01 0.26 0.30 0.91 -0.73 0.00 0.00 179.01 179.75 3kxr n TRP 21 N -4.40 2.35 0.21 0.92 7.02 -0.25 -4.63 117.44 118.66 3kxr n TRP 21 Ca -0.00 -1.36 0.05 0.00 -1.02 0.00 0.00 57.50 55.16 3kxr n TRP 21 Cb 0.16 -0.70 0.44 0.00 -2.42 0.00 0.00 31.31 28.80 3kxr n TRP 21 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3kxr h SER 22 N 2.08 0.00 0.72 -0.99 4.64 -0.70 -1.13 113.55 118.16 3kxr h SER 22 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3kxr h SER 22 Cb 2.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.42 3kxr h SER 22 CO 0.75 0.30 0.00 0.47 -0.87 0.00 0.00 176.83 177.48 3kxr n ASP 23 N -3.96 0.25 0.00 4.97 8.00 -1.26 -4.18 116.55 120.37 3kxr n ASP 23 Ca -0.02 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.03 3kxr n ASP 23 Cb 0.37 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 3kxr n ASP 23 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3kxr n TYR 24 N -1.77 0.00 -3.42 1.24 4.01 -0.51 -5.00 117.16 111.71 3kxr n TYR 24 Ca 0.04 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.40 3kxr n TYR 24 Cb 0.23 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.20 3kxr n TYR 24 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kxr s LEU 25 N -3.05 4.41 0.53 7.72 1.43 -0.71 -5.07 118.68 123.94 3kxr s LEU 25 Ca 0.00 0.92 -0.22 0.00 -1.03 0.00 0.00 54.13 53.81 3kxr s LEU 25 Cb 0.00 -2.64 -0.06 0.00 0.03 0.00 0.00 46.19 43.52 3kxr s LEU 25 CO 0.00 0.21 1.22 -2.65 0.23 0.00 0.00 176.35 175.36 3kxr n PRO 26 N 2.46 1.49 -0.05 1.29 -0.02 -1.26 -4.86 135.00 134.04 3kxr n PRO 26 Ca -0.11 0.55 0.02 0.00 -2.02 0.00 0.00 63.50 61.94 3kxr n PRO 26 Cb 0.52 -2.40 0.36 0.00 -0.02 0.00 0.00 33.50 31.96 3kxr n PRO 26 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kxr h GLU 27 N 1.29 0.65 -0.99 -0.52 3.07 -1.97 -1.13 114.58 114.96 3kxr h GLU 27 Ca -0.49 -0.05 0.09 0.00 -0.50 0.00 0.00 59.36 58.40 3kxr h GLU 27 Cb 1.32 -0.14 -0.07 0.00 -0.84 0.00 0.00 28.75 29.02 3kxr h GLU 27 CO 0.56 0.46 0.64 0.66 -1.40 0.00 0.00 179.01 179.93 3kxr h SER 28 N 0.66 0.99 -0.18 1.42 4.64 -1.99 0.13 113.55 119.22 3kxr h SER 28 Ca 0.17 0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.38 3kxr h SER 28 Cb -0.02 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 3kxr h SER 28 CO -0.03 0.59 -0.41 0.15 -0.87 0.00 0.00 176.83 176.26 3kxr h PHE 29 N 1.10 0.76 -0.32 4.77 3.57 -1.59 -1.97 116.94 123.25 3kxr h PHE 29 Ca 0.45 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3kxr h PHE 29 Cb 0.29 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3kxr h PHE 29 CO -0.00 1.04 0.21 1.15 -2.23 0.00 0.00 178.31 178.48 3kxr h THR 30 N 0.25 1.08 -0.83 4.41 2.02 -0.64 -1.21 112.91 117.99 3kxr h THR 30 Ca -0.00 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3kxr h THR 30 Cb 1.02 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.01 3kxr h THR 30 CO 0.09 0.08 0.53 0.44 0.37 0.00 0.00 175.52 177.03 3kxr h ASP 31 N 0.43 0.97 -0.19 4.18 3.32 -0.72 0.18 116.42 124.59 3kxr h ASP 31 Ca 0.12 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 3kxr h ASP 31 Cb -0.05 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 3kxr h ASP 31 CO -0.03 0.72 -0.42 0.03 -1.72 0.00 0.00 179.24 177.83 3kxr h ARG 32 N 1.14 0.74 -0.51 3.56 3.08 -1.03 -1.69 114.38 119.66 3kxr h ARG 32 Ca 0.30 -0.39 0.01 0.00 0.07 0.00 0.00 59.98 59.96 3kxr h ARG 32 Cb -0.10 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 3kxr h ARG 32 CO -0.06 1.01 0.34 0.00 -1.07 0.00 0.00 179.97 180.19 3kxr h ALA 33 N 0.93 0.65 -0.46 0.04 0.00 -0.45 -2.29 119.26 117.68 3kxr h ALA 33 Ca 0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3kxr h ALA 33 Cb 0.97 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3kxr h ALA 33 CO 0.09 0.09 0.10 -0.07 0.00 0.00 0.00 179.25 179.46 3kxr h LEU 34 N 0.69 0.71 -2.03 0.00 3.38 -0.88 -2.51 115.31 114.67 3kxr h LEU 34 Ca 0.19 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3kxr h LEU 34 Cb -0.08 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 3kxr h LEU 34 CO -0.04 0.77 -0.07 0.00 0.09 0.00 0.00 178.44 179.19 3kxr h ALA 35 N 0.97 1.65 -0.58 1.53 0.00 -1.16 -3.44 119.26 118.23 3kxr h ALA 35 Ca 0.14 -0.06 -0.36 0.00 0.00 0.00 0.00 54.91 54.63 3kxr h ALA 35 Cb 0.35 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.95 3kxr h ALA 35 CO 0.00 0.09 0.46 0.94 0.00 0.00 0.00 179.25 180.74 3kxr n GLN 36 N -4.11 1.88 -3.88 0.00 7.27 -0.88 -5.09 117.38 112.58 3kxr n GLN 36 Ca -0.03 -1.84 -0.25 0.00 0.07 0.00 0.00 57.00 54.96 3kxr n GLN 36 Cb 0.15 -1.72 -0.03 0.00 2.41 0.00 0.00 30.24 31.06 3kxr n GLN 36 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3kxr s GLY 38 N -0.26 1.58 0.35 1.69 0.00 -1.26 -4.96 107.32 104.46 3kxr s GLY 38 Ca 0.36 -1.04 0.05 0.00 0.00 0.00 0.00 44.72 44.09 3kxr s GLY 38 CO 0.02 -1.03 1.96 -2.09 0.00 0.00 0.00 173.10 171.96 3kxr h GLU 39 N 1.80 0.78 -0.85 2.90 4.57 -1.98 -1.04 114.58 120.75 3kxr h GLU 39 Ca -0.49 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 57.64 3kxr h GLU 39 Cb 1.20 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.58 3kxr h GLU 39 CO 0.66 0.51 0.53 0.00 -1.18 0.00 0.00 179.01 179.53 3kxr h ARG 40 N 0.80 1.15 -0.34 1.92 3.08 -2.01 -0.53 114.38 118.45 3kxr h ARG 40 Ca 0.32 -0.10 -0.17 0.00 0.07 0.00 0.00 59.98 60.10 3kxr h ARG 40 Cb 0.22 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 3kxr h ARG 40 CO -0.10 0.80 -0.44 1.96 -1.07 0.00 0.00 179.97 181.11 3kxr h GLN 41 N 1.17 