#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksy n VAL 2 N 0.00 -0.08 0.53 1.12 3.14 -1.26 -4.69 118.33 117.10 2ksy n VAL 2 Ca 0.00 0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.44 2ksy n VAL 2 Cb 0.00 -0.59 -0.01 0.00 -1.06 0.00 0.00 33.84 32.18 2ksy n VAL 2 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ksy n GLY 3 N -0.28 -0.11 0.18 7.55 0.00 -1.26 -4.48 105.19 106.79 2ksy n GLY 3 Ca -0.06 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 2ksy n GLY 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ksy h LEU 4 N 1.10 0.53 -1.85 0.99 5.85 -1.99 -3.14 115.31 116.80 2ksy h LEU 4 Ca 0.00 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 2ksy h LEU 4 Cb 0.38 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 2ksy h LEU 4 CO 0.00 1.12 -0.08 0.71 -0.34 0.00 0.00 178.44 179.85 2ksy h THR 5 N 0.29 1.05 -0.77 1.05 1.35 -1.87 -2.25 112.91 111.77 2ksy h THR 5 Ca -0.04 -0.27 0.12 0.00 -0.55 0.00 0.00 66.41 65.67 2ksy h THR 5 Cb 1.36 1.15 -0.05 0.00 -1.73 0.00 0.00 68.15 68.88 2ksy h THR 5 CO 0.13 0.08 0.51 0.71 -0.25 0.00 0.00 175.52 176.70 2ksy h THR 6 N 0.00 0.88 0.10 6.82 1.35 -1.81 -2.10 112.91 118.15 2ksy h THR 6 Ca -0.00 -0.20 0.02 0.00 -0.55 0.00 0.00 66.41 65.67 2ksy h THR 6 Cb 0.14 0.24 -0.03 0.00 -1.73 0.00 0.00 68.15 66.77 2ksy h THR 6 CO 0.01 0.11 -0.22 -0.07 -0.25 0.00 0.00 175.52 175.10 2ksy h LEU 7 N 0.59 -0.62 -1.38 3.87 4.07 -1.57 0.58 115.31 120.85 2ksy h LEU 7 Ca 0.37 0.07 -0.03 0.00 0.08 0.00 0.00 57.88 58.37 2ksy h LEU 7 Cb 0.61 0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.57 2ksy h LEU 7 CO -0.14 -0.31 0.10 -0.26 -1.08 0.00 0.00 178.44 176.76 2ksy h PHE 8 N -0.41 0.52 -0.63 1.13 0.04 -1.55 -1.60 116.94 114.44 2ksy h PHE 8 Ca 0.03 -0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 2ksy h PHE 8 Cb 0.43 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 2ksy h PHE 8 CO -0.21 0.45 0.16 -1.49 -0.60 0.00 0.00 178.31 176.62 2ksy h TRP 9 N 0.52 1.05 -0.10 -0.55 -0.00 -0.75 -1.98 115.95 114.14 2ksy h TRP 9 Ca 0.12 -0.12 -0.07 0.00 -0.00 0.00 0.00 58.89 58.83 2ksy h TRP 9 Cb 0.18 -0.30 -0.01 0.00 -0.00 0.00 0.00 29.16 29.03 2ksy h TRP 9 CO 0.01 0.87 -0.25 -0.07 -0.00 0.00 0.00 178.44 179.01 2ksy h LEU 10 N 0.93 0.16 -0.90 -4.49 3.38 -0.21 -2.31 115.31 111.87 2ksy h LEU 10 Ca 0.20 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 2ksy h LEU 10 Cb 0.34 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2ksy h LEU 10 CO 0.00 0.42 -0.33 1.23 0.09 0.00 0.00 178.44 179.85 2ksy h GLY 11 N 0.91 0.44 1.37 0.83 0.00 -0.62 -2.54 103.07 103.46 2ksy h GLY 11 Ca 0.03 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 2ksy h GLY 11 CO 0.04 0.36 -0.39 0.00 0.00 0.00 0.00 176.54 176.55 2ksy h ALA 12 N 1.30 0.77 0.31 3.60 0.00 -0.85 -2.63 119.26 121.76 2ksy h ALA 12 Ca 0.04 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2ksy h ALA 12 Cb 0.76 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ksy h ALA 12 CO 0.06 0.65 -0.15 0.82 0.00 0.00 0.00 179.25 180.64 2ksy h ILE 13 N 0.57 0.72 -0.84 0.00 1.08 -1.25 -1.00 117.51 116.80 2ksy h ILE 13 Ca 0.05 -0.23 0.08 0.00 -0.39 0.00 0.00 64.86 64.37 2ksy h ILE 13 Cb 0.92 0.85 -0.07 0.00 -3.07 0.00 0.00 36.82 35.45 2ksy h ILE 13 CO 0.08 0.05 0.51 1.23 -0.69 0.00 0.00 178.15 179.33 2ksy h GLY 14 N -0.53 1.28 1.01 5.37 0.00 -1.48 -1.72 103.07 107.00 2ksy h GLY 14 Ca -0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 2ksy h GLY 14 CO 0.07 0.21 0.24 -0.33 0.00 0.00 0.00 176.54 176.73 2ksy h MET 15 N 0.89 0.97 -0.96 4.80 2.86 -1.35 -2.57 114.93 119.57 2ksy h MET 15 Ca 0.38 -0.19 0.12 0.00 -2.06 0.00 0.00 59.70 57.96 2ksy h MET 15 Cb 0.25 -0.15 -0.09 0.00 0.06 0.00 0.00 31.60 31.67 2ksy h MET 15 CO -0.20 0.83 0.59 1.25 1.06 0.00 0.00 176.91 180.43 2ksy h LEU 16 N 0.91 0.84 -0.06 1.22 5.85 -0.27 0.22 115.31 124.02 2ksy h LEU 16 Ca 0.21 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 2ksy h LEU 16 Cb 0.23 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 2ksy h LEU 16 CO -0.01 0.43 0.01 0.58 -0.34 0.00 0.00 178.44 179.11 2ksy h VAL 17 N 0.91 1.22 -0.19 1.05 2.07 -1.08 -2.67 116.25 117.57 2ksy h VAL 17 Ca 0.49 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2ksy h VAL 17 Cb 0.52 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2ksy h VAL 17 CO -0.28 0.19 0.07 1.23 0.02 0.00 0.00 177.57 178.80 2ksy h GLY 18 N -0.14 0.30 0.03 2.17 0.00 -1.03 -1.71 103.07 102.68 2ksy h GLY 18 Ca 0.02 -0.16 0.16 0.00 0.00 0.00 0.00 47.33 47.35 2ksy h GLY 18 CO 0.00 0.16 0.30 -0.84 0.00 0.00 0.00 176.54 176.16 2ksy h THR 19 N 0.15 0.59 -0.25 4.70 2.02 -0.60 -0.46 112.91 119.06 2ksy h THR 19 Ca 0.06 -0.14 -0.18 0.00 0.77 0.00 0.00 66.41 66.92 2ksy h THR 19 Cb 0.18 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.74 2ksy h THR 19 CO -0.00 0.08 -0.57 -0.07 0.37 0.00 0.00 175.52 175.32 2ksy h LEU 20 N 0.41 0.86 -1.71 2.58 3.38 -1.33 -0.48 115.31 119.02 2ksy h LEU 20 Ca 0.45 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2ksy h LEU 20 Cb 0.73 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2ksy h LEU 20 CO -0.45 1.25 0.10 0.00 0.09 0.00 0.00 178.44 179.42 2ksy h ALA 21 N 0.77 1.78 0.05 1.53 0.00 -0.18 -0.79 119.26 122.42 2ksy h ALA 21 Ca 0.01 -0.05 -0.33 0.00 0.00 0.00 0.00 54.91 54.54 2ksy h ALA 21 Cb 1.16 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2ksy h ALA 21 CO 0.12 0.18 -1.87 1.19 0.00 0.00 0.00 179.25 178.87 2ksy n PHE 22 N -4.46 1.06 -0.03 0.00 3.72 -0.48 -3.21 117.46 114.06 2ksy n PHE 22 Ca 0.00 0.30 -0.12 0.00 -0.05 0.00 0.00 57.45 57.59 2ksy n PHE 22 Cb 0.11 -1.17 -0.07 0.00 -0.94 0.00 0.00 39.48 37.41 2ksy n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ksy h ALA 23 N 0.58 0.14 0.22 4.37 0.00 -0.82 0.13 119.26 123.89 2ksy h ALA 23 Ca -0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2ksy h ALA 23 Cb 2.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2ksy h ALA 23 CO 0.08 -0.22 -0.11 2.35 0.00 0.00 0.00 179.25 181.35 2ksy h TRP 24 N -0.04 -0.28 0.00 0.00 2.91 -1.34 -2.74 115.95 114.47 2ksy h TRP 24 Ca 0.03 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.05 2ksy h TRP 24 Cb 0.27 0.09 0.00 0.00 -0.51 0.00 0.00 29.16 29.01 2ksy h TRP 24 CO 0.01 0.08 0.00 0.00 -1.03 0.00 0.00 178.44 177.51 2ksy h ALA 25 N -0.06 1.00 -0.05 2.65 0.00 -1.62 -2.88 119.26 118.30 2ksy h ALA 25 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2ksy h ALA 25 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2ksy h ALA 25 CO 0.05 0.00 -0.28 0.78 0.00 0.00 0.00 179.25 179.80 2ksy h GLY 26 N 1.05 0.31 2.00 0.00 0.00 -0.59 -3.16 103.07 102.67 2ksy h GLY 26 Ca 0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 2ksy h GLY 26 CO 0.00 0.39 -0.01 3.21 0.00 0.00 0.00 176.54 180.13 2ksy h ARG 27 N -0.26 0.00 -4.33 4.80 2.47 -1.26 -3.35 114.38 112.45 2ksy h ARG 27 Ca -0.02 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 58.03 2ksy h ARG 27 Cb 0.94 0.00 -0.38 0.00 -1.65 0.00 0.00 29.97 28.88 2ksy h ARG 27 CO 0.06 0.01 -0.62 0.34 0.56 0.00 0.00 179.97 180.32 2ksy s ASP 28 N -5.55 4.89 0.00 7.04 -1.08 -1.19 -4.82 116.67 115.96 2ksy s ASP 28 Ca -0.04 -2.31 0.00 0.00 -0.52 0.00 0.00 52.55 49.67 2ksy s ASP 28 Cb 0.13 -1.71 0.00 0.00 -1.46 0.00 0.00 42.92 39.88 2ksy s ASP 28 CO 0.47 -0.41 0.00 0.00 0.52 0.00 0.00 175.17 175.75 2ksy n ALA 29 N 4.11 0.00 0.00 3.66 0.00 -1.26 -4.83 120.51 122.20 2ksy n ALA 29 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2ksy n ALA 29 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2ksy n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ksy n GLY 30 N -1.40 -1.00 3.51 0.00 0.00 -1.26 -5.07 105.19 99.96 2ksy n GLY 30 Ca 0.00 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 2ksy n GLY 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ksy s SER 31 N -4.00 6.26 0.00 1.61 1.04 -1.26 -4.32 113.70 113.03 2ksy s SER 31 Ca 0.00 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2ksy s SER 31 Cb 0.00 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.86 2ksy s SER 31 CO 0.00 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.22 2ksy n GLY 32 N 5.02 3.82 0.28 7.32 0.00 -1.26 -4.92 105.19 115.45 2ksy n GLY 32 Ca -0.05 -0.63 0.17 0.00 0.00 0.00 0.00 46.02 45.50 2ksy n GLY 32 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ksy h GLU 33 N 0.00 0.00 -1.06 1.61 5.08 -1.98 -3.08 114.58 115.14 2ksy h GLU 33 Ca 0.00 0.00 0.30 0.00 -1.00 0.00 0.00 59.36 58.66 2ksy h GLU 33 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2ksy h GLU 33 CO 0.00 0.03 0.75 0.00 -1.00 0.00 0.00 179.01 178.79 2ksy h ARG 34 N 0.00 0.07 -0.15 2.33 3.08 -1.90 0.67 114.38 118.48 2ksy h ARG 34 Ca -0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2ksy h ARG 34 Cb 0.47 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2ksy h ARG 34 CO 0.00 0.05 0.04 -0.09 -1.07 0.00 0.00 179.97 178.90 2ksy h ARG 35 N 0.07 0.24 0.00 0.04 2.43 -1.94 -1.07 114.38 114.15 2ksy h ARG 35 Ca 0.52 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.56 2ksy h ARG 35 Cb 1.94 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.45 2ksy h ARG 35 CO -0.06 0.40 -0.34 1.88 -1.51 0.00 0.00 179.97 180.34 2ksy h TYR 36 N 0.05 0.00 0.11 2.20 -1.99 -1.13 -2.59 116.97 113.62 2ksy h TYR 36 Ca 0.05 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.77 2ksy h TYR 36 Cb 0.26 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.99 2ksy h TYR 36 CO 0.01 0.34 -0.05 1.88 -0.00 0.00 0.00 178.16 180.33 2ksy h TYR 37 N 0.00 -0.14 -0.78 4.88 0.05 -1.06 -0.59 116.97 119.33 2ksy h TYR 37 Ca -0.00 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.86 2ksy h TYR 37 Cb 0.62 0.05 -0.05 0.00 1.01 0.00 0.00 36.73 38.35 2ksy h TYR 37 CO 0.00 0.34 0.51 0.28 -1.05 0.00 0.00 178.16 178.23 2ksy h VAL 38 N -0.73 0.98 0.06 -2.88 2.07 -1.18 0.15 116.25 114.72 2ksy h VAL 38 Ca -0.02 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2ksy h VAL 38 Cb 0.54 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2ksy h VAL 38 CO 0.03 0.14 -0.03 0.74 0.02 0.00 0.00 177.57 178.46 2ksy h THR 39 N 0.76 1.21 -0.16 2.57 2.02 -1.46 -1.11 112.91 116.74 2ksy h THR 39 Ca 0.35 -1.00 0.04 0.00 0.77 0.00 0.00 66.41 66.57 2ksy h THR 39 Cb 0.36 1.85 -0.04 0.00 -1.74 0.00 0.00 68.15 68.59 2ksy h THR 39 CO -0.13 0.25 -0.09 0.25 0.37 0.00 0.00 175.52 176.16 2ksy h LEU 40 N -0.54 -0.31 -1.38 2.58 5.85 -0.54 -1.10 115.31 119.88 2ksy h LEU 40 Ca -0.01 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2ksy h LEU 40 Cb 0.47 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 2ksy h LEU 40 CO 0.01 -0.13 0.14 0.58 -0.34 0.00 0.00 178.44 178.71 2ksy h VAL 41 N -0.09 1.16 -0.49 1.05 2.07 -1.05 -2.19 116.25 116.72 2ksy h VAL 41 Ca 0.09 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2ksy h VAL 41 Cb 0.23 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2ksy h VAL 41 CO -0.22 0.19 0.31 1.23 0.02 0.00 0.00 177.57 179.11 2ksy h GLY 42 N 0.73 0.69 0.42 2.17 0.00 0.07 0.10 103.07 107.25 2ksy h GLY 42 Ca 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 2ksy h GLY 42 CO -0.01 0.26 -0.17 -2.22 0.00 0.00 0.00 176.54 174.40 2ksy h ILE 43 N 0.67 0.23 0.00 2.60 2.04 -0.80 -2.26 117.51 119.98 2ksy h ILE 43 Ca 0.18 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 2ksy h ILE 43 Cb -0.06 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 2ksy h ILE 43 CO -0.04 0.06 -0.00 0.77 0.00 0.00 0.00 178.15 178.94 2ksy h SER 44 N -1.07 0.00 0.02 1.72 4.64 -1.44 -2.29 113.55 115.13 2ksy h SER 44 Ca -0.05 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2ksy h SER 44 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2ksy h SER 44 CO 0.08 0.00 -0.01 1.23 -0.87 0.00 0.00 176.83 177.26 2ksy h GLY 45 N 0.20 -0.03 1.16 -0.77 0.00 -0.79 -2.62 103.07 100.22 2ksy h GLY 45 Ca -0.00 0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.38 2ksy h GLY 45 CO 0.00 -0.01 0.46 0.16 0.00 0.00 0.00 176.54 177.15 2ksy h ILE 46 N -1.00 1.07 -0.20 2.60 3.07 -1.29 -2.29 117.51 119.46 2ksy h ILE 46 Ca -0.00 -0.27 -0.05 0.00 1.55 0.00 0.00 64.86 66.08 2ksy h ILE 46 Cb 0.30 0.21 -0.01 0.00 -0.27 0.00 0.00 36.82 37.05 2ksy h ILE 46 CO 0.00 0.14 -0.09 0.00 -1.05 0.00 0.00 178.15 177.16 2ksy h ALA 47 N 1.61 0.28 -0.98 0.16 0.00 -1.55 -2.21 119.26 116.58 2ksy h ALA 47 Ca 0.29 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 55.03 2ksy h ALA 47 Cb 0.14 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 2ksy h ALA 47 CO -0.09 0.10 0.61 0.00 0.00 0.00 0.00 179.25 179.87 2ksy h ALA 48 N 0.71 1.46 0.00 0.00 0.00 -1.02 -1.14 119.26 119.27 2ksy h ALA 48 Ca 0.05 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 2ksy h ALA 48 Cb 0.56 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2ksy h ALA 48 CO 0.03 0.21 -0.91 -0.39 0.00 0.00 0.00 179.25 178.19 2ksy h VAL 49 N 0.97 1.45 -0.45 0.00 -1.51 -1.45 -2.69 116.25 112.57 2ksy h VAL 49 Ca 0.48 -2.54 -0.07 0.00 -1.23 0.00 0.00 66.70 63.34 2ksy h VAL 49 Cb 0.47 2.45 -0.02 0.00 -2.13 0.00 0.00 31.29 32.05 2ksy h VAL 49 CO -0.26 0.75 -0.00 0.00 -1.23 0.00 0.00 177.57 176.82 2ksy h ALA 50 N 0.87 1.15 -0.16 5.19 0.00 -0.66 -1.49 119.26 124.15 2ksy h ALA 50 Ca -0.06 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.37 2ksy h ALA 50 Cb 1.54 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 19.15 2ksy h ALA 50 CO 0.15 0.55 -0.76 1.88 0.00 0.00 0.00 179.25 181.06 2ksy h TYR 51 N 0.69 1.07 -0.26 0.00 0.05 -1.25 -1.87 116.97 115.40 2ksy h TYR 51 Ca 0.14 -0.47 -0.02 0.00 0.05 0.00 0.00 58.73 58.44 2ksy h TYR 51 Cb 0.43 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 2ksy h TYR 51 CO 0.02 1.30 0.10 0.00 -1.05 0.00 0.00 178.16 178.53 2ksy h ALA 52 N 0.58 0.34 -0.20 3.88 0.00 -1.28 0.11 119.26 122.69 2ksy h ALA 52 Ca -0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2ksy h ALA 52 Cb 1.39 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2ksy h ALA 52 CO 0.16 -0.06 -0.07 -0.39 0.00 0.00 0.00 179.25 178.89 2ksy h VAL 53 N 0.27 1.29 0.00 0.00 -1.51 -1.33 -2.88 116.25 112.10 2ksy h VAL 53 Ca 0.09 -1.08 -0.04 0.00 -1.23 0.00 0.00 66.70 64.44 2ksy h VAL 53 Cb 0.18 1.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 2ksy h VAL 53 CO -0.01 0.33 -0.21 -0.03 -1.23 0.00 0.00 177.57 176.42 2ksy h MET 54 N 0.11 0.00 -0.16 5.19 -1.53 -1.30 -1.88 114.93 115.35 2ksy h MET 54 Ca 0.05 0.00 -0.05 0.00 -3.44 0.00 0.00 59.70 56.26 2ksy h MET 54 Cb 0.53 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.57 2ksy h MET 54 CO 0.02 0.21 -0.13 0.00 0.14 0.00 0.00 176.91 177.15 2ksy h ALA 55 N 1.79 1.49 -0.07 0.39 0.00 -0.56 -1.59 119.26 120.71 2ksy h ALA 55 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2ksy h ALA 55 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ksy h ALA 55 CO 0.03 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.92 2ksy n LEU 56 N -4.27 0.52 0.00 0.00 4.77 -0.75 -4.78 117.00 112.48 2ksy n LEU 56 Ca -0.01 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 2ksy n LEU 56 Cb 0.27 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2ksy n LEU 56 CO 0.38 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2ksy n GLY 57 N 0.81 0.75 3.77 -0.72 0.00 -0.60 -5.04 105.19 104.17 2ksy n GLY 57 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2ksy n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ksy s VAL 58 N -2.42 2.28 0.00 1.61 1.01 -0.93 -2.16 120.40 119.80 2ksy s VAL 58 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.25 2ksy s VAL 58 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2ksy s VAL 58 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.77 2ksy n GLY 59 N 0.58 2.97 3.59 4.51 0.00 -1.26 -4.09 105.19 111.48 2ksy n GLY 59 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2ksy n GLY 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ksy s TRP 60 N -1.33 1.22 -0.09 1.61 0.52 -0.92 -2.52 118.94 117.42 2ksy s TRP 60 Ca 0.00 0.75 0.04 0.00 0.02 0.00 0.00 56.10 56.90 2ksy s TRP 60 Cb 0.00 -3.88 -0.01 0.00 -1.15 0.00 0.00 33.47 28.43 2ksy s TRP 60 CO 0.00 -3.65 -0.22 0.54 0.02 0.00 0.00 176.95 173.64 2ksy s VAL 61 N 8.93 2.28 0.47 4.03 0.11 -0.63 -5.01 120.40 130.57 2ksy s VAL 61 Ca 0.97 -0.95 -0.22 0.00 -2.93 0.00 0.00 61.98 58.85 2ksy s VAL 61 Cb -0.29 -1.88 -0.08 0.00 -1.53 0.00 0.00 36.38 32.61 2ksy s VAL 61 CO 0.33 0.56 1.11 -2.16 -3.33 0.00 0.00 175.10 171.61 2ksy s PRO 62 N 0.19 3.77 -0.30 1.54 0.04 -1.26 -2.28 135.00 136.70 2ksy s PRO 62 Ca -0.13 1.60 -0.03 0.00 0.04 0.00 0.00 61.00 62.49 2ksy s PRO 62 Cb -0.16 -2.29 0.11 0.00 0.04 0.00 0.00 34.50 32.20 2ksy s PRO 62 CO 0.07 -0.51 0.18 0.08 0.04 0.00 0.00 177.00 176.86 2ksy s VAL 63 N -1.70 -0.14 0.00 -0.36 1.01 0.69 -4.90 120.40 115.00 2ksy s VAL 63 Ca 0.65 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2ksy s VAL 63 Cb -0.24 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.16 2ksy s VAL 63 CO 0.29 -0.68 0.00 0.00 0.00 0.00 0.00 175.10 174.71 2ksy n ALA 64 N 5.17 0.00 0.00 5.51 0.00 -1.26 -0.30 120.51 129.63 2ksy n ALA 64 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2ksy n ALA 64 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 