0.88 -0.69 0.04 4.20 -1.75 -2.14 115.11 116.81 3kxr h GLN 41 Ca 0.31 -0.49 0.03 0.00 0.06 0.00 0.00 58.65 58.55 3kxr h GLN 41 Cb -0.07 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 3kxr h GLN 41 CO -0.06 1.14 0.46 0.00 -0.67 0.00 0.00 178.83 179.69 3kxr h ARG 42 N 0.70 0.82 -0.54 1.46 3.08 -0.83 -1.19 114.38 117.89 3kxr h ARG 42 Ca 0.04 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3kxr h ARG 42 Cb 1.03 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 3kxr h ARG 42 CO 0.10 0.54 0.02 1.96 -1.07 0.00 0.00 179.97 181.52 3kxr h GLN 43 N 0.84 0.94 -0.83 0.04 4.20 -0.75 -1.91 115.11 117.64 3kxr h GLN 43 Ca 0.27 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 3kxr h GLN 43 Cb 0.04 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 3kxr h GLN 43 CO -0.07 0.94 0.40 -0.09 -0.67 0.00 0.00 178.83 179.34 3kxr h ARG 44 N 0.82 1.20 -0.41 1.46 2.43 -0.91 -2.04 114.38 116.93 3kxr h ARG 44 Ca 0.16 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3kxr h ARG 44 Cb 0.51 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3kxr h ARG 44 CO 0.02 0.93 0.17 0.35 -1.51 0.00 0.00 179.97 179.93 3kxr h PHE 45 N 1.19 0.61 -0.61 2.20 3.57 -0.93 -1.53 116.94 121.44 3kxr h PHE 45 Ca 0.29 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 3kxr h PHE 45 Cb 0.12 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 3kxr h PHE 45 CO 0.01 0.53 0.31 0.93 -2.23 0.00 0.00 178.31 177.86 3kxr h GLU 46 N 0.51 0.85 -0.16 1.11 4.39 -0.96 0.16 114.58 120.48 3kxr h GLU 46 Ca 0.14 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 3kxr h GLU 46 Cb 0.17 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3kxr h GLU 46 CO -0.01 0.65 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.25 3kxr h LEU 47 N 0.85 0.43 -1.45 1.33 3.38 -1.17 -1.23 115.31 117.46 3kxr h LEU 47 Ca 0.21 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3kxr h LEU 47 Cb 0.06 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3kxr h LEU 47 CO -0.03 0.82 0.08 1.88 0.09 0.00 0.00 178.44 181.27 3kxr h TYR 48 N 0.04 0.44 0.00 1.13 0.99 -1.05 0.29 116.97 118.81 3kxr h TYR 48 Ca 0.03 -0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.62 3kxr h TYR 48 Cb 0.70 -0.14 -0.02 0.00 1.00 0.00 0.00 36.73 38.27 3kxr h TYR 48 CO 0.08 0.39 -0.56 0.22 -0.00 0.00 0.00 178.16 178.29 3kxr h ASP 49 N 0.44 0.00 0.25 3.88 3.58 -0.50 -3.28 116.42 120.78 3kxr h ASP 49 Ca 0.11 0.00 -0.34 0.00 0.42 0.00 0.00 57.03 57.22 3kxr h ASP 49 Cb 0.17 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.17 3kxr h ASP 49 CO -0.00 0.56 -2.00 1.67 -2.88 0.00 0.00 179.24 176.58 3kxr n GLN 50 N -3.64 0.68 -5.04 0.28 7.27 -0.48 -4.94 117.38 111.50 3kxr n GLN 50 Ca -0.01 0.21 -0.32 0.00 0.07 0.00 0.00 57.00 56.95 3kxr n GLN 50 Cb 0.61 -1.69 -0.15 0.00 2.41 0.00 0.00 30.24 31.43 3kxr n GLN 50 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 3kxr s TYR 51 N -2.56 2.59 0.92 3.69 1.51 0.96 -5.08 117.35 119.39 3kxr s TYR 51 Ca -0.13 -0.48 -0.14 0.00 -1.01 0.00 0.00 57.07 55.31 3kxr s TYR 51 Cb 0.07 -1.65 0.18 0.00 -0.11 0.00 0.00 41.96 40.46 3kxr s TYR 51 CO 0.79 -0.05 1.28 -1.54 -1.11 0.00 0.00 175.55 174.91 3kxr s SER 52 N -0.31 3.37 0.55 2.29 1.04 -1.26 -4.50 113.70 114.87 3kxr s SER 52 Ca 0.02 0.26 0.33 0.00 0.48 0.00 0.00 55.95 57.04 3kxr s SER 52 Cb -0.13 -0.38 1.57 0.00 0.10 0.00 0.00 66.02 67.19 3kxr s SER 52 CO 0.02 -2.57 2.08 1.05 0.98 0.00 0.00 173.24 174.81 3kxr h GLU 53 N -1.48 0.00 -0.42 4.02 4.11 -1.99 -1.81 114.58 117.01 3kxr h GLU 53 Ca -0.44 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 58.82 3kxr h GLU 53 Cb 1.25 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.39 3kxr h GLU 53 CO 0.41 0.07 0.03 -1.71 0.07 0.00 0.00 179.01 177.88 3kxr n ASN 54 N -3.32 3.04 -4.44 3.06 5.15 -1.26 -4.95 115.26 112.55 3kxr n ASN 54 Ca -0.01 -3.56 -0.33 0.00 -0.60 0.00 0.00 54.58 50.08 3kxr n ASN 54 Cb 0.25 -0.64 -0.13 0.00 -0.53 0.00 0.00 39.78 38.72 3kxr n ASN 54 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3kxr s GLU 55 N -3.14 3.33 0.51 1.20 2.02 -0.68 -3.48 118.70 118.46 3kxr s GLU 55 Ca 0.46 -0.62 0.24 0.00 0.02 0.00 0.00 54.97 55.07 3kxr s GLU 55 Cb 0.40 -2.69 1.39 0.00 0.10 0.00 0.00 34.13 33.33 3kxr s GLU 55 CO 0.04 0.30 2.08 0.97 0.02 0.00 0.00 175.26 178.67 3kxr h ILE 56 N 5.12 0.70 -1.10 -1.63 6.09 -0.33 -2.04 117.51 124.32 3kxr h ILE 56 Ca -0.31 -0.48 0.32 0.00 -1.37 0.00 0.00 64.86 63.02 3kxr h ILE 56 Cb 1.20 1.29 -0.12 0.00 0.47 0.00 0.00 36.82 39.66 3kxr h ILE 56 CO 0.57 0.12 0.69 1.23 -3.07 0.00 0.00 178.15 177.68 3kxr h GLY 57 N 0.65 1.50 1.88 8.18 0.00 -0.98 0.25 103.07 114.55 3kxr h GLY 57 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 3kxr h GLY 57 CO 0.02 -0.30 0.00 -0.09 0.00 0.00 0.00 176.54 176.17 3kxr h ARG 58 N 0.31 0.16 -0.37 4.80 2.43 -1.59 -2.86 114.38 117.26 3kxr h ARG 58 Ca 0.69 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.85 3kxr h ARG 58 Cb 1.81 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.33 3kxr h ARG 58 CO -0.42 0.17 0.00 0.66 -1.51 0.00 0.00 179.97 178.88 3kxr n TYR 59 N -4.44 0.81 -2.02 2.20 4.01 0.05 -4.52 117.16 113.24 3kxr n TYR 59 Ca -0.01 -0.65 -0.41 0.00 -0.16 0.00 0.00 57.90 56.67 3kxr n TYR 59 Cb 0.14 -0.16 -0.01 0.00 -0.31 0.00 0.00 39.34 38.99 3kxr n TYR 59 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3kxr s THR 60 N -1.79 2.51 -0.19 -0.72 2.01 -1.04 -4.89 115.64 111.53 3kxr s THR 60 Ca 0.35 0.51 -0.05 0.00 0.31 0.00 0.00 61.69 62.80 3kxr s THR 60 Cb 0.23 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 3kxr s THR 60 CO 0.15 0.12 0.01 -0.62 -0.69 0.00 0.00 174.62 173.58 3kxr s ASP 61 N -0.41 4.97 0.47 3.53 2.15 0.01 -4.89 116.67 122.51 3kxr s ASP 61 Ca 0.51 -0.14 0.27 0.00 0.43 0.00 0.00 52.55 53.61 3kxr s ASP 61 Cb -0.42 -1.85 0.75 0.00 -0.30 0.00 0.00 42.92 41.11 3kxr s ASP 61 CO 0.56 0.09 1.76 0.45 -0.17 0.00 0.00 175.17 177.86 3kxr h HIS 62 N 7.28 0.00 -2.87 -5.34 3.86 -1.85 0.13 115.15 116.36 3kxr h HIS 62 Ca -0.35 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.33 3kxr h HIS 62 Cb 1.18 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.67 3kxr h HIS 62 CO 0.58 0.00 0.85 -0.65 0.86 0.00 0.00 177.93 179.57 3kxr s GLN 63 N -3.38 4.26 -0.40 2.45 -0.21 -1.26 -4.84 119.66 116.28 3kxr s GLN 63 Ca 0.05 2.17 -0.18 0.00 0.02 0.00 0.00 55.36 57.41 3kxr s GLN 63 Cb 0.07 -3.40 0.01 0.00 1.00 0.00 0.00 33.01 30.69 3kxr s GLN 63 CO 0.62 -0.58 0.50 -0.51 -2.12 0.00 0.00 175.29 173.20 3kxr s LEU 65 N 1.82 4.62 0.00 2.90 1.02 -1.26 -4.72 118.68 123.06 3kxr s LEU 65 Ca 0.68 -0.41 0.02 0.00 0.02 0.00 0.00 54.13 54.44 3kxr s LEU 65 Cb -0.37 -2.51 -0.01 0.00 0.02 0.00 0.00 46.19 43.31 3kxr s LEU 65 CO 0.30 -0.59 -0.06 0.54 0.02 0.00 0.00 176.35 176.56 3kxr s VAL 66 N 2.36 0.47 0.05 -1.59 0.11 -1.26 -0.73 120.40 119.81 3kxr s VAL 66 Ca 0.16 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.82 3kxr s VAL 66 Cb -0.16 -0.42 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 3kxr s VAL 66 CO 0.15 0.04 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.15 3kxr s LEU 67 N -0.39 2.39 0.94 2.54 1.43 -0.20 -4.93 118.68 120.45 3kxr s LEU 67 Ca 0.00 -0.80 -0.15 0.00 -1.03 0.00 0.00 54.13 52.16 3kxr s LEU 67 Cb -0.04 0.05 0.17 0.00 0.03 0.00 0.00 46.19 46.40 3kxr s LEU 67 CO -0.00 -0.42 1.24 -0.94 0.23 0.00 0.00 176.35 176.46 3kxr s SER 68 N -2.34 3.31 0.00 2.29 1.04 -1.26 -1.49 113.70 115.24 3kxr s SER 68 Ca -0.01 0.53 0.09 0.00 0.48 0.00 0.00 55.95 57.05 3kxr s SER 68 Cb -0.00 -0.78 0.54 0.00 0.10 0.00 0.00 66.02 65.87 3kxr s SER 68 CO -0.05 -2.63 1.35 -0.90 0.98 0.00 0.00 173.24 171.99 3kxr n ASP 69 N -3.75 0.01 -0.20 7.02 5.68 -0.17 -1.78 116.55 123.36 3kxr n ASP 69 Ca 0.12 -1.72 0.12 0.00 -0.50 0.00 0.00 54.79 52.81 3kxr n ASP 69 Cb 0.60 -0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.81 3kxr n ASP 69 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3kxr n LYS 70 N -0.64 0.60 -2.21 0.11 4.76 -1.26 -4.62 118.16 114.91 3kxr n LYS 70 Ca 0.07 -0.40 -0.33 0.00 -2.87 0.00 0.00 58.31 54.78 3kxr n LYS 70 Cb 0.03 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 31.72 3kxr n LYS 70 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kxr s ALA 71 N -2.67 2.87 0.42 7.82 0.00 -0.73 -4.95 121.76 124.52 3kxr s ALA 71 Ca 0.18 0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.55 3kxr s ALA 71 Cb 0.18 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.08 3kxr s ALA 71 CO 0.61 -0.57 0.27 0.95 0.00 0.00 0.00 175.76 177.02 3kxr s THR 72 N -2.48 2.38 0.36 0.00 -4.23 -1.26 -1.46 115.64 108.95 3kxr s THR 72 Ca 0.62 -1.55 0.14 0.00 -1.18 0.00 0.00 61.69 59.72 3kxr s THR 72 Cb -0.14 -2.93 0.35 0.00 1.34 0.00 0.00 72.50 71.12 3kxr s THR 72 CO 0.34 0.00 1.73 0.58 -0.54 0.00 0.00 174.62 176.73 3kxr h VAL 73 N 1.23 0.49 -0.54 2.29 2.07 -0.87 -0.90 116.25 120.02 3kxr h VAL 73 Ca -0.42 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 66.97 3kxr h VAL 73 Cb 1.26 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3kxr h VAL 73 CO 0.64 0.09 0.32 0.00 0.02 0.00 0.00 177.57 178.64 3kxr h ALA 74 N 1.69 0.70 -0.62 1.67 0.00 -1.47 0.11 119.26 121.34 3kxr h ALA 74 Ca 0.64 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.46 3kxr h ALA 74 Cb 1.43 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3kxr h ALA 74 CO -0.41 0.03 0.07 1.96 0.00 0.00 0.00 179.25 180.89 3kxr h GLN 75 N 0.63 1.05 -0.30 0.00 7.50 -1.46 -2.40 115.11 120.13 3kxr h GLN 75 Ca 0.22 -0.30 -0.05 0.00 0.50 0.00 0.00 58.65 59.03 3kxr h GLN 75 Cb 0.05 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.45 3kxr h GLN 75 CO -0.11 0.99 0.01 0.00 -1.50 0.00 0.00 178.83 178.22 3kxr h ALA 76 N 1.01 0.41 -0.79 3.87 0.00 -0.97 -0.98 119.26 121.80 3kxr h ALA 76 Ca 0.18 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3kxr h ALA 76 Cb 0.48 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3kxr h ALA 76 CO 0.02 0.15 0.49 1.96 0.00 0.00 0.00 179.25 181.87 3kxr h GLN 77 N 0.33 0.91 -0.08 0.00 4.20 -0.74 -1.71 115.11 118.01 3kxr h GLN 77 Ca 0.09 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.63 3kxr h GLN 77 Cb 0.42 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3kxr h GLN 77 CO 0.01 0.60 -0.46 -0.09 -0.67 0.00 0.00 178.83 178.23 3kxr h ARG 78 N 0.93 0.20 -0.44 1.46 2.43 -1.15 -2.13 114.38 115.69 3kxr h ARG 78 Ca 0.33 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.34 3kxr h ARG 78 Cb 0.08 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3kxr h ARG 78 CO -0.14 0.62 0.05 0.35 -1.51 0.00 0.00 179.97 179.34 3kxr h PHE 79 N 0.16 0.80 -0.07 2.20 3.04 -0.31 -0.72 116.94 122.04 3kxr h PHE 79 Ca 0.01 -0.12 -0.11 0.00 3.98 0.00 0.00 57.97 61.73 3kxr h PHE 79 Cb 0.87 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.16 3kxr h PHE 79 CO 0.01 0.77 -0.46 0.74 -2.02 0.00 0.00 178.31 177.35 3kxr h PHE 80 N 0.60 0.21 0.00 0.41 0.04 -1.24 -2.88 116.94 114.08 3kxr h PHE 80 Ca 