2ksy n ALA 64 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ksy n GLU 65 N 0.00 2.39 -3.57 0.00 1.02 -1.26 -5.07 120.64 114.15 2ksy n GLU 65 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 2ksy n GLU 65 Cb 0.00 -0.80 -0.01 0.00 -0.02 0.00 0.00 31.44 30.61 2ksy n GLU 65 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2ksy s ARG 66 N -1.22 3.16 -0.03 3.49 1.70 0.59 -5.12 118.95 121.52 2ksy s ARG 66 Ca 0.00 -0.98 0.06 0.00 -0.47 0.00 0.00 55.73 54.34 2ksy s ARG 66 Cb 0.00 -2.82 -0.01 0.00 -0.57 0.00 0.00 34.95 31.55 2ksy s ARG 66 CO 0.00 0.13 -0.22 0.99 -1.08 0.00 0.00 175.30 175.12 2ksy s THR 67 N -2.14 1.73 0.05 4.99 2.01 -1.26 -0.22 115.64 120.79 2ksy s THR 67 Ca 0.43 -0.92 0.07 0.00 0.31 0.00 0.00 61.69 61.58 2ksy s THR 67 Cb -0.09 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 2ksy s THR 67 CO 0.31 0.49 -0.20 0.68 -0.69 0.00 0.00 174.62 175.21 2ksy s VAL 68 N -0.35 1.60 -0.32 3.82 -7.23 -0.96 -4.97 120.40 112.00 2ksy s VAL 68 Ca 0.04 -1.24 -0.09 0.00 -1.81 0.00 0.00 61.98 58.87 2ksy s VAL 68 Cb -0.10 -1.41 -0.00 0.00 0.56 0.00 0.00 36.38 35.43 2ksy s VAL 68 CO 0.01 0.12 0.15 -0.36 -0.31 0.00 0.00 175.10 174.71 2ksy s PHE 69 N -0.88 3.18 0.34 2.82 0.08 -1.26 -1.61 117.98 120.65 2ksy s PHE 69 Ca 0.06 -0.66 0.08 0.00 0.12 0.00 0.00 56.93 56.53 2ksy s PHE 69 Cb -0.09 -2.35 0.61 0.00 -0.57 0.00 0.00 43.02 40.62 2ksy s PHE 69 CO 0.02 -0.49 1.80 -0.24 -0.10 0.00 0.00 175.22 176.21 2ksy h VAL 70 N 5.71 1.25 0.00 -0.44 3.04 -1.83 -2.88 116.25 121.10 2ksy h VAL 70 Ca -0.31 -1.20 0.00 0.00 -1.01 0.00 0.00 66.70 64.18 2ksy h VAL 70 Cb 1.14 1.49 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 2ksy h VAL 70 CO 0.62 0.36 0.00 -0.65 -1.01 0.00 0.00 177.57 176.89 2ksy h PRO 71 N 0.20 0.00 0.19 4.17 0.11 -1.85 -2.25 132.00 132.56 2ksy h PRO 71 Ca 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 2ksy h PRO 71 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 2ksy h PRO 71 CO 0.05 0.00 -0.09 -0.09 -0.21 0.00 0.00 178.00 177.66 2ksy h ARG 72 N 0.00 -0.24 -0.12 1.05 2.43 -1.88 -1.14 114.38 114.48 2ksy h ARG 72 Ca 0.00 0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.03 2ksy h ARG 72 Cb 0.38 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2ksy h ARG 72 CO 0.00 0.15 -0.60 1.88 -1.51 0.00 0.00 179.97 179.89 2ksy h TYR 73 N -0.90 0.49 -0.36 2.20 0.05 -1.67 -2.77 116.97 114.02 2ksy h TYR 73 Ca -0.03 -0.19 -0.14 0.00 0.05 0.00 0.00 58.73 58.43 2ksy h TYR 73 Cb 0.50 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 2ksy h TYR 73 CO 0.07 0.89 -0.30 0.97 -1.05 0.00 0.00 178.16 178.74 2ksy h ILE 74 N 0.29 1.28 -0.81 -2.88 -0.00 -1.51 -2.42 117.51 111.46 2ksy h ILE 74 Ca -0.00 -1.47 0.04 0.00 -0.00 0.00 0.00 64.86 63.43 2ksy h ILE 74 Cb 1.12 1.41 -0.05 0.00 -0.00 0.00 0.00 36.82 39.30 2ksy h ILE 74 CO 0.10 0.49 0.53 -0.78 -0.00 0.00 0.00 178.15 178.49 2ksy h ASP 75 N 0.65 0.83 -0.56 2.19 3.58 -1.13 -0.96 116.42 121.02 2ksy h ASP 75 Ca 0.07 -0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.44 2ksy h ASP 75 Cb 0.88 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 2ksy h ASP 75 CO 0.08 0.56 0.08 -0.50 -2.88 0.00 0.00 179.24 176.58 2ksy h TRP 76 N 0.96 1.03 0.00 0.28 6.55 -1.24 0.19 115.95 123.72 2ksy h TRP 76 Ca 0.33 -0.14 -0.06 0.00 0.95 0.00 0.00 58.89 59.98 2ksy h TRP 76 Cb 0.10 -0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 28.11 2ksy h TRP 76 CO -0.00 0.88 -0.28 0.82 -1.05 0.00 0.00 178.44 178.81 2ksy h ILE 77 N 0.91 1.07 0.00 1.49 2.04 -0.71 0.35 117.51 122.66 2ksy h ILE 77 Ca 0.18 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 2ksy h ILE 77 Cb 0.42 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 2ksy h ILE 77 CO 0.01 0.28 -1.22 0.18 0.00 0.00 0.00 178.15 177.40 2ksy n LEU 78 N -4.01 0.73 -0.11 1.44 4.77 -0.76 -4.34 117.00 114.73 2ksy n LEU 78 Ca -0.02 0.29 -0.22 0.00 -0.03 0.00 0.00 56.01 56.04 2ksy n LEU 78 Cb 0.35 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.34 2ksy n LEU 78 CO 0.36 -0.10 -1.15 0.35 -1.33 0.00 0.00 177.39 175.53 2ksy n THR 79 N -2.66 1.38 -0.05 -5.08 -2.24 0.61 -4.39 114.28 101.85 2ksy n THR 79 Ca -0.03 -0.21 -0.09 0.00 -2.27 0.00 0.00 64.05 61.45 2ksy n THR 79 Cb 0.61 -1.95 -0.03 0.00 -2.10 0.00 0.00 70.33 66.86 2ksy n THR 79 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2ksy h THR 80 N -0.88 0.27 -0.11 4.28 2.02 -0.50 0.15 112.91 118.13 2ksy h THR 80 Ca -0.46 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.75 2ksy h THR 80 Cb 1.37 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2ksy h THR 80 CO -0.28 0.00 0.17 -0.65 0.37 0.00 0.00 175.52 175.13 2ksy h PRO 81 N -0.33 0.00 0.02 6.66 0.11 -1.76 0.22 132.00 136.92 2ksy h PRO 81 Ca 0.13 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.03 2ksy h PRO 81 Cb 0.54 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 2ksy h PRO 81 CO -0.43 0.00 -0.93 1.25 -0.21 0.00 0.00 178.00 177.68 2ksy h LEU 82 N 0.00 0.25 0.30 2.35 5.85 -0.96 -2.22 115.31 120.88 2ksy h LEU 82 Ca 0.05 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2ksy h LEU 82 Cb 0.39 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2ksy h LEU 82 CO -0.00 1.05 -0.15 0.40 -0.34 0.00 0.00 178.44 179.40 2ksy h ILE 83 N 0.09 0.71 -0.10 4.05 1.08 0.77 -1.82 117.51 122.28 2ksy h ILE 83 Ca -0.05 -0.57 -0.01 0.00 -0.39 0.00 0.00 64.86 63.84 2ksy h ILE 83 Cb 1.59 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 36.33 2ksy h ILE 83 CO 0.14 0.11 0.01 -0.37 -0.69 0.00 0.00 178.15 177.35 2ksy h VAL 84 N -0.73 1.06 -0.51 1.67 -1.51 -1.54 0.58 116.25 115.28 2ksy h VAL 84 Ca -0.04 -0.24 -0.02 0.00 -1.23 0.00 0.00 66.70 65.17 2ksy h VAL 84 Cb 0.49 0.98 -0.02 0.00 -2.13 0.00 0.00 31.29 30.61 2ksy h VAL 84 CO 0.07 0.08 0.24 0.22 -1.23 0.00 0.00 177.57 176.95 2ksy h TYR 85 N 0.14 0.70 -0.03 5.19 3.20 -1.18 -1.43 116.97 123.56 2ksy h TYR 85 Ca 0.04 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 2ksy h TYR 85 Cb 0.09 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.13 2ksy h TYR 85 CO 0.00 0.52 0.02 0.35 -1.64 0.00 0.00 178.16 177.40 2ksy h PHE 86 N 0.71 0.04 -0.45 -3.82 3.57 -0.01 -1.18 116.94 115.80 2ksy h PHE 86 Ca 0.18 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.74 2ksy h PHE 86 Cb 0.08 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2ksy h PHE 86 CO 0.01 0.12 0.30 -0.07 -2.23 0.00 0.00 178.31 176.44 2ksy h LEU 87 N -0.05 0.30 -0.77 0.59 -0.00 -1.16 -0.50 115.31 113.71 2ksy h LEU 87 Ca 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.79 2ksy h LEU 87 Cb 0.09 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 2ksy h LEU 87 CO -0.00 0.19 -0.49 1.23 -0.00 0.00 0.00 178.44 179.37 2ksy h GLY 88 N 0.34 0.00 0.82 0.83 0.00 -0.56 -2.68 103.07 101.81 2ksy h GLY 88 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.41 2ksy h GLY 88 CO -0.05 0.00 -0.37 1.41 0.00 0.00 0.00 176.54 177.53 2ksy h LEU 89 N 0.00 0.54 -1.08 3.11 3.38 0.10 0.26 115.31 121.62 2ksy h LEU 89 Ca -0.00 -0.60 -0.08 0.00 0.09 0.00 0.00 57.88 57.29 2ksy h LEU 89 Cb 1.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2ksy h LEU 89 CO 0.06 1.05 -0.38 -0.07 0.09 0.00 0.00 178.44 179.19 2ksy h LEU 90 N 0.07 0.00 0.00 1.67 3.38 -1.51 -3.30 115.31 115.63 2ksy h LEU 90 Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2ksy h LEU 90 Cb 0.99 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2ksy h LEU 90 CO 0.08 0.38 -0.80 0.00 0.09 0.00 0.00 178.44 178.19 2ksy h ALA 91 N 1.62 0.15 -1.45 1.53 0.00 -1.47 -3.42 119.26 116.22 2ksy h ALA 91 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 2ksy h ALA 91 Cb 0.82 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2ksy h ALA 91 CO 0.05 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.20 2ksy n GLY 92 N 1.52 0.91 1.71 0.00 0.00 0.90 -4.11 105.19 106.13 2ksy n GLY 92 Ca -0.21 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 2ksy n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ksy n LEU 93 N -0.73 0.00 0.00 0.99 4.32 -1.23 -5.05 117.00 115.31 2ksy n LEU 93 Ca 0.00 -0.58 -0.05 0.00 -0.02 0.00 0.00 56.01 55.36 2ksy n LEU 93 Cb 0.24 -0.48 0.02 0.00 -1.62 0.00 0.00 43.42 41.58 2ksy n LEU 93 CO 0.00 -1.48 0.12 0.47 -1.22 0.00 0.00 177.39 175.28 2ksy n ASP 94 N -3.83 0.34 -0.02 -1.43 8.00 -1.26 -4.88 116.55 113.46 2ksy n ASP 94 Ca 0.07 -1.27 -0.13 0.00 0.71 0.00 0.00 54.79 54.18 2ksy n ASP 94 Cb 0.28 -0.13 -0.08 0.00 -0.02 0.00 0.00 41.12 41.17 2ksy n ASP 94 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2ksy h SER 95 N -0.10 0.11 -0.15 -2.24 0.02 -2.00 -2.00 113.55 107.19 2ksy h SER 95 Ca -0.07 -0.39 -0.20 0.00 -0.84 0.00 0.00 61.79 60.29 2ksy h SER 95 Cb 0.27 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 62.79 2ksy h SER 95 CO 0.08 0.47 -0.69 -0.09 -1.14 0.00 0.00 176.83 175.46 2ksy h ARG 96 N -0.26 0.73 -0.52 3.45 2.43 -1.99 -3.01 114.38 115.21 2ksy h ARG 96 Ca 0.01 -0.59 0.05 0.00 -0.81 0.00 0.00 59.98 58.65 2ksy h ARG 96 Cb 0.43 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.05 2ksy h ARG 96 CO 0.01 1.20 0.24 0.93 -1.51 0.00 0.00 179.97 180.84 2ksy h GLU 97 N 0.43 0.46 -0.58 0.20 3.07 -1.95 -0.76 114.58 115.45 2ksy h GLU 97 Ca -0.04 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 2ksy h GLU 97 Cb 1.33 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 29.10 2ksy h GLU 97 CO 0.14 0.30 0.35 0.74 -1.40 0.00 0.00 179.01 179.15 2ksy h PHE 98 N 0.47 0.76 0.00 4.33 0.04 -1.39 -2.24 116.94 118.92 2ksy h PHE 98 Ca 0.24 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.96 2ksy h PHE 98 Cb 0.19 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 2ksy h PHE 98 CO -0.12 0.52 -0.23 0.78 -0.60 0.00 0.00 178.31 178.65 2ksy h GLY 99 N 0.78 0.00 1.02 -1.45 0.00 -1.25 -2.59 103.07 99.59 2ksy h GLY 99 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.43 2ksy h GLY 99 CO -0.04 0.00 -0.19 -2.22 0.00 0.00 0.00 176.54 174.09 2ksy h ILE 100 N 0.00 1.28 -0.44 2.60 2.04 -0.57 -1.20 117.51 121.22 2ksy h ILE 100 Ca -0.00 -1.32 -0.12 0.00 1.00 0.00 0.00 64.86 64.42 2ksy h ILE 100 Cb 0.42 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2ksy h ILE 100 CO 0.03 0.44 -0.18 0.58 0.00 0.00 0.00 178.15 179.03 2ksy h VAL 101 N 0.65 1.27 0.08 1.67 2.07 -1.23 -2.34 116.25 118.42 2ksy h VAL 101 Ca 0.09 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 2ksy h VAL 101 Cb 0.74 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2ksy h VAL 101 CO 0.06 0.45 -0.04 0.40 0.02 0.00 0.00 177.57 178.46 2ksy h ILE 102 N 0.73 1.16 -0.47 4.57 1.08 -1.45 -2.71 117.51 120.42 2ksy h ILE 102 Ca 0.10 -0.94 0.09 0.00 -0.39 0.00 0.00 64.86 63.72 2ksy h ILE 102 Cb 0.74 1.76 -0.03 0.00 -3.07 0.00 0.00 36.82 36.23 2ksy h ILE 102 CO 0.06 0.23 0.32 0.00 -0.69 0.00 0.00 178.15 178.07 2ksy h THR 103 N -0.54 0.89 -0.10 -0.27 1.03 -1.27 -1.61 112.91 111.05 2ksy h THR 103 Ca -0.01 -0.09 -0.02 0.00 -0.01 0.00 0.00 66.41 66.29 2ksy h THR 103 Cb 0.46 0.61 -0.00 0.00 -1.07 0.00 0.00 68.15 68.15 2ksy h THR 103 CO 0.02 0.05 0.00 0.25 -0.01 0.00 0.00 175.52 175.83 2ksy h LEU 104 N 0.26 0.17 -2.01 0.00 5.85 -1.34 -2.50 115.31 115.74 2ksy h LEU 104 Ca 0.21 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 2ksy h LEU 104 Cb 0.52 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 2ksy h LEU 104 CO -0.04 0.43 -0.09 0.78 -0.34 0.00 0.00 178.44 179.18 2ksy h ASN 105 N -0.09 0.00 0.17 1.25 -0.26 -1.00 -1.23 115.58 114.41 2ksy h ASN 105 Ca 0.03 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.76 2ksy h ASN 105 Cb 0.34 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 2ksy h ASN 105 CO 0.00 0.09 -0.08 0.74 -1.06 0.00 0.00 177.43 177.12 2ksy h THR 106 N 0.00 0.94 -0.46 2.81 2.02 -1.09 -1.63 112.91 115.49 2ksy h THR 106 Ca -0.00 -0.97 -0.08 0.00 0.77 0.00 0.00 66.41 66.13 2ksy h THR 106 Cb 0.19 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 2ksy h THR 106 CO 0.01 0.21 -0.04 1.62 0.37 0.00 0.00 175.52 177.69 2ksy h VAL 107 N -0.74 1.25 0.01 3.16 3.04 -1.27 -0.96 116.25 120.74 2ksy h VAL 107 Ca -0.02 -1.06 -0.00 0.00 -1.01 0.00 0.00 66.70 64.61 2ksy h VAL 107 Cb 0.51 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 2ksy h VAL 107 CO 0.04 0.37 -0.01 0.58 -1.01 0.00 0.00 177.57 177.54 2ksy h VAL 108 N 0.73 1.20 -0.26 1.51 2.07 -1.29 -1.83 116.25 118.38 2ksy h VAL 108 Ca 0.14 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 2ksy h VAL 108 Cb 0.50 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2ksy h VAL 108 CO 0.03 0.16 -0.05 -0.03 0.02 0.00 0.00 177.57 177.69 2ksy h MET 109 N -0.29 0.41 -0.68 1.57 4.05 -1.22 -2.18 114.93 116.59 2ksy h MET 109 Ca -0.00 -0.09 -0.04 0.00 -0.28 0.00 0.00 59.70 59.29 2ksy h MET 109 Cb 0.28 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.99 2ksy h MET 109 CO 0.00 0.49 0.28 1.25 0.23 0.00 0.00 176.91 179.16 2ksy h LEU 110 N 0.40 0.93 -0.29 3.39 6.46 -1.02 0.58 115.31 125.76 2ksy h LEU 110 Ca 0.08 -0.16 0.03 0.00 -0.12 0.00 0.00 57.88 57.70 2ksy h LEU 110 Cb 0.35 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.01 2ksy h LEU 110 CO 0.02 0.84 0.12 0.00 -0.62 0.00 0.00 178.44 178.80 2ksy h ALA 111 N 1.13 0.35 -0.13 1.25 0.00 -0.70 -2.12 119.26 119.04 2ksy h ALA 111 Ca 0.23 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 2ksy h ALA 111 Cb 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2ksy h ALA 111 CO -0.02 -0.27 -0.38 0.78 0.00 0.00 0.00 179.25 179.36 2ksy h GLY 112 N 0.27 0.29 0.03 0.00 0.00 -1.24 0.52 103.07 102.95 2ksy h GLY 112 Ca 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2ksy h GLY 112 CO -0.11 0.24 -0.08 -2.75 0.00 0.00 0.00 176.54 173.84 2ksy h PHE 113 N 0.23 -0.24 0.00 5.60 3.04 -0.21 -2.43 116.94 122.93 2ksy h PHE 113 Ca 0.02 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.94 2ksy h PHE 113 Cb 0.77 0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.37 2ksy h PHE 113 CO 0.01 -0.10 -0.21 0.00 -2.02 0.00 0.00 178.31 176.00 2ksy h ALA 114 N -1.44 1.05 -0.95 2.41 0.00 -1.55 -3.16 119.26 115.63 2ksy h ALA 114 Ca -0.00 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.84 2ksy h ALA 114 Cb 0.12 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 2ksy h ALA 114 CO -0.04 0.26 0.57 0.78 0.00 0.00 0.00 179.25 180.83 2ksy h GLY 115 N 1.89 1.55 1.30 0.00 0.00 -0.46 0.98 103.07 108.33 2ksy h GLY 115 Ca -0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 47.33 46.66 2ksy h GLY 115 CO 0.03 0.11 -1.22 0.00 0.00 0.00 0.00 176.54 175.45 2ksy h ALA 116 N 1.53 0.04 -0.33 3.60 0.00 -1.41 -3.26 119.26 119.42 2ksy h ALA 116 Ca 0.48 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2ksy h ALA 116 Cb 0.52 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2ksy h ALA 116 CO -0.29 0.72 0.00 0.00 0.00 0.00 0.00 179.25 179.69 2ksy n MET 117 N -3.77 3.22 -1.59 0.00 0.00 -0.93 -4.81 117.12 109.25 2ksy n MET 117 Ca -0.13 -1.81 -0.38 0.00 0.00 0.00 0.00 57.70 55.39 2ksy n MET 117 Cb 0.98 -1.93 0.05 0.00 0.00 0.00 0.00 33.22 32.32 2ksy n MET 117 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2ksy n VAL 118 N 0.37 3.44 1.43 3.17 0.24 0.30 -4.89 118.33 122.39 2ksy n VAL 118 Ca 0.16 -0.50 0.11 0.00 -2.04 0.00 0.00 64.34 62.06 2ksy n VAL 118 Cb 0.79 -1.08 0.43 0.00 -1.47 0.00 0.00 33.84 32.51 2ksy n VAL 118 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2ksy n PRO 119 N -0.82 1.55 0.00 7.34 -0.04 -1.26 -4.94 135.00 136.82 2ksy n PRO 119 Ca 0.13 -0.82 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 2ksy n PRO 119 Cb 0.47 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 2ksy n PRO 119 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ksy n GLY 120 N 1.05 2.15 1.75 0.55 0.00 -1.26 -5.00 105.19 104.43 2ksy n GLY 120 Ca 0.16 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.34 2ksy n GLY 120 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ksy n ILE 121 N 0.00 2.33 0.31 -0.61 -5.35 -1.26 -4.37 119.36 110.42 2ksy n ILE 121 Ca 0.00 -1.27 0.17 0.00 -0.27 0.00 0.00 62.75 61.37 2ksy n ILE 121 Cb 0.00 -0.14 0.74 0.00 -1.74 0.00 0.00 39.64 38.50 2ksy n ILE 121 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2ksy h GLU 122 N 3.93 0.00 -0.68 6.28 5.08 -1.95 -2.97 114.58 124.27 2ksy h GLU 122 Ca 0.00 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.56 2ksy h GLU 122 Cb 1.74 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.97 2ksy h GLU 122 CO 0.38 0.00 0.50 0.07 -1.00 0.00 0.00 179.01 178.96 2ksy h ARG 123 N 0.00 0.00 -0.24 2.33 0.11 -1.78 0.15 114.38 114.95 2ksy h ARG 123 Ca 0.00 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.98 2ksy h ARG 123 Cb 0.35 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.41 2ksy h ARG 123 CO 0.00 0.00 -0.27 1.88 0.10 0.00 0.00 179.97 181.68 2ksy h TYR 124 N 0.00 0.52 0.16 4.08 0.05 -1.88 -1.81 116.97 118.10 2ksy h TYR 124 Ca 0.32 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.98 2ksy h TYR 124 Cb 1.31 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.93 2ksy h TYR 124 CO 0.00 0.69 -0.08 0.00 -1.05 0.00 0.00 178.16 177.72 2ksy h ALA 125 N 1.31 -0.22 -0.10 3.88 0.00 -0.94 -1.68 119.26 121.51 2ksy h ALA 125 Ca 0.06 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.82 2ksy h ALA 125 Cb 0.68 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 2ksy h ALA 125 CO 0.05 -0.25 -0.28 -0.07 0.00 0.00 0.00 179.25 178.70 2ksy h LEU 126 N -0.96 -0.87 -1.15 0.00 3.38 -1.46 -1.21 115.31 113.04 2ksy h LEU 126 Ca -0.02 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2ksy h LEU 126 Cb 0.46 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2ksy h LEU 126 CO 0.04 -0.33 0.19 0.15 0.09 0.00 0.00 178.44 178.57 2ksy h PHE 127 N -0.37 0.79 -0.86 1.13 3.57 -1.46 -2.37 116.94 117.37 2ksy h PHE 127 Ca 0.09 -0.05 0.21 0.00 3.53 0.00 0.00 57.97 61.75 2ksy h PHE 127 Cb 0.51 -0.24 -0.13 0.00 2.79 0.00 0.00 35.95 38.88 2ksy h PHE 127 CO -0.36 0.63 0.29 0.78 -2.23 0.00 0.00 178.31 177.42 2ksy h GLY 128 N 0.92 1.37 1.41 2.40 0.00 -0.23 0.66 103.07 109.59 2ksy h GLY 128 Ca 0.18 -0.09 -0.18 0.00 0.00 0.00 0.00 47.33 47.24 2ksy h GLY 128 CO -0.01 -0.29 -0.61 1.98 0.00 0.00 0.00 176.54 177.61 2ksy h MET 129 N 0.30 0.61 0.00 4.80 1.85 -1.11 -2.88 114.93 118.51 2ksy h MET 129 Ca 0.53 -0.42 -0.06 0.00 -0.61 0.00 0.00 59.70 59.14 2ksy h MET 129 Cb 1.01 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 33.09 2ksy h MET 129 CO -0.57 1.03 -0.29 0.78 -0.40 0.00 0.00 176.91 177.46 2ksy h GLY 130 N 0.98 0.00 0.26 1.39 0.00 0.29 -0.76 103.07 105.23 2ksy h GLY 130 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2ksy h GLY 130 CO 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.60 2ksy h ALA 131 N 1.71 -0.15 -0.90 3.60 0.00 0.14 0.16 119.26 123.82 2ksy h ALA 131 Ca -0.00 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.71 2ksy h ALA 131 Cb 0.59 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2ksy h ALA 131 CO 0.04 -0.21 0.58 0.28 0.00 0.00 0.00 179.25 179.93 2ksy h VAL 132 N -0.89 1.10 -0.35 0.00 2.07 -1.50 -0.37 116.25 116.31 2ksy h VAL 132 Ca -0.02 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 2ksy h VAL 132 Cb 0.55 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 2ksy h VAL 132 CO 0.02 0.20 -0.14 0.00 0.02 0.00 0.00 177.57 177.68 2ksy h ALA 133 N 1.40 1.10 -0.05 1.67 0.00 -1.19 -2.68 119.26 119.51 2ksy h ALA 133 Ca 0.38 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2ksy h ALA 133 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2ksy h ALA 133 CO -0.15 0.56 -0.07 0.35 0.00 0.00 0.00 179.25 179.94 2ksy h PHE 134 N 0.57 -0.18 -0.58 0.00 3.57 0.10 -0.56 116.94 119.86 2ksy h PHE 134 Ca 0.10 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.70 2ksy h PHE 134 Cb 0.57 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 2ksy h PHE 134 CO 0.02 -0.12 0.39 0.82 -2.23 0.00 0.00 178.31 177.20 2ksy h ILE 135 N -0.11 0.91 -0.42 1.41 2.04 -1.17 0.16 117.51 120.34 2ksy h ILE 135 Ca 0.05 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 2ksy h ILE 135 Cb 0.17 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 2ksy h ILE 135 CO -0.11 0.07 0.09 1.23 0.00 0.00 0.00 178.15 179.44 2ksy h GLY 136 N 0.41 0.67 0.33 5.37 0.00 -0.80 0.25 103.07 109.30 2ksy h GLY 136 Ca 0.26 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 2ksy h GLY 136 CO -0.07 0.35 -0.03 -2.00 0.00 0.00 0.00 176.54 174.78 2ksy h LEU 137 N 0.61 -0.08 -1.95 3.11 5.85 0.13 -2.45 115.31 120.53 2ksy h LEU 137 Ca 0.14 -0.53 0.12 0.00 0.84 0.00 0.00 57.88 58.45 2ksy h LEU 137 Cb 0.25 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2ksy h LEU 137 CO -0.00 0.54 0.31 -0.37 -0.34 0.00 0.00 178.44 178.58 2ksy h VAL 138 N -0.77 0.81 -0.57 1.05 -1.51 -1.10 0.30 116.25 114.46 2ksy h VAL 138 Ca -0.01 -0.02 -0.06 0.00 -1.23 0.00 0.00 66.70 65.38 2ksy h VAL 138 Cb 0.60 0.74 -0.02 0.00 -2.13 0.00 0.00 31.29 30.48 2ksy h VAL 138 CO 0.02 0.01 0.12 0.22 -1.23 0.00 0.00 177.57 176.71 2ksy h TYR 139 N 0.06 0.97 -0.21 5.19 3.20 -0.87 -2.13 116.97 123.19 2ksy h TYR 139 Ca 0.21 -0.12 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 2ksy h TYR 139 Cb 0.75 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2ksy h TYR 139 CO -0.00 0.84 -0.14 1.88 -1.64 0.00 0.00 178.16 179.10 2ksy h TYR 140 N 0.82 0.36 -0.60 -3.82 0.05 0.02 1.18 116.97 114.98 2ksy h TYR 140 Ca 0.18 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 2ksy h TYR 140 Cb 0.37 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.98 2ksy h TYR 140 CO 0.03 0.47 0.32 -0.07 -1.05 0.00 0.00 178.16 177.86 2ksy h LEU 141 N 0.32 0.73 -2.89 3.88 3.38 -0.55 -2.21 115.31 117.97 2ksy h LEU 141 Ca 0.06 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2ksy h LEU 141 Cb 0.44 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2ksy h LEU 141 CO 0.03 0.59 0.00 0.52 0.09 0.00 0.00 178.44 179.67 2ksy n VAL 142 N -4.39 1.07 -0.21 1.22 0.31 -0.83 -4.49 118.33 111.01 2ksy n VAL 142 Ca 0.06 -1.04 0.00 0.00 -0.01 0.00 0.00 64.34 63.35 2ksy n VAL 142 Cb 0.10 0.46 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 2ksy n VAL 142 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ksy n GLY 143 N 0.63 1.18 0.38 2.92 0.00 0.40 -4.74 105.19 105.95 2ksy n GLY 143 Ca 0.14 -1.57 0.19 0.00 0.00 0.00 0.00 46.02 44.79 2ksy n GLY 143 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ksy h PRO 144 N 0.00 0.00 -0.98 1.61 0.11 -1.85 -1.49 132.00 129.40 2ksy h PRO 144 Ca 0.00 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.26 2ksy h PRO 144 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 2ksy h PRO 144 CO 0.00 0.00 0.61 0.52 -0.21 0.00 0.00 178.00 178.92 2ksy h MET 145 N 0.00 0.80 0.11 1.05 2.86 -1.89 0.18 114.93 118.04 2ksy h MET 145 Ca 0.16 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2ksy h MET 145 Cb 1.01 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.49 2ksy h MET 145 CO -0.00 0.53 -0.05 1.79 1.06 0.00 0.00 176.91 180.24 2ksy h THR 146 N 0.83 0.95 0.00 2.22 1.35 -1.49 -2.43 112.91 114.34 2ksy h THR 146 Ca 0.51 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 66.14 2ksy h THR 146 Cb 0.71 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 2ksy h THR 146 CO -0.29 0.06 0.00 -0.33 -0.25 0.00 0.00 175.52 174.71 2ksy h GLU 147 N -0.25 0.00 -0.07 4.72 5.08 -1.56 -2.58 114.58 119.92 2ksy h GLU 147 Ca -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2ksy h GLU 147 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2ksy h GLU 147 CO 0.02 0.00 -0.12 1.03 -1.00 0.00 0.00 179.01 178.94 2ksy h SER 148 N 0.00 0.23 0.75 1.42 0.87 -0.34 -3.30 113.55 113.18 2ksy h SER 148 Ca 0.00 -0.55 -0.21 0.00 -1.23 0.00 0.00 61.79 59.79 2ksy h SER 148 Cb 0.64 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 2ksy h SER 148 CO 0.00 0.74 -0.98 0.00 -0.53 0.00 0.00 176.83 176.06 2ksy h ALA 149 N 0.50 0.41 0.00 6.23 0.00 -1.45 -3.21 119.26 121.74 2ksy h ALA 149 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2ksy h ALA 149 Cb 0.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2ksy h ALA 149 CO 0.03 1.04 0.00 0.43 0.00 0.00 0.00 179.25 180.75 2ksy n SER 150 N -3.53 0.00 -0.77 0.00 7.64 -0.97 -1.04 113.62 114.95 2ksy n SER 150 Ca -0.03 0.29 0.08 0.00 1.01 0.00 0.00 58.87 60.22 2ksy n SER 150 Cb 0.88 -0.33 0.22 0.00 -1.01 0.00 0.00 64.21 63.97 2ksy n SER 150 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ksy n GLN 151 N -1.33 2.84 -0.12 1.43 1.13 -1.21 -4.63 117.38 115.49 2ksy n GLN 151 Ca 0.02 -2.59 -0.23 0.00 -1.94 0.00 0.00 57.00 52.25 2ksy n GLN 151 Cb 0.04 -1.66 -0.08 0.00 0.11 0.00 0.00 30.24 28.65 2ksy n GLN 151 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2ksy n ARG 152 N -0.29 0.53 -3.91 -1.09 1.74 -0.20 -5.09 116.66 108.35 2ksy n ARG 152 Ca 0.18 0.23 -0.08 0.00 -0.77 0.00 0.00 57.85 57.40 2ksy n ARG 152 Cb 0.75 -1.39 -0.02 0.00 -1.02 0.00 0.00 32.46 30.77 2ksy n ARG 152 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ksy s SER 153 N -6.99 -0.08 0.11 0.55 0.15 -1.25 -5.02 113.70 101.17 2ksy s SER 153 Ca -0.34 -0.86 -0.12 0.00 0.70 0.00 0.00 55.95 55.33 2ksy s SER 153 Cb 0.11 0.71 -0.13 0.00 -1.71 0.00 0.00 66.02 65.00 2ksy s SER 153 CO 0.44 -1.35 1.33 0.28 1.20 0.00 0.00 173.24 175.13 2ksy h SER 154 N 2.08 0.94 0.93 5.45 0.02 -1.94 -3.23 113.55 117.81 2ksy h SER 154 Ca -0.24 -0.60 -0.15 0.00 -0.84 0.00 0.00 61.79 59.96 2ksy h SER 154 Cb 1.25 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 2ksy h SER 154 CO 0.31 1.40 -0.73 1.23 -1.14 0.00 0.00 176.83 177.90 2ksy h GLY 155 N 0.60 0.00 0.84 -3.77 0.00 -1.98 -3.27 103.07 95.49 2ksy h GLY 155 Ca -0.04 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.33 2ksy h GLY 155 CO 0.15 0.00 0.49 -2.22 0.00 0.00 0.00 176.54 174.97 2ksy h ILE 156 N 0.00 1.10 -0.62 2.60 