0.13 -0.06 -0.13 0.00 2.80 0.00 0.00 57.97 60.70 3kxr h PHE 80 Cb 0.42 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 3kxr h PHE 80 CO 0.03 0.61 -0.79 0.00 -0.60 0.00 0.00 178.31 177.57 3kxr h ARG 81 N 0.15 0.00 0.00 1.51 2.47 -1.09 -3.36 114.38 114.05 3kxr h ARG 81 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 3kxr h ARG 81 Cb 0.88 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.20 3kxr h ARG 81 CO 0.07 0.51 -1.04 2.89 0.56 0.00 0.00 179.97 182.96 3kxr n ARG 82 N -3.16 0.17 -5.02 0.04 1.85 -0.30 -4.90 116.66 105.33 3kxr n ARG 82 Ca -0.01 -0.02 -0.28 0.00 -1.00 0.00 0.00 57.85 56.53 3kxr n ARG 82 Cb 0.79 -1.53 -0.16 0.00 -1.05 0.00 0.00 32.46 30.50 3kxr n ARG 82 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3kxr s ILE 83 N -3.12 1.69 -0.21 8.89 -1.09 -1.10 -5.08 121.20 121.18 3kxr s ILE 83 Ca 0.05 -0.87 -0.06 0.00 -2.23 0.00 0.00 60.65 57.54 3kxr s ILE 83 Cb 0.15 -1.44 -0.03 0.00 -1.58 0.00 0.00 42.46 39.57 3kxr s ILE 83 CO 0.83 0.48 0.04 -0.70 -1.23 0.00 0.00 174.94 174.35 3kxr s GLU 84 N -0.11 3.72 -0.06 2.79 2.12 -1.26 -4.82 118.70 121.09 3kxr s GLU 84 Ca -0.02 -0.46 -0.04 0.00 0.36 0.00 0.00 54.97 54.80 3kxr s GLU 84 Cb -0.12 -3.19 0.02 0.00 0.26 0.00 0.00 34.13 31.10 3kxr s GLU 84 CO 0.02 0.02 0.14 -1.17 -0.54 0.00 0.00 175.26 173.73 3kxr s LEU 85 N 1.02 1.30 0.33 2.70 2.96 -1.26 -5.13 118.68 120.60 3kxr s LEU 85 Ca 0.03 0.29 -0.29 0.00 -0.22 0.00 0.00 54.13 53.93 3kxr s LEU 85 Cb -0.14 0.45 -0.11 0.00 0.50 0.00 0.00 46.19 46.89 3kxr s LEU 85 CO 0.02 -0.07 1.57 -0.62 -1.32 0.00 0.00 176.35 175.93 3kxr s ASP 86 N 0.32 6.33 -1.25 3.68 2.15 -1.26 -3.59 116.67 123.06 3kxr s ASP 86 Ca -0.02 3.02 -0.10 0.00 0.43 0.00 0.00 52.55 55.88 3kxr s ASP 86 Cb -0.03 -2.65 -0.01 0.00 -0.30 0.00 0.00 42.92 39.93 3kxr s ASP 86 CO -0.01 -0.92 0.67 0.00 -0.17 0.00 0.00 175.17 174.73 3kxr s ASN 88 N -3.91 2.50 0.00 0.00 3.04 -1.24 -4.41 114.94 110.93 3kxr s ASN 88 Ca 0.24 -0.50 0.05 0.00 0.04 0.00 0.00 52.86 52.69 3kxr s ASN 88 Cb -0.08 -0.82 0.08 0.00 -1.54 0.00 0.00 41.25 38.89 3kxr s ASN 88 CO 0.86 -0.17 0.91 -0.90 -3.04 0.00 0.00 177.10 174.75 3kxr n ASP 89 N 4.94 0.09 -4.22 -4.21 5.75 -1.26 -4.98 116.55 112.65 3kxr n ASP 89 Ca -0.11 -1.75 -0.13 0.00 -0.01 0.00 0.00 54.79 52.78 3kxr n ASP 89 Cb 0.49 -0.12 -0.10 0.00 -1.03 0.00 0.00 41.12 40.36 3kxr n ASP 89 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3kxr s ASN 90 N -0.94 1.48 -0.01 -1.12 0.01 -1.26 -1.18 114.94 111.92 3kxr s ASN 90 Ca 0.06 -1.04 0.01 0.00 -0.71 0.00 0.00 52.86 51.18 3kxr s ASN 90 Cb 0.07 0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.78 3kxr s ASN 90 CO -0.03 -0.42 -0.02 -0.22 -1.51 0.00 0.00 177.10 174.89 3kxr s LEU 91 N -3.13 1.89 -0.11 0.60 0.20 -0.26 -4.64 118.68 113.24 3kxr s LEU 91 Ca 0.17 -0.04 -0.04 0.00 0.69 0.00 0.00 54.13 54.90 3kxr s LEU 91 Cb 0.04 -0.14 -0.04 0.00 -0.43 0.00 0.00 46.19 45.62 3kxr s LEU 91 CO -0.00 0.01 0.05 -0.36 -0.29 0.00 0.00 176.35 175.76 3kxr s PHE 92 N 0.09 3.30 -0.14 5.38 0.08 0.09 -0.60 117.98 126.18 3kxr s PHE 92 Ca -0.01 0.28 -0.02 0.00 0.12 0.00 0.00 56.93 57.30 3kxr s PHE 92 Cb -0.03 -1.87 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 3kxr s PHE 92 CO -0.00 0.51 -0.06 0.42 -0.10 0.00 0.00 175.22 175.99 3kxr s ILE 93 N -0.77 3.71 0.18 0.64 -1.09 -0.31 -1.04 121.20 122.52 3kxr s ILE 93 Ca 0.12 -0.43 0.09 0.00 -2.23 0.00 0.00 60.65 58.20 3kxr s ILE 93 Cb -0.12 -2.60 -0.04 0.00 -1.58 0.00 0.00 42.46 38.12 3kxr s ILE 93 CO 0.03 0.52 -0.18 0.68 -1.23 0.00 0.00 174.94 174.75 3kxr s VAL 94 N 0.18 1.89 0.41 2.92 -7.23 -0.56 -0.86 120.40 117.15 3kxr s VAL 94 Ca -0.03 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.11 3kxr s VAL 94 Cb -0.14 -1.91 0.09 0.00 0.56 0.00 0.00 36.38 34.99 3kxr s VAL 94 CO 0.03 -0.33 0.56 -0.90 -0.31 0.00 0.00 175.10 174.15 3kxr n ASP 95 N 0.19 0.22 0.11 4.85 5.68 -0.73 -1.00 116.55 125.87 3kxr n ASP 95 Ca -0.12 -1.31 0.12 0.00 -0.50 0.00 0.00 54.79 52.98 3kxr n ASP 95 Cb 0.57 -0.41 0.46 0.00 -1.14 0.00 0.00 41.12 40.60 3kxr n ASP 95 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3kxr n GLU 96 N -2.14 0.20 -0.44 0.11 0.28 -1.26 -1.17 120.64 116.21 3kxr n GLU 96 Ca 0.08 0.34 0.08 0.00 -0.16 0.00 0.00 57.16 57.50 3kxr n GLU 96 Cb 0.26 -1.82 0.29 0.00 1.43 0.00 0.00 31.44 31.60 3kxr n GLU 96 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kxr n ALA 97 N -1.75 2.80 -1.13 -1.84 0.00 -1.26 -4.94 120.51 112.39 3kxr n ALA 97 Ca 0.03 -1.22 -0.04 0.00 0.00 0.00 0.00 53.44 52.21 3kxr n ALA 97 Cb 0.29 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 3kxr n ALA 97 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kxr n ASP 98 N 1.03 -3.98 -4.71 0.00 8.00 -0.31 -4.93 116.55 111.64 3kxr n ASP 98 Ca 0.21 0.11 -0.42 0.00 0.71 0.00 0.00 54.79 55.40 3kxr n ASP 98 Cb 0.68 -1.87 -0.03 0.00 -0.02 0.00 0.00 41.12 39.87 3kxr n ASP 98 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kxr s LYS 99 N -1.85 4.42 0.11 -1.24 -0.14 -1.26 -2.05 119.74 117.73 3kxr s LYS 99 Ca 0.00 1.80 -0.31 0.00 -1.36 0.00 0.00 55.97 56.10 3kxr s LYS 99 Cb 0.00 -3.33 -0.10 0.00 -1.68 0.00 0.00 37.83 32.72 3kxr s LYS 99 CO 0.00 -0.26 1.73 -0.47 -0.76 0.00 0.00 175.35 175.59 3kxr s TYR 100 N 1.01 2.36 -0.22 3.18 5.04 -0.67 -1.77 117.35 126.27 3kxr s TYR 100 Ca 0.59 0.18 0.10 0.00 -2.44 0.00 0.00 57.07 55.50 3kxr s TYR 100 Cb -0.30 -4.07 -0.20 0.00 0.35 0.00 0.00 41.96 37.73 3kxr s TYR 100 CO 0.30 -4.33 -0.08 1.28 -1.34 0.00 0.00 175.55 171.38 3kxr n LEU 101 N 5.44 1.48 0.00 6.97 4.77 -0.04 -4.93 117.00 130.69 3kxr n LEU 101 Ca 0.17 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3kxr n LEU 101 Cb 0.39 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3kxr n LEU 101 CO 0.64 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 178.01 3kxr n GLY 102 N 2.05 -1.77 3.12 -0.72 0.00 -1.19 -5.01 105.19 101.67 3kxr n GLY 102 Ca -0.38 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.26 3kxr n GLY 102 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kxr s THR 103 N -2.51 1.33 -0.05 2.61 2.01 -1.26 -1.16 115.64 116.60 3kxr s THR 103 Ca 0.00 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.34 3kxr s THR 103 Cb 0.00 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 3kxr s THR 103 CO 0.00 0.38 -0.08 0.68 -0.69 0.00 0.00 174.62 174.91 3kxr s VAL 104 N -0.04 3.58 0.02 3.82 -7.23 0.23 -0.58 120.40 120.21 3kxr s VAL 104 Ca -0.01 -0.57 -0.11 0.00 -1.81 0.00 0.00 61.98 59.48 3kxr s VAL 104 Cb -0.10 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.32 3kxr s VAL 104 CO 0.01 0.57 0.36 -0.13 -0.31 0.00 0.00 175.10 175.60 3kxr s ARG 105 N -0.89 3.76 0.18 4.82 0.52 -1.26 -1.10 118.95 124.97 3kxr s ARG 105 Ca 0.13 0.20 -0.19 0.00 -0.52 0.00 0.00 55.73 55.35 3kxr s ARG 105 Cb -0.11 -3.10 0.12 0.00 0.52 0.00 0.00 34.95 32.38 3kxr s ARG 105 CO 0.02 0.64 1.62 -0.09 0.02 0.00 0.00 175.30 177.51 3kxr h ARG 106 N 4.20 -0.13 -0.90 3.54 2.43 -1.51 -0.18 114.38 121.83 3kxr h ARG 106 Ca -0.51 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 58.72 3kxr h ARG 106 Cb 1.21 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.73 3kxr h ARG 106 CO 0.64 -0.09 0.58 -0.92 -1.51 0.00 0.00 179.97 178.67 3kxr h TYR 107 N -0.13 1.08 -0.20 2.20 3.20 -1.95 -2.24 116.97 118.93 3kxr h TYR 107 Ca 0.22 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.95 3kxr h TYR 107 Cb 0.47 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.39 3kxr h TYR 107 CO -0.49 0.60 -0.51 -0.44 -1.64 0.00 0.00 178.16 175.68 3kxr h ASP 108 N 1.10 0.80 1.03 -2.11 3.32 -1.78 -3.26 116.42 115.51 3kxr h ASP 108 Ca 0.37 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.85 3kxr h ASP 108 Cb 0.06 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3kxr h ASP 108 CO -0.14 1.22 0.00 0.16 -1.72 0.00 0.00 179.24 178.77 3kxr h ILE 109 N 0.41 0.00 -0.02 0.35 -0.00 -0.50 -0.10 117.51 117.65 3kxr h ILE 109 Ca -0.01 -0.40 0.00 0.00 -0.00 0.00 0.00 64.86 64.45 3kxr h ILE 109 Cb 1.12 1.27 0.00 0.00 -0.00 0.00 0.00 36.82 39.21 3kxr h ILE 109 CO 0.11 0.00 0.00 0.49 -0.00 0.00 0.00 178.15 178.75 3kxr n PHE 110 N -2.52 0.02 0.69 0.16 3.72 -0.90 -3.36 117.46 115.28 3kxr n PHE 110 Ca 0.02 -0.01 0.08 0.00 -0.05 0.00 0.00 57.45 57.49 3kxr n PHE 110 Cb 0.31 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.88 3kxr n PHE 110 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3kxr n LYS 111 N -0.68 1.52 -3.37 -1.08 5.02 -0.05 -5.02 118.16 114.49 3kxr n LYS 111 Ca 0.16 -1.11 -0.20 0.00 -2.02 0.00 0.00 58.31 55.15 3kxr n LYS 111 Cb 0.11 -1.28 -0.00 0.00 -0.02 0.00 0.00 35.03 33.84 3kxr n LYS 111 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3kxr s HIS 112 N -1.63 2.40 0.26 2.13 3.76 -1.21 -5.09 115.29 115.90 3kxr s HIS 112 Ca 0.16 -0.55 -0.25 0.00 -0.15 0.00 0.00 55.06 54.28 3kxr s HIS 112 Cb 0.13 -2.20 -0.09 0.00 1.11 0.00 0.00 32.58 31.53 3kxr s HIS 112 CO 0.30 -0.41 0.85 -1.21 -0.85 0.00 0.00 174.74 173.43 3kxr s GLU 113 N -4.29 4.52 0.56 1.40 0.41 -1.26 -4.96 118.70 115.08 3kxr s GLU 113 Ca 0.50 1.18 0.32 0.00 -0.41 0.00 0.00 54.97 56.57 3kxr s GLU 113 Cb -0.05 -2.96 1.64 0.00 -1.78 0.00 0.00 34.13 30.98 3kxr s GLU 113 CO 0.30 0.39 2.12 -1.35 -0.49 0.00 0.00 175.26 176.23 3kxr h PRO 114 N 3.56 0.00 0.00 0.39 0.11 -1.94 -2.37 132.00 131.76 3kxr h PRO 114 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kxr h PRO 114 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kxr h PRO 114 CO 0.66 0.07 0.00 -2.39 -0.21 0.00 0.00 178.00 176.12 3kxr n HIS 115 N -3.41 0.00 -2.56 0.65 1.44 -1.26 -1.28 115.22 108.79 3kxr n HIS 115 Ca -0.02 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.28 3kxr n HIS 115 Cb 0.22 -0.43 -0.03 0.00 0.12 0.00 0.00 29.99 29.86 3kxr n HIS 115 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3kxr s GLU 116 N -2.86 4.55 0.27 -1.40 2.02 -0.89 -4.80 118.70 115.58 3kxr s GLU 116 Ca 0.17 1.62 -0.30 0.00 0.02 0.00 0.00 54.97 56.49 3kxr s GLU 116 Cb 0.18 -3.36 -0.10 0.00 0.10 0.00 0.00 34.13 30.95 3kxr s GLU 116 CO 0.47 -0.04 1.34 -2.14 0.02 0.00 0.00 175.26 174.91 3kxr s PRO 117 N 0.46 4.34 0.39 0.39 0.02 -1.26 -0.69 135.00 138.66 3kxr s PRO 117 Ca 0.53 2.19 0.08 0.00 0.02 0.00 0.00 61.00 63.81 3kxr s PRO 117 Cb -0.26 -3.12 0.80 0.00 0.02 0.00 0.00 34.50 31.93 3kxr s PRO 117 CO 0.31 -0.27 1.97 -0.07 -0.33 0.00 0.00 177.00 178.61 3kxr h LEU 118 N 4.47 0.35 -2.80 -5.54 3.38 -1.54 -1.61 115.31 112.02 3kxr h LEU 118 Ca -0.47 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 3kxr h LEU 118 Cb 1.22 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 3kxr h LEU 118 CO 0.73 0.38 -0.00 -0.29 0.09 0.00 0.00 178.44 179.35 3kxr h ILE 119 N 0.37 0.14 -0.01 1.22 2.10 -1.82 0.10 117.51 119.62 3kxr h ILE 119 Ca 0.09 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 66.00 3kxr h ILE 119 Cb 0.20 1.