1.08 -1.88 -1.67 117.51 118.12 2ksy h ILE 156 Ca -0.01 -0.33 -0.04 0.00 -0.39 0.00 0.00 64.86 64.10 2ksy h ILE 156 Cb 1.39 0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 35.18 2ksy h ILE 156 CO 0.10 0.17 0.24 0.50 -0.69 0.00 0.00 178.15 178.47 2ksy h LYS 157 N 0.95 0.93 -0.16 2.37 3.64 -1.61 -1.14 116.57 121.56 2ksy h LYS 157 Ca 0.32 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 2ksy h LYS 157 Cb 0.04 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2ksy h LYS 157 CO -0.12 0.79 0.02 1.03 -2.27 0.00 0.00 179.45 178.90 2ksy h SER 158 N 0.87 0.25 -0.13 4.20 0.87 -1.55 -0.97 113.55 117.10 2ksy h SER 158 Ca 0.21 -0.26 -0.08 0.00 -1.23 0.00 0.00 61.79 60.42 2ksy h SER 158 Cb 0.21 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 2ksy h SER 158 CO -0.02 0.45 -0.16 0.25 -0.53 0.00 0.00 176.83 176.82 2ksy h LEU 159 N 0.04 0.50 -0.05 2.23 6.46 -1.26 -2.82 115.31 120.41 2ksy h LEU 159 Ca 0.05 -0.14 -0.09 0.00 -0.12 0.00 0.00 57.88 57.58 2ksy h LEU 159 Cb 0.31 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 2ksy h LEU 159 CO 0.00 0.68 -0.31 0.22 -0.62 0.00 0.00 178.44 178.42 2ksy h TYR 160 N 0.47 0.42 -0.35 1.25 3.20 -1.10 -2.65 116.97 118.20 2ksy h TYR 160 Ca 0.08 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.77 2ksy h TYR 160 Cb 0.55 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 2ksy h TYR 160 CO 0.02 0.93 0.23 -0.39 -1.64 0.00 0.00 178.16 177.31 2ksy h VAL 161 N -0.22 1.09 -0.26 1.81 -1.51 -1.16 0.87 116.25 116.87 2ksy h VAL 161 Ca -0.02 -0.16 -0.03 0.00 -1.23 0.00 0.00 66.70 65.25 2ksy h VAL 161 Cb 0.97 0.57 -0.01 0.00 -2.13 0.00 0.00 31.29 30.70 2ksy h VAL 161 CO 0.06 0.09 0.03 -0.09 -1.23 0.00 0.00 177.57 176.43 2ksy h ARG 162 N 0.48 0.44 0.15 5.19 2.43 -1.60 -2.00 114.38 119.47 2ksy h ARG 162 Ca 0.13 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2ksy h ARG 162 Cb -0.05 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2ksy h ARG 162 CO -0.03 0.58 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.87 2ksy h LEU 163 N 0.24 -0.17 -0.70 3.80 4.07 -1.35 -2.74 115.31 118.46 2ksy h LEU 163 Ca 0.08 -0.21 0.03 0.00 0.08 0.00 0.00 57.88 57.86 2ksy h LEU 163 Cb 0.37 0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.11 2ksy h LEU 163 CO 0.01 0.12 0.43 0.08 -1.08 0.00 0.00 178.44 178.00 2ksy h ARG 164 N -0.47 0.82 -0.25 1.13 -0.00 -0.88 -1.27 114.38 113.47 2ksy h ARG 164 Ca -0.02 -0.05 0.04 0.00 -0.00 0.00 0.00 59.98 59.95 2ksy h ARG 164 Cb 0.37 -0.19 -0.04 0.00 -0.00 0.00 0.00 29.97 30.11 2ksy h ARG 164 CO 0.03 0.55 -0.01 -0.91 -0.00 0.00 0.00 179.97 179.63 2ksy h ASN 165 N 0.85 -0.12 0.00 0.08 -0.26 -1.36 -1.50 115.58 113.27 2ksy h ASN 165 Ca 0.28 0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 56.08 2ksy h ASN 165 Cb 0.02 0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 2ksy h ASN 165 CO -0.11 -0.03 -0.00 0.25 -1.06 0.00 0.00 177.43 176.48 2ksy h LEU 166 N 0.06 -0.01 0.16 1.61 6.46 -1.14 -2.76 115.31 119.70 2ksy h LEU 166 Ca 0.12 -0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.88 2ksy h LEU 166 Cb 0.16 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 2ksy h LEU 166 CO -0.21 0.00 -0.23 0.74 -0.62 0.00 0.00 178.44 178.12 2ksy h THR 167 N -0.01 0.49 -0.77 1.05 2.02 -0.98 -2.69 112.91 112.02 2ksy h THR 167 Ca -0.00 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.31 2ksy h THR 167 Cb 0.01 0.49 -0.09 0.00 -1.74 0.00 0.00 68.15 66.82 2ksy h THR 167 CO 0.00 0.00 0.35 0.58 0.37 0.00 0.00 175.52 176.82 2ksy h VAL 168 N -0.45 0.71 0.43 3.16 2.07 -1.26 -0.02 116.25 120.89 2ksy h VAL 168 Ca 0.02 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2ksy h VAL 168 Cb 0.45 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2ksy h VAL 168 CO -0.10 0.09 -0.21 0.58 0.02 0.00 0.00 177.57 177.95 2ksy h VAL 169 N 0.52 0.00 -0.63 2.57 2.07 -1.18 -1.77 116.25 117.83 2ksy h VAL 169 Ca 0.41 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.89 2ksy h VAL 169 Cb 0.59 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2ksy h VAL 169 CO -0.37 0.00 0.23 0.17 0.02 0.00 0.00 177.57 177.62 2ksy h LEU 170 N -0.58 0.87 -1.77 2.57 8.10 -1.44 -2.04 115.31 121.02 2ksy h LEU 170 Ca -0.06 -0.13 -0.03 0.00 0.11 0.00 0.00 57.88 57.77 2ksy h LEU 170 Cb 0.45 -0.22 -0.00 0.00 -0.44 0.00 0.00 40.66 40.44 2ksy h LEU 170 CO 0.10 0.79 -0.16 -0.50 -4.11 0.00 0.00 178.44 174.56 2ksy h TRP 171 N 0.92 0.00 0.00 0.17 4.06 -1.03 -1.01 115.95 119.06 2ksy h TRP 171 Ca 0.21 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.16 2ksy h TRP 171 Cb 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.38 2ksy h TRP 171 CO 0.02 0.16 0.00 0.00 -3.56 0.00 0.00 178.44 175.06 2ksy n ALA 172 N -2.40 1.96 0.11 1.49 0.00 -0.66 -2.25 120.51 118.75 2ksy n ALA 172 Ca -0.02 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.43 2ksy n ALA 172 Cb 0.25 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.40 2ksy n ALA 172 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2ksy h ILE 173 N 0.00 0.12 -0.44 0.00 1.08 -1.22 -3.38 117.51 113.68 2ksy h ILE 173 Ca 0.00 -1.23 0.08 0.00 -0.39 0.00 0.00 64.86 63.32 2ksy h ILE 173 Cb 0.22 1.69 -0.07 0.00 -3.07 0.00 0.00 36.82 35.59 2ksy h ILE 173 CO 0.00 0.07 0.04 1.88 -0.69 0.00 0.00 178.15 179.45 2ksy h TYR 174 N 0.00 0.06 -1.11 1.37 0.05 -1.54 -0.81 116.97 114.98 2ksy h TYR 174 Ca -0.03 0.03 0.31 0.00 0.05 0.00 0.00 58.73 59.09 2ksy h TYR 174 Cb 1.12 0.04 -0.07 0.00 1.01 0.00 0.00 36.73 38.83 2ksy h TYR 174 CO 0.00 -0.05 0.76 -1.35 -1.05 0.00 0.00 178.16 176.47 2ksy h PRO 175 N 0.16 0.18 0.00 4.88 0.11 -1.78 0.48 132.00 136.04 2ksy h PRO 175 Ca 0.22 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 2ksy h PRO 175 Cb 0.30 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 2ksy h PRO 175 CO -0.32 0.12 -0.11 0.74 -0.21 0.00 0.00 178.00 178.21 2ksy h PHE 176 N 0.19 0.00 -0.21 0.65 0.04 -1.44 -3.07 116.94 113.10 2ksy h PHE 176 Ca 0.58 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.35 2ksy h PHE 176 Cb 1.89 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.03 2ksy h PHE 176 CO -0.00 1.01 0.12 0.82 -0.60 0.00 0.00 178.31 179.66 2ksy h ILE 177 N -1.00 1.06 0.07 -0.55 1.08 -0.42 0.38 117.51 118.14 2ksy h ILE 177 Ca -0.03 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 64.30 2ksy h ILE 177 Cb 0.99 0.77 0.00 0.00 -3.07 0.00 0.00 36.82 35.51 2ksy h ILE 177 CO -0.02 0.06 -0.03 -0.25 -0.69 0.00 0.00 178.15 177.22 2ksy h TRP 178 N 0.28 -0.09 0.27 1.37 7.01 -1.07 -1.21 115.95 122.52 2ksy h TRP 178 Ca 0.08 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 2ksy h TRP 178 Cb -0.01 0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.08 2ksy h TRP 178 CO 0.00 0.47 -0.13 1.25 -2.79 0.00 0.00 178.44 177.24 2ksy h LEU 179 N -0.76 -0.31 -1.62 0.65 6.46 -1.40 -3.14 115.31 115.20 2ksy h LEU 179 Ca -0.01 -0.22 -0.04 0.00 -0.12 0.00 0.00 57.88 57.49 2ksy h LEU 179 Cb 0.60 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.60 2ksy h LEU 179 CO 0.02 0.11 -0.20 -0.07 -0.62 0.00 0.00 178.44 177.68 2ksy h LEU 180 N -0.80 0.00 0.00 2.25 3.38 -0.41 -1.08 115.31 118.65 2ksy h LEU 180 Ca -0.04 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.70 2ksy h LEU 180 Cb 0.51 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.38 2ksy h LEU 180 CO 0.06 0.20 0.06 0.61 0.09 0.00 0.00 178.44 179.46 2ksy n GLY 181 N -0.94 -2.73 0.31 0.83 0.00 -0.45 0.19 105.19 102.39 2ksy n GLY 181 Ca -0.02 -1.46 0.12 0.00 0.00 0.00 0.00 46.02 44.66 2ksy n GLY 181 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ksy h PRO 182 N 0.00 0.32 -0.82 1.61 0.11 -1.84 -1.65 132.00 129.73 2ksy h PRO 182 Ca -0.24 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 66.00 2ksy h PRO 182 Cb 0.75 -0.07 -0.15 0.00 0.11 0.00 0.00 31.00 31.63 2ksy h PRO 182 CO 0.16 0.21 -0.28 -1.35 -0.21 0.00 0.00 178.00 176.53 2ksy h PRO 183 N 0.33 -0.04 0.00 1.05 0.11 -1.84 -3.40 132.00 128.22 2ksy h PRO 183 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 2ksy h PRO 183 Cb 1.03 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2ksy h PRO 183 CO -0.56 -0.02 0.00 0.41 -0.21 0.00 0.00 178.00 177.62 2ksy n GLY 184 N -1.51 0.65 0.38 -0.55 0.00 -1.02 -4.80 105.19 98.34 2ksy n GLY 184 Ca 0.10 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.29 2ksy n GLY 184 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2ksy h VAL 185 N 0.00 0.77 -5.30 1.61 -1.51 -1.37 -3.48 116.25 106.97 2ksy h VAL 185 Ca 0.00 -0.11 -0.01 0.00 -1.23 0.00 0.00 66.70 65.35 2ksy h VAL 185 Cb 0.00 0.42 0.00 0.00 -2.13 0.00 0.00 31.29 29.58 2ksy h VAL 185 CO 0.00 0.06 -0.69 0.00 -1.23 0.00 0.00 177.57 175.70 2ksy n ALA 186 N -2.55 -3.13 -0.11 5.19 0.00 -0.65 -4.99 120.51 114.27 2ksy n ALA 186 Ca 0.14 0.92 -0.24 0.00 0.00 0.00 0.00 53.44 54.26 2ksy n ALA 186 Cb 0.57 -2.81 -0.11 0.00 0.00 0.00 0.00 19.45 17.10 2ksy n ALA 186 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ksy n LEU 187 N 0.05 1.89 0.00 0.00 4.77 0.13 -4.93 117.00 118.92 2ksy n LEU 187 Ca 0.07 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2ksy n LEU 187 Cb 0.32 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2ksy n LEU 187 CO 0.46 0.35 0.00 0.18 -1.33 0.00 0.00 177.39 177.06 2ksy n LEU 188 N -4.38 0.00 -4.80 2.23 4.32 -1.26 -5.04 117.00 108.07 2ksy n LEU 188 Ca -0.38 0.00 -0.38 0.00 -0.02 0.00 0.00 56.01 55.23 2ksy n LEU 188 Cb 0.74 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.48 2ksy n LEU 188 CO 0.15 -0.24 0.20 -0.89 -1.22 0.00 0.00 177.39 175.39 2ksy s THR 189 N -0.46 4.94 0.40 -5.08 2.01 -1.26 -4.90 115.64 111.30 2ksy s THR 189 Ca 0.00 1.04 0.23 0.00 0.31 0.00 0.00 61.69 63.27 2ksy s THR 189 Cb 0.00 -3.82 0.42 0.00 0.01 0.00 0.00 72.50 69.11 2ksy s THR 189 CO 0.00 0.50 1.66 -0.65 -0.69 0.00 0.00 174.62 175.45 2ksy h PRO 190 N 5.15 0.20 0.15 4.92 0.11 -1.98 0.13 132.00 140.68 2ksy h PRO 190 Ca -0.48 -0.01 -0.29 0.00 0.11 0.00 0.00 66.00 65.33 2ksy h PRO 190 Cb 1.21 -0.05 0.03 0.00 0.11 0.00 0.00 31.00 32.30 2ksy h PRO 190 CO 0.66 0.13 -1.22 0.00 -0.21 0.00 0.00 178.00 177.36 2ksy h THR 191 N 0.21 1.32 -0.11 -1.15 1.03 -2.00 -3.17 112.91 109.04 2ksy h THR 191 Ca 0.75 -2.51 -0.00 0.00 -0.01 0.00 0.00 66.41 64.64 2ksy h THR 191 Cb 2.09 2.84 -0.01 0.00 -1.07 0.00 0.00 68.15 72.01 2ksy h THR 191 CO -0.45 0.75 0.05 0.58 -0.01 0.00 0.00 175.52 176.44 2ksy h VAL 192 N 0.15 1.12 -0.48 0.00 2.07 -1.22 -2.25 116.25 115.64 2ksy h VAL 192 Ca -0.20 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 67.03 2ksy h VAL 192 Cb 1.92 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.79 2ksy h VAL 192 CO 0.23 0.11 0.19 0.44 0.02 0.00 0.00 177.57 178.56 2ksy h ASP 193 N 0.05 0.22 -0.73 0.57 3.32 -1.24 -1.29 116.42 117.32 2ksy h ASP 193 Ca 0.04 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.16 2ksy h ASP 193 Cb 0.13 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 2ksy h ASP 193 CO -0.00 0.16 0.48 0.58 -1.72 0.00 0.00 179.24 178.74 2ksy h VAL 194 N 0.37 1.15 -0.84 -1.35 2.07 -1.50 -1.66 116.25 114.49 2ksy h VAL 194 Ca 0.22 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.44 2ksy h VAL 194 Cb 0.21 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 2ksy h VAL 194 CO -0.21 0.17 0.55 0.00 0.02 0.00 0.00 177.57 178.10 2ksy h ALA 195 N 1.56 1.09 -0.46 1.67 0.00 -0.63 -0.05 119.26 122.44 2ksy h ALA 195 Ca 0.28 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 2ksy h ALA 195 Cb -0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2ksy h ALA 195 CO -0.07 0.42 -0.16 -0.07 0.00 0.00 0.00 179.25 179.37 2ksy h LEU 196 N 1.10 0.88 0.62 0.00 3.38 -0.90 -1.33 115.31 119.06 2ksy h LEU 196 Ca 0.32 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2ksy h LEU 196 Cb -0.06 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.46 2ksy h LEU 196 CO -0.09 1.03 -0.30 0.40 0.09 0.00 0.00 178.44 179.58 2ksy h ILE 197 N 0.78 0.38 -0.77 1.22 1.08 -0.56 0.23 117.51 119.87 2ksy h ILE 197 Ca 0.12 -0.04 0.15 0.00 -0.39 0.00 0.00 64.86 64.69 2ksy h ILE 197 Cb 0.69 0.40 -0.05 0.00 -3.07 0.00 0.00 36.82 34.79 2ksy h ILE 197 CO 0.05 0.01 0.51 0.58 -0.69 0.00 0.00 178.15 178.61 2ksy h VAL 198 N -0.86 0.80 -0.12 1.67 2.07 -1.01 0.24 116.25 119.05 2ksy h VAL 198 Ca -0.08 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.16 2ksy h VAL 198 Cb 0.65 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2ksy h VAL 198 CO 0.14 0.08 -0.46 0.22 0.02 0.00 0.00 177.57 177.57 2ksy h TYR 199 N 0.45 0.34 -0.36 1.57 3.20 -0.55 -1.41 116.97 120.22 2ksy h TYR 199 Ca 0.38 -0.10 -0.16 0.00 3.14 0.00 0.00 58.73 61.99 2ksy h TYR 199 Cb 0.83 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 2ksy h TYR 199 CO -0.00 0.70 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.74 2ksy h LEU 200 N 0.23 0.94 -0.47 2.82 3.38 0.28 -0.30 115.31 122.19 2ksy h LEU 200 Ca 0.01 -0.44 -0.17 0.00 0.09 0.00 0.00 57.88 57.37 2ksy h LEU 200 Cb 0.91 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2ksy h LEU 200 CO 0.07 1.22 -0.68 0.44 0.09 0.00 0.00 178.44 179.58 2ksy h ASP 201 N 0.72 0.44 0.97 -0.43 3.32 -1.20 -2.70 116.42 117.54 2ksy h ASP 201 Ca 0.05 -0.28 -0.11 0.00 0.02 0.00 0.00 57.03 56.71 2ksy h ASP 201 Cb 0.99 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 2ksy h ASP 201 CO 0.10 1.00 -0.54 -0.07 -1.72 0.00 0.00 179.24 178.01 2ksy h LEU 202 N 0.27 0.00 0.14 1.55 3.38 -1.16 -3.23 115.31 116.25 2ksy h LEU 202 Ca -0.02 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.66 2ksy h LEU 202 Cb 1.24 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.01 2ksy h LEU 202 CO 0.12 0.54 -1.28 1.62 0.09 0.00 0.00 178.44 179.52 2ksy h VAL 203 N 0.00 1.43 0.00 1.22 3.04 -0.99 -2.38 116.25 118.57 2ksy h VAL 203 Ca -0.01 -2.91 0.00 0.00 -1.01 0.00 0.00 66.70 62.77 2ksy h VAL 203 Cb 1.16 2.92 0.00 0.00 -2.01 0.00 0.00 31.29 33.37 2ksy h VAL 203 CO 0.07 0.86 0.00 0.41 -1.01 0.00 0.00 177.57 177.90 2ksy n THR 204 N -3.60 0.00 0.00 3.17 -1.04 -1.03 -0.04 114.28 111.74 2ksy n THR 204 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2ksy n THR 204 Cb 1.03 -0.48 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 2ksy n THR 204 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2ksy n VAL 206 N -0.68 0.00 0.22 12.58 0.31 -0.90 -2.54 118.33 127.32 2ksy n VAL 206 Ca 0.03 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.19 2ksy n VAL 206 Cb 0.02 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.85 2ksy n VAL 206 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2ksy h GLY 207 N 0.00 -1.22 2.00 2.92 0.00 -0.57 0.02 103.07 106.22 2ksy h GLY 207 Ca 0.00 0.61 -0.11 0.00 0.00 0.00 0.00 47.33 47.83 2ksy h GLY 207 CO 0.00 -0.34 -0.52 0.27 0.00 0.00 0.00 176.54 175.95 2ksy h PHE 208 N -0.88 0.00 -0.32 5.60 -5.15 -1.66 -2.76 116.94 111.77 2ksy h PHE 208 Ca -0.04 0.00 -0.09 0.00 -0.20 0.00 0.00 57.97 57.64 2ksy h PHE 208 Cb 0.80 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.96 2ksy h PHE 208 CO -0.32 0.52 -0.16 0.78 -2.00 0.00 0.00 178.31 177.12 2ksy h GLY 209 N 2.57 0.61 0.72 6.09 0.00 -1.73 1.71 103.07 113.04 2ksy h GLY 209 Ca -0.01 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 46.73 2ksy h GLY 209 CO 0.07 0.42 -0.53 0.74 0.00 0.00 0.00 176.54 177.24 2ksy h PHE 210 N 0.51 0.54 0.00 5.60 0.04 -0.96 -2.32 116.94 120.36 2ksy h PHE 210 Ca 0.09 -0.29 -0.04 0.00 2.80 0.00 0.00 57.97 60.52 2ksy h PHE 210 Cb 0.58 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 2ksy h PHE 210 CO 0.02 1.11 -0.21 0.82 -0.60 0.00 0.00 178.31 179.45 2ksy h ILE 211 N -0.17 0.91 -0.39 -0.55 2.04 -1.35 -2.11 117.51 115.89 2ksy h ILE 211 Ca -0.06 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 2ksy h ILE 211 Cb 1.25 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 2ksy h ILE 211 CO 0.10 0.21 0.19 0.00 0.00 0.00 0.00 178.15 178.65 2ksy h ALA 212 N 1.79 0.50 0.24 1.87 0.00 0.28 -0.81 119.26 123.13 2ksy h ALA 212 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2ksy h ALA 212 Cb 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ksy h ALA 212 CO 0.03 0.06 -0.11 -0.07 0.00 0.00 0.00 179.25 179.16 2ksy h LEU 213 N 0.49 -0.27 -0.89 0.00 3.38 -0.98 -1.29 115.31 115.75 2ksy h LEU 213 Ca 0.13 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 57.95 2ksy h LEU 213 Cb 0.12 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 2ksy h LEU 213 CO -0.02 0.18 0.53 -0.78 0.09 0.00 0.00 178.44 178.45 2ksy h ASP 214 N -0.81 0.78 0.38 -0.43 3.58 -1.43 0.77 116.42 119.27 2ksy h ASP 214 Ca -0.03 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 2ksy h ASP 214 Cb 0.51 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.45 2ksy h ASP 214 CO 0.05 0.44 -0.18 0.00 -2.88 0.00 0.00 179.24 176.67 2ksy h ALA 215 N 1.48 -0.51 -0.72 -0.78 0.00 -1.19 -2.49 119.26 115.05 2ksy h ALA 215 Ca 0.43 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.28 2ksy h ALA 215 Cb 0.38 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2ksy h ALA 215 CO -0.25 -0.53 0.48 0.00 0.00 0.00 0.00 179.25 178.95 2ksy h ALA 216 N -0.80 1.95 -0.51 0.00 0.00 -1.11 -0.56 119.26 118.24 2ksy h ALA 216 Ca -0.05 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 