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.96 3kxr h ILE 119 CO 0.00 0.00 -0.04 -1.54 -1.08 0.00 0.00 178.15 175.49 3kxr n SER 120 N -3.28 1.07 -0.91 2.19 3.41 -0.60 -4.18 113.62 111.32 3kxr n SER 120 Ca -0.03 -1.24 0.04 0.00 -0.26 0.00 0.00 58.87 57.38 3kxr n SER 120 Cb 0.08 0.01 0.15 0.00 -0.26 0.00 0.00 64.21 64.19 3kxr n SER 120 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kxr n LEU 121 N -0.25 2.34 -4.75 1.04 4.77 0.35 -5.06 117.00 115.44 3kxr n LEU 121 Ca 0.19 -3.45 -0.41 0.00 -0.03 0.00 0.00 56.01 52.31 3kxr n LEU 121 Cb 0.30 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3kxr n LEU 121 CO 0.19 1.20 0.95 -0.76 -1.33 0.00 0.00 177.39 177.64 3kxr s LEU 122 N -2.44 4.44 0.33 2.23 1.43 -1.23 -4.75 118.68 118.70 3kxr s LEU 122 Ca 0.37 2.49 -0.29 0.00 -1.03 0.00 0.00 54.13 55.68 3kxr s LEU 122 Cb 0.38 -3.63 -0.11 0.00 0.03 0.00 0.00 46.19 42.86 3kxr s LEU 122 CO -0.09 -0.46 1.42 -0.55 0.23 0.00 0.00 176.35 176.90 3kxr s SER 123 N -0.18 6.55 0.23 2.29 0.15 0.26 -4.93 113.70 118.06 3kxr s SER 123 Ca 0.52 2.85 0.05 0.00 0.70 0.00 0.00 55.95 60.07 3kxr s SER 123 Cb -0.37 -2.65 0.23 0.00 -1.71 0.00 0.00 66.02 61.52 3kxr s SER 123 CO 0.44 -0.73 1.54 -0.33 1.20 0.00 0.00 173.24 175.37 3kxr h GLU 124 N 3.63 0.18 0.00 5.44 4.39 -1.92 -3.26 114.58 123.03 3kxr h GLU 124 Ca -0.49 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.07 3kxr h GLU 124 Cb 1.23 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 3kxr h GLU 124 CO 0.68 0.77 0.00 -0.25 -1.16 0.00 0.00 179.01 179.05 3kxr n ASP 125 N -3.82 0.71 -4.67 1.42 8.00 -1.26 -4.92 116.55 112.00 3kxr n ASP 125 Ca -0.02 0.68 -0.43 0.00 0.71 0.00 0.00 54.79 55.73 3kxr n ASP 125 Cb 0.65 -0.83 -0.02 0.00 -0.02 0.00 0.00 41.12 40.90 3kxr n ASP 125 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3kxr s SER 126 N -4.32 6.88 0.21 -2.24 1.04 -1.23 -5.02 113.70 109.03 3kxr s SER 126 Ca 0.04 1.92 0.09 0.00 0.48 0.00 0.00 55.95 58.47 3kxr s SER 126 Cb 0.09 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.62 3kxr s SER 126 CO 0.40 -0.76 -0.04 0.00 0.98 0.00 0.00 173.24 173.82 3kxr s ARG 127 N 3.15 2.21 0.03 4.02 1.70 -1.26 -4.94 118.95 123.87 3kxr s ARG 127 Ca 0.61 -1.29 0.07 0.00 -0.47 0.00 0.00 55.73 54.65 3kxr s ARG 127 Cb -0.27 -2.20 -0.02 0.00 -0.57 0.00 0.00 34.95 31.89 3kxr s ARG 127 CO 0.21 0.41 -0.20 0.00 -1.08 0.00 0.00 175.30 174.64 3kxr s ALA 128 N -1.93 1.73 0.16 7.88 0.00 -1.26 -4.40 121.76 123.94 3kxr s ALA 128 Ca 0.28 -1.02 -0.24 0.00 0.00 0.00 0.00 51.96 50.97 3kxr s ALA 128 Cb -0.08 -0.35 -0.08 0.00 0.00 0.00 0.00 23.12 22.61 3kxr s ALA 128 CO 0.18 0.39 0.76 -0.51 0.00 0.00 0.00 175.76 176.57 3kxr s LEU 129 N -1.07 4.57 0.42 0.00 1.43 0.67 -4.91 118.68 119.79 3kxr s LEU 129 Ca 0.07 1.60 -0.24 0.00 -1.03 0.00 0.00 54.13 54.54 3kxr s LEU 129 Cb -0.09 -3.29 -0.09 0.00 0.03 0.00 0.00 46.19 42.76 3kxr s LEU 129 CO 0.01 0.20 1.08 0.42 0.23 0.00 0.00 176.35 178.29 3kxr s THR 130 N -1.18 3.57 0.46 5.49 -4.23 -1.26 -0.56 115.64 117.93 3kxr s THR 130 Ca 0.36 1.19 0.32 0.00 -1.18 0.00 0.00 61.69 62.37 3kxr s THR 130 Cb -0.22 -3.60 0.34 0.00 1.34 0.00 0.00 72.50 70.36 3kxr s THR 130 CO 0.25 -0.01 2.15 0.00 -0.54 0.00 0.00 174.62 176.47 3kxr h ALA 131 N 2.34 1.24 -0.01 3.99 0.00 -1.44 -0.96 119.26 124.42 3kxr h ALA 131 Ca -0.49 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3kxr h ALA 131 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3kxr h ALA 131 CO 0.62 0.08 -0.08 0.27 0.00 0.00 0.00 179.25 180.13 3kxr n ASN 132 N -3.51 0.84 -4.71 0.00 6.94 -1.26 -0.36 115.26 113.20 3kxr n ASN 132 Ca -0.02 -1.00 -0.41 0.00 -0.02 0.00 0.00 54.58 53.13 3kxr n ASN 132 Cb 0.19 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.62 3kxr n ASN 132 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3kxr n THR 133 N -0.54 2.61 -1.43 5.53 -1.04 -0.37 -4.64 114.28 114.41 3kxr n THR 133 Ca 0.17 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.05 61.36 3kxr n THR 133 Cb 0.29 -1.59 0.08 0.00 -1.82 0.00 0.00 70.33 67.29 3kxr n THR 133 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3kxr s THR 134 N -1.20 3.25 0.17 12.58 -4.23 -1.26 -0.70 115.64 124.24 3kxr s THR 134 Ca 0.61 0.47 -0.13 0.00 -1.18 0.00 0.00 61.69 61.46 3kxr s THR 134 Cb -0.50 -2.96 0.06 0.00 1.34 0.00 0.00 72.50 70.44 3kxr s THR 134 CO 0.58 -0.47 1.77 -0.07 -0.54 0.00 0.00 174.62 175.90 3kxr h LEU 135 N -0.72 0.68 -0.64 4.79 3.38 -1.90 -0.20 115.31 120.70 3kxr h LEU 135 Ca -0.45 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.28 3kxr h LEU 135 Cb 1.24 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3kxr h LEU 135 CO 0.52 0.58 -0.59 0.25 0.09 0.00 0.00 178.44 179.29 3kxr h LEU 136 N 0.73 0.33 -0.82 1.67 6.46 -1.92 -0.49 115.31 121.27 3kxr h LEU 136 Ca 0.19 -0.19 -0.10 0.00 -0.12 0.00 0.00 57.88 57.66 3kxr h LEU 136 Cb 0.05 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 3kxr h LEU 136 CO -0.03 0.85 -0.21 0.44 -0.62 0.00 0.00 178.44 178.87 3kxr h ASP 137 N 0.22 0.65 0.05 1.25 3.32 -1.84 -1.12 116.42 118.95 3kxr h ASP 137 Ca -0.00 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 3kxr h ASP 137 Cb 1.10 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3kxr h ASP 137 CO 0.09 0.86 -0.02 0.00 -1.72 0.00 0.00 179.24 178.45 3kxr h ALA 138 N 1.20 -0.07 -0.73 3.45 0.00 -0.70 -1.63 119.26 120.77 3kxr h ALA 138 Ca 0.09 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kxr h ALA 138 Cb 0.67 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3kxr h ALA 138 CO 0.05 -0.48 0.48 0.00 0.00 0.00 0.00 179.25 179.30 3kxr h ALA 139 N 0.76 0.93 -0.64 0.00 0.00 -1.00 -2.20 119.26 117.11 3kxr h ALA 139 Ca -0.01 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kxr h ALA 139 Cb 0.16 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3kxr h ALA 139 CO 0.01 0.33 0.42 0.93 0.00 0.00 0.00 179.25 180.94 3kxr h GLU 140 N 0.98 0.85 -0.79 0.00 5.08 -1.13 0.24 114.58 119.81 3kxr h GLU 140 Ca 0.27 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 3kxr h GLU 140 Cb -0.09 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 28.93 3kxr h GLU 140 CO -0.07 0.57 0.35 0.00 -1.00 0.00 0.00 179.01 178.86 3kxr h ALA 141 N 1.23 1.02 -0.00 3.43 0.00 -0.75 0.64 119.26 124.83 3kxr h ALA 141 Ca 0.23 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3kxr h ALA 141 Cb -0.09 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.40 3kxr h ALA 141 CO -0.05 0.61 -0.33 0.82 0.00 0.00 0.00 179.25 180.30 3kxr h ILE 142 N 1.12 1.52 -0.30 0.00 2.04 -1.28 -3.36 117.51 117.25 3kxr h ILE 142 Ca 0.27 -1.97 -0.00 0.00 1.00 0.00 0.00 64.86 64.16 3kxr h ILE 142 Cb 0.16 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 3kxr h ILE 142 CO -0.03 0.55 0.18 -0.08 0.00 0.00 0.00 178.15 178.77 3kxr h GLU 143 N -0.41 0.41 -2.22 2.37 4.81 -0.75 -3.11 114.58 115.68 3kxr h GLU 143 Ca -0.04 -0.04 -0.71 0.00 -0.13 0.00 0.00 59.36 58.44 3kxr h GLU 143 Cb 1.07 -0.09 -0.21 0.00 0.63 0.00 0.00 28.75 30.15 3kxr h GLU 143 CO 0.06 0.32 1.23 0.72 -0.73 0.00 0.00 179.01 180.62 3kxr n HIS 144 N -4.84 2.50 -3.76 0.92 8.25 0.20 -4.87 115.22 113.63 3kxr n HIS 144 Ca -0.02 -2.42 -0.04 0.00 -0.26 0.00 0.00 57.72 54.99 3kxr n HIS 144 Cb 0.05 -1.40 -0.01 0.00 1.12 0.00 0.00 29.99 29.76 3kxr n HIS 144 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3kxr n SER 145 N 0.48 -0.29 -1.14 0.41 3.41 -1.18 -4.93 113.62 110.38 3kxr n SER 145 Ca 0.53 -1.46 0.08 0.00 -0.26 0.00 0.00 58.87 57.76 3kxr n SER 145 Cb 0.32 0.56 0.27 0.00 -0.26 0.00 0.00 64.21 65.10 3kxr n SER 145 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3kxr n ARG 146 N -0.14 3.19 -3.69 4.33 -4.01 -1.26 -4.98 116.66 110.10 3kxr n ARG 146 Ca 0.00 -2.59 -0.30 0.00 -1.04 0.00 0.00 57.85 53.92 3kxr n ARG 146 Cb 0.14 -1.64 -0.04 0.00 -3.04 0.00 0.00 32.46 27.88 3kxr n ARG 146 CO 0.00 0.00 0.00 -1.21 -3.04 0.00 0.00 177.63 173.38 3kxr s GLU 147 N -1.62 3.58 0.00 2.89 0.41 -1.26 -5.00 118.70 117.70 3kxr s GLU 147 Ca 0.41 -0.18 0.13 0.00 -0.41 0.00 0.00 54.97 54.91 3kxr s GLU 147 Cb 0.25 -2.86 0.20 0.00 -1.78 0.00 0.00 34.13 29.95 3kxr s GLU 147 CO 0.21 0.46 1.06 0.44 -0.49 0.00 0.00 175.26 176.93 3kxr n ILE 148 N -0.11 0.39 -3.49 -1.63 -5.35 -1.26 -4.81 119.36 103.10 3kxr n ILE 148 Ca -0.03 -0.70 -0.15 0.00 -0.27 0.00 0.00 62.75 61.60 3kxr n ILE 148 Cb 0.52 0.97 -0.04 0.00 -1.74 0.00 0.00 39.64 39.35 3kxr n ILE 148 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 3kxr s GLU 149 N -1.05 1.12 0.02 6.28 -1.05 -1.26 -0.79 118.70 121.97 3kxr s GLU 149 Ca 0.20 -0.02 0.03 0.00 -0.15 0.00 0.00 54.97 55.04 3kxr s GLU 149 Cb 0.12 0.52 -0.02 0.00 -0.44 0.00 0.00 34.13 34.32 3kxr s GLU 149 CO 0.17 -0.41 -0.11 -0.51 0.95 0.00 0.00 175.26 175.36 3kxr s LEU 150 N -1.77 2.14 0.47 1.83 1.43 -0.38 -4.98 118.68 117.41 3kxr s LEU 150 Ca -0.06 -0.37 -0.22 0.00 -1.03 0.00 0.00 54.13 52.45 3kxr s LEU 150 Cb -0.00 -0.44 -0.08 0.00 0.03 0.00 0.00 46.19 45.70 3kxr s LEU 150 CO 0.01 0.01 1.11 -2.16 0.23 0.00 0.00 176.35 175.54 3kxr s PRO 151 N -0.90 3.79 -0.11 1.29 0.04 -1.26 -1.05 135.00 136.79 3kxr s PRO 151 Ca -0.00 1.61 0.01 0.00 0.04 0.00 0.00 61.00 62.65 3kxr s PRO 151 Cb -0.07 -2.31 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 3kxr s PRO 151 CO 0.01 -0.49 -0.15 0.08 0.04 0.00 0.00 177.00 176.49 3kxr s VAL 152 N -1.69 2.91 0.16 -0.36 1.01 0.71 -0.24 120.40 122.90 3kxr s VAL 152 Ca 0.65 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.99 3kxr s VAL 152 Cb -0.24 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3kxr s VAL 152 CO 0.29 0.54 -0.15 0.27 0.00 0.00 0.00 175.10 176.05 3kxr s ILE 153 N 0.20 2.94 0.58 2.22 -4.36 0.27 -1.20 121.20 121.86 3kxr s ILE 153 Ca -0.09 -1.68 -0.05 0.00 -0.26 0.00 0.00 60.65 58.57 3kxr s ILE 153 Cb -0.15 -2.42 0.13 0.00 1.25 0.00 0.00 42.46 41.26 3kxr s ILE 153 CO 0.05 -0.05 0.79 -0.90 0.24 0.00 0.00 174.94 175.08 3kxr n ASP 154 N 0.31 0.52 0.11 4.36 5.68 -0.36 -1.14 116.55 126.03 3kxr n ASP 154 Ca -0.12 -1.57 0.12 0.00 -0.50 0.00 0.00 54.79 52.72 3kxr n ASP 154 Cb 0.55 -0.56 0.45 0.00 -1.14 0.00 0.00 41.12 40.42 3kxr n ASP 154 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3kxr n ASP 155 N -3.24 0.67 -0.08 -1.12 5.68 -1.26 -2.30 116.55 114.89 3kxr n ASP 155 Ca 0.11 0.61 0.15 0.00 -0.50 0.00 0.00 54.79 55.16 3kxr n ASP 155 Cb 0.40 -0.77 0.72 0.00 -1.14 0.00 0.00 41.12 40.33 3kxr n ASP 155 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kxr n ALA 156 N -1.75 2.65 -0.46 2.12 0.00 -1.26 -4.93 120.51 116.88 3kxr n ALA 156 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3kxr n ALA 156 Cb 0.32 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.36 3kxr n ALA 156 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kxr n GLY 157 N 1.22 0.74 3.74 0.00 0.00 -0.97 -4.99 105.19 104.91 3kxr n GLY 157 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3kxr n GLY 157 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kxr s GLU 158 N -0.54 4.63 -0.30 1.61 