2ksy h ALA 216 Cb 0.51 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2ksy h ALA 216 CO 0.09 -0.12 -0.08 0.00 0.00 0.00 0.00 179.25 179.13 2ksy h ALA 217 N 1.65 0.69 -0.53 0.00 0.00 -0.88 -2.67 119.26 117.52 2ksy h ALA 217 Ca 0.34 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2ksy h ALA 217 Cb 0.61 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2ksy h ALA 217 CO -0.12 0.57 0.05 1.15 0.00 0.00 0.00 179.25 180.91 2ksy h THR 218 N 0.81 1.24 -0.34 0.00 2.02 -0.66 0.22 112.91 116.20 2ksy h THR 218 Ca 0.13 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 2ksy h THR 218 Cb 0.63 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2ksy h THR 218 CO 0.04 0.35 0.19 -0.07 0.37 0.00 0.00 175.52 176.40 2ksy h LEU 219 N 0.81 0.43 0.00 2.58 3.38 -1.11 -2.37 115.31 119.03 2ksy h LEU 219 Ca 0.16 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2ksy h LEU 219 Cb 0.41 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2ksy h LEU 219 CO 0.01 0.39 -0.17 0.54 0.09 0.00 0.00 178.44 179.30 2ksy n ARG 220 N -4.78 0.24 -0.04 1.13 3.00 -1.02 -1.61 116.66 113.58 2ksy n ARG 220 Ca -0.01 0.16 -0.13 0.00 -0.01 0.00 0.00 57.85 57.86 2ksy n ARG 220 Cb 0.08 -1.74 -0.09 0.00 0.00 0.00 0.00 32.46 30.71 2ksy n ARG 220 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ksy h ALA 221 N 2.57 0.11 0.01 7.54 0.00 -0.06 -3.33 119.26 126.11 2ksy h ALA 221 Ca 0.00 -0.32 -0.30 0.00 0.00 0.00 0.00 54.91 54.29 2ksy h ALA 221 Cb 0.71 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2ksy h ALA 221 CO 0.00 -0.03 -1.81 -0.85 0.00 0.00 0.00 179.25 176.57 2ksy n GLU 222 N -4.65 0.64 -3.06 0.00 0.28 -0.99 -5.03 120.64 107.83 2ksy n GLU 222 Ca -0.07 0.26 -0.27 0.00 -0.16 0.00 0.00 57.16 56.91 2ksy n GLU 222 Cb 0.34 -1.76 0.03 0.00 1.43 0.00 0.00 31.44 31.48 2ksy n GLU 222 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 2ksy n HIS 223 N -3.03 -1.84 -2.20 -1.84 1.44 -0.64 -4.85 115.22 102.26 2ksy n HIS 223 Ca -0.20 0.77 -0.40 0.00 -2.01 0.00 0.00 57.72 55.89 2ksy n HIS 223 Cb 1.06 -1.35 0.03 0.00 0.12 0.00 0.00 29.99 29.85 2ksy n HIS 223 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2ksy n GLY 224 N 0.10 5.76 3.73 -1.39 0.00 -1.26 -5.00 105.19 107.13 2ksy n GLY 224 Ca -0.06 -2.52 -0.41 0.00 0.00 0.00 0.00 46.02 43.03 2ksy n GLY 224 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ksy s GLU 225 N -4.17 4.67 -0.01 1.61 2.02 -1.26 -4.99 118.70 116.57 2ksy s GLU 225 Ca 0.47 1.41 -0.20 0.00 0.02 0.00 0.00 54.97 56.67 2ksy s GLU 225 Cb 0.34 -3.38 -0.11 0.00 0.10 0.00 0.00 34.13 31.08 2ksy s GLU 225 CO -0.30 0.21 0.85 1.03 0.02 0.00 0.00 175.26 177.07 2ksy h SER 226 N 5.61 -0.61 -2.25 -0.19 0.87 -2.04 -3.42 113.55 111.52 2ksy h SER 226 Ca -0.43 0.01 -0.56 0.00 -1.23 0.00 0.00 61.79 59.58 2ksy h SER 226 Cb 1.21 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 2ksy h SER 226 CO 0.72 -0.20 1.34 -0.76 -0.53 0.00 0.00 176.83 177.40 2ksy s LEU 227 N -9.32 3.89 0.00 2.23 1.43 -1.26 -4.66 118.68 110.99 2ksy s LEU 227 Ca -0.11 2.15 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 2ksy s LEU 227 Cb 0.01 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.71 2ksy s LEU 227 CO 0.33 -1.52 0.00 0.00 0.23 0.00 0.00 176.35 175.39 2ksy n ALA 228 N 9.66 0.00 -1.77 4.21 0.00 -1.26 -5.12 120.51 126.23 2ksy n ALA 228 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.31 2ksy n ALA 228 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.88 2ksy n ALA 228 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ksy s GLY 229 N 0.00 2.80 0.00 0.00 0.00 -1.26 -4.99 107.32 103.87 2ksy s GLY 229 Ca 0.00 1.01 -0.26 0.00 0.00 0.00 0.00 44.72 45.48 2ksy s GLY 229 CO 0.00 1.48 0.79 0.14 0.00 0.00 0.00 173.10 175.52 2ksy s VAL 230 N -1.49 4.85 -0.60 1.40 1.01 -1.26 -4.99 120.40 119.31 2ksy s VAL 230 Ca 0.65 1.67 -0.27 0.00 0.00 0.00 0.00 61.98 64.03 2ksy s VAL 230 Cb -0.31 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 2ksy s VAL 230 CO 0.37 0.29 1.68 -0.62 0.00 0.00 0.00 175.10 176.82 2ksy s ASP 231 N 0.42 5.62 0.00 3.32 2.15 -1.26 -4.70 116.67 122.23 2ksy s ASP 231 Ca 0.41 0.27 0.00 0.00 0.43 0.00 0.00 52.55 53.66 2ksy s ASP 231 Cb -0.20 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 2ksy s ASP 231 CO 0.23 -2.11 0.60 0.35 -0.17 0.00 0.00 175.17 174.06 2ksy n THR 232 N 7.02 0.36 1.77 1.71 -2.24 -1.26 -4.72 114.28 116.92 2ksy n THR 232 Ca 0.16 -0.45 0.03 0.00 -2.27 0.00 0.00 64.05 61.52 2ksy n THR 232 Cb 0.51 0.97 0.12 0.00 -2.10 0.00 0.00 70.33 69.83 2ksy n THR 232 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2ksy n ASP 233 N -0.18 0.41 -4.76 3.42 5.75 -1.26 -4.90 116.55 115.03 2ksy n ASP 233 Ca 0.00 -1.90 -0.40 0.00 -0.01 0.00 0.00 54.79 52.47 2ksy n ASP 233 Cb 0.28 -0.05 0.01 0.00 -1.03 0.00 0.00 41.12 40.34 2ksy n ASP 233 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 2ksy n THR 234 N -0.32 2.60 -0.93 2.12 5.66 -1.26 -5.01 114.28 117.14 2ksy n THR 234 Ca 0.05 -0.50 -0.08 0.00 -3.05 0.00 0.00 64.05 60.47 2ksy n THR 234 Cb 0.08 -1.83 0.06 0.00 -1.55 0.00 0.00 70.33 67.09 2ksy n THR 234 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2ksy n PRO 235 N -0.03 -0.96 -4.13 1.09 -0.04 -1.26 -5.10 135.00 124.56 2ksy n PRO 235 Ca 0.05 -0.49 -0.12 0.00 -0.04 0.00 0.00 63.50 62.89 2ksy n PRO 235 Cb 0.41 -0.39 -0.11 0.00 -0.04 0.00 0.00 33.50 33.37 2ksy n PRO 235 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ksy s ALA 236 N -3.48 0.86 -0.23 0.55 0.00 -1.26 -5.05 121.76 113.14 2ksy s ALA 236 Ca 0.19 -1.12 0.13 0.00 0.00 0.00 0.00 51.96 51.16 2ksy s ALA 236 Cb -0.01 0.10 0.55 0.00 0.00 0.00 0.00 23.12 23.75 2ksy s ALA 236 CO 0.14 -0.13 1.48 1.33 0.00 0.00 0.00 175.76 178.58 2ksy n VAL 237 N 0.58 2.45 0.33 0.00 0.24 -1.26 -4.53 118.33 116.15 2ksy n VAL 237 Ca -0.17 -2.13 0.13 0.00 -2.04 0.00 0.00 64.34 60.14 2ksy n VAL 237 Cb 0.58 -0.29 0.30 0.00 -1.47 0.00 0.00 33.84 32.96 2ksy n VAL 237 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ksy h ALA 238 N 1.60 1.00 -2.91 2.33 0.00 -2.05 -3.50 119.26 115.74 2ksy h ALA 238 Ca 0.11 0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.25 2ksy h ALA 238 Cb 1.63 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.29 2ksy h ALA 238 CO 0.34 0.00 -1.00 -0.25 0.00 0.00 0.00 179.25 178.34 2ksy n ASP 239 N -2.87 -6.50 -0.05 0.00 8.00 -1.26 -4.96 116.55 108.91 2ksy n ASP 239 Ca 0.04 1.27 -0.06 0.00 0.71 0.00 0.00 54.79 56.75 2ksy n ASP 239 Cb 0.47 -4.05 -0.02 0.00 -0.02 0.00 0.00 41.12 37.50 2ksy n ASP 239 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2ksy n LEU 240 N -3.61 1.36 -4.71 0.64 4.77 -1.26 -5.07 117.00 109.12 2ksy n LEU 240 Ca -0.06 0.22 -0.29 0.00 -0.03 0.00 0.00 56.01 55.86 2ksy n LEU 240 Cb 0.53 -0.61 -0.08 0.00 -2.33 0.00 0.00 43.42 40.92 2ksy n LEU 240 CO 0.03 -0.39 -0.23 -1.83 -1.33 0.00 0.00 177.39 173.64 2ksy s GLU 241 N -2.33 2.11 -0.16 3.23 -1.05 -1.26 -5.10 118.70 114.14 2ksy s GLU 241 Ca -0.18 -2.13 -0.16 0.00 -0.15 0.00 0.00 54.97 52.35 2ksy s GLU 241 Cb 0.03 -1.72 -0.05 0.00 -0.44 0.00 0.00 34.13 31.94 2ksy s GLU 241 CO 0.27 -0.19 -0.32 0.72 0.95 0.00 0.00 175.26 176.69 2ksy n HIS 242 N -1.17 0.00 -4.47 4.83 8.25 -1.26 -5.07 115.22 116.33 2ksy n HIS 242 Ca -0.08 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.16 2ksy n HIS 242 Cb 0.66 -0.45 -0.10 0.00 1.12 0.00 0.00 29.99 31.22 2ksy n HIS 242 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2ksy s HIS 243 N -2.74 1.95 -0.05 4.41 0.00 -1.26 -5.15 115.29 112.45 2ksy s HIS 243 Ca -0.26 -0.99 -0.07 0.00 -3.00 0.00 0.00 55.06 50.74 2ksy s HIS 243 Cb 0.04 -1.28 -0.04 0.00 -4.00 0.00 0.00 32.58 27.29 2ksy s HIS 243 CO 0.39 -0.02 0.22 -3.38 -1.00 0.00 0.00 174.74 170.95 2ksy s HIS 244 N -3.27 3.60 0.32 0.38 -3.43 -1.26 -4.94 115.29 106.68 2ksy s HIS 244 Ca 0.34 0.56 0.00 0.00 -0.80 0.00 0.00 55.06 55.16 2ksy s HIS 244 Cb 0.08 -1.97 0.00 0.00 -1.43 0.00 0.00 32.58 29.26 2ksy s HIS 244 CO 0.15 0.67 0.00 1.58 -2.00 0.00 0.00 174.74 175.14 2ksy n HIS 245 N 1.49 -3.50 0.04 0.38 -0.00 -1.26 -4.97 115.22 107.40 2ksy n HIS 245 Ca -0.15 0.96 0.01 0.00 -0.00 0.00 0.00 57.72 58.54 2ksy n HIS 245 Cb 0.54 2.39 -0.01 0.00 -0.00 0.00 0.00 29.99 32.90 2ksy n HIS 245 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2ksy n HIS 246 N -3.23 0.00 -0.40 1.57 -0.00 -1.26 -5.34 115.22 106.56 2ksy n HIS 246 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2ksy n HIS 246 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 29.97 2ksy n HIS 246 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06