2.02 -1.26 -1.67 118.70 123.18 3kxr s GLU 158 Ca 0.00 1.32 -0.29 0.00 0.02 0.00 0.00 54.97 56.02 3kxr s GLU 158 Cb 0.00 -3.36 -0.02 0.00 0.10 0.00 0.00 34.13 30.85 3kxr s GLU 158 CO 0.00 0.26 1.67 -1.17 0.02 0.00 0.00 175.26 176.04 3kxr s LEU 159 N -0.10 3.65 -0.01 1.80 2.96 -0.87 -1.22 118.68 124.89 3kxr s LEU 159 Ca 0.44 1.34 0.21 0.00 -0.22 0.00 0.00 54.13 55.89 3kxr s LEU 159 Cb -0.22 -3.53 -0.25 0.00 0.50 0.00 0.00 46.19 42.68 3kxr s LEU 159 CO 0.28 -1.50 0.75 2.30 -1.32 0.00 0.00 176.35 176.86 3kxr n ILE 160 N 7.01 0.00 -3.93 6.68 -5.35 -0.34 -4.97 119.36 118.46 3kxr n ILE 160 Ca 0.20 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 3kxr n ILE 160 Cb 0.46 0.71 0.00 0.00 -1.74 0.00 0.00 39.64 39.07 3kxr n ILE 160 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kxr n GLY 161 N 1.43 -0.63 3.15 3.28 0.00 -1.19 -4.57 105.19 106.66 3kxr n GLY 161 Ca 0.02 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 3kxr n GLY 161 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kxr s ARG 162 N -1.87 0.87 -0.05 1.61 1.70 0.45 -0.21 118.95 121.46 3kxr s ARG 162 Ca 0.00 -1.39 0.06 0.00 -0.47 0.00 0.00 55.73 53.93 3kxr s ARG 162 Cb 0.00 0.11 -0.01 0.00 -0.57 0.00 0.00 34.95 34.48 3kxr s ARG 162 CO 0.00 -0.18 -0.22 0.08 -1.08 0.00 0.00 175.30 173.90 3kxr s VAL 163 N -3.91 1.81 0.31 4.99 1.01 -0.21 -0.81 120.40 123.58 3kxr s VAL 163 Ca 0.19 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.27 3kxr s VAL 163 Cb 0.07 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 3kxr s VAL 163 CO -0.01 0.51 0.45 0.42 0.00 0.00 0.00 175.10 176.47 3kxr s THR 164 N -0.17 4.74 0.23 3.92 -4.23 -1.26 -1.25 115.64 117.61 3kxr s THR 164 Ca -0.01 -0.86 -0.07 0.00 -1.18 0.00 0.00 61.69 59.56 3kxr s THR 164 Cb -0.12 -3.68 0.19 0.00 1.34 0.00 0.00 72.50 70.23 3kxr s THR 164 CO 0.02 -0.31 1.85 0.25 -0.54 0.00 0.00 174.62 175.89 3kxr h LEU 165 N 0.94 0.79 -0.55 4.79 5.85 -1.30 -1.39 115.31 124.45 3kxr h LEU 165 Ca -0.49 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.31 3kxr h LEU 165 Cb 1.24 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 3kxr h LEU 165 CO 0.58 0.52 0.22 -0.09 -0.34 0.00 0.00 178.44 179.34 3kxr h ARG 166 N 0.93 0.41 -0.74 1.25 2.43 -1.95 -1.75 114.38 114.97 3kxr h ARG 166 Ca 0.34 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.44 3kxr h ARG 166 Cb 0.12 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3kxr h ARG 166 CO -0.15 0.27 0.28 0.00 -1.51 0.00 0.00 179.97 178.86 3kxr h ALA 167 N 1.35 0.96 -0.75 2.80 0.00 -1.84 -2.48 119.26 119.30 3kxr h ALA 167 Ca 0.26 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3kxr h ALA 167 Cb 0.26 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3kxr h ALA 167 CO -0.24 0.59 0.49 0.00 0.00 0.00 0.00 179.25 180.09 3kxr h ALA 168 N 1.14 1.55 -0.13 0.00 0.00 -0.60 -0.96 119.26 120.25 3kxr h ALA 168 Ca 0.24 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kxr h ALA 168 Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kxr h ALA 168 CO -0.02 0.38 0.06 1.15 0.00 0.00 0.00 179.25 180.83 3kxr h THR 169 N 0.93 1.12 0.15 0.00 2.02 -0.90 -1.67 112.91 114.55 3kxr h THR 169 Ca 0.29 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 67.14 3kxr h THR 169 Cb 0.02 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 3kxr h THR 169 CO -0.08 0.11 -0.48 0.00 0.37 0.00 0.00 175.52 175.44 3kxr h ALA 170 N 0.94 -0.90 -0.76 6.16 0.00 -1.00 -1.83 119.26 121.87 3kxr h ALA 170 Ca 0.05 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.01 3kxr h ALA 170 Cb 0.12 0.80 -0.14 0.00 0.00 0.00 0.00 17.79 18.57 3kxr h ALA 170 CO -0.01 -1.07 -0.19 -0.07 0.00 0.00 0.00 179.25 177.91 3kxr h LEU 171 N -0.74 -0.72 0.39 0.00 3.38 -1.05 0.41 115.31 116.98 3kxr h LEU 171 Ca 0.00 0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3kxr h LEU 171 Cb 0.74 0.47 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3kxr h LEU 171 CO -0.25 -0.25 -0.35 0.58 0.09 0.00 0.00 178.44 178.26 3kxr h VAL 172 N -0.00 0.00 -1.04 1.22 2.07 -1.07 -1.11 116.25 116.32 3kxr h VAL 172 Ca 0.36 0.00 0.27 0.00 0.82 0.00 0.00 66.70 68.15 3kxr h VAL 172 Cb 0.55 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.25 3kxr h VAL 172 CO -0.78 0.00 0.69 -0.09 0.02 0.00 0.00 177.57 177.41 3kxr h ARG 173 N -0.73 0.29 0.37 1.57 2.43 -0.77 0.22 114.38 117.77 3kxr h ARG 173 Ca -0.05 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 3kxr h ARG 173 Cb 0.62 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3kxr h ARG 173 CO -0.02 0.19 -0.18 0.93 -1.51 0.00 0.00 179.97 179.39 3kxr h GLU 174 N 0.30 -0.47 0.00 0.20 3.07 -0.81 -2.13 114.58 114.74 3kxr h GLU 174 Ca 0.56 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.46 3kxr h GLU 174 Cb 1.61 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.62 3kxr h GLU 174 CO -0.21 -0.24 0.00 1.58 -1.40 0.00 0.00 179.01 178.73 3kxr n HIS 175 N -5.25 0.00 0.01 4.33 -0.00 -0.10 -2.24 115.22 111.97 3kxr n HIS 175 Ca -0.10 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.07 3kxr n HIS 175 Cb 0.24 -0.45 -0.00 0.00 -0.12 0.00 0.00 29.99 29.66 3kxr n HIS 175 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 3kxr h TYR 176 N 0.00 -0.06 0.00 1.57 -1.99 -1.08 -3.50 116.97 111.91 3kxr h TYR 176 Ca 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3kxr h TYR 176 Cb 0.23 0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.98 3kxr h TYR 176 CO 0.00 -0.03 0.00 -0.85 -0.00 0.00 0.00 178.16 177.28