#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 0.00 0.26 2.03 3.14 -1.26 -4.96 118.33 117.55 2ksy n VAL 2 Ca 0.00 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.47 2ksy n VAL 2 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 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 -0.82 -0.79 0.22 7.55 0.00 -1.26 -4.41 105.19 105.68 2ksy n GLY 3 Ca 0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 0.73 -1.38 0.99 7.12 -1.99 -3.07 115.31 117.71 2ksy h LEU 4 Ca 0.00 -0.40 -0.05 0.00 0.13 0.00 0.00 57.88 57.56 2ksy h LEU 4 Cb 0.71 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.62 2ksy h LEU 4 CO 0.00 1.15 -0.11 0.71 -0.13 0.00 0.00 178.44 180.06 2ksy h THR 5 N 0.50 1.18 -0.67 1.05 1.35 -1.85 -2.52 112.91 111.95 2ksy h THR 5 Ca 0.00 -0.77 0.07 0.00 -0.55 0.00 0.00 66.41 65.17 2ksy h THR 5 Cb 1.14 1.16 -0.04 0.00 -1.73 0.00 0.00 68.15 68.68 2ksy h THR 5 CO 0.11 0.24 0.44 0.71 -0.25 0.00 0.00 175.52 176.78 2ksy h THR 6 N 0.27 0.99 -0.04 6.82 1.35 -1.74 -1.98 112.91 118.57 2ksy h THR 6 Ca 0.06 -0.22 0.02 0.00 -0.55 0.00 0.00 66.41 65.72 2ksy h THR 6 Cb 0.36 0.29 -0.02 0.00 -1.73 0.00 0.00 68.15 67.05 2ksy h THR 6 CO 0.02 0.12 -0.07 -0.07 -0.25 0.00 0.00 175.52 175.26 2ksy h LEU 7 N 0.64 -0.22 -1.22 3.87 -0.00 -1.55 0.40 115.31 117.23 2ksy h LEU 7 Ca 0.29 0.04 -0.07 0.00 -0.00 0.00 0.00 57.88 58.14 2ksy h LEU 7 Cb 0.33 0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.08 2ksy h LEU 7 CO -0.09 -0.11 -0.21 -0.26 -0.00 0.00 0.00 178.44 177.77 2ksy h PHE 8 N -0.11 0.30 -0.01 1.13 0.04 -1.54 -1.70 116.94 115.06 2ksy h PHE 8 Ca 0.04 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 2ksy h PHE 8 Cb 0.17 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.24 2ksy h PHE 8 CO -0.16 0.48 -0.00 -1.49 -0.60 0.00 0.00 178.31 176.54 2ksy h TRP 9 N 0.26 0.01 -0.33 -0.55 -0.00 -0.82 -0.73 115.95 113.79 2ksy h TRP 9 Ca 0.05 -0.00 0.01 0.00 -0.00 0.00 0.00 58.89 58.95 2ksy h TRP 9 Cb 0.52 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.65 2ksy h TRP 9 CO 0.01 0.36 0.19 -0.07 -0.00 0.00 0.00 178.44 178.93 2ksy h LEU 10 N -0.34 0.30 -0.74 -4.49 3.38 -0.81 -2.12 115.31 110.49 2ksy h LEU 10 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2ksy h LEU 10 Cb 0.36 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2ksy h LEU 10 CO 0.00 0.22 0.45 1.23 0.09 0.00 0.00 178.44 180.44 2ksy h GLY 11 N 0.39 1.09 0.94 0.83 0.00 -1.27 -1.21 103.07 103.84 2ksy h GLY 11 Ca 0.13 -0.33 0.09 0.00 0.00 0.00 0.00 47.33 47.22 2ksy h GLY 11 CO -0.06 0.24 0.47 0.00 0.00 0.00 0.00 176.54 177.19 2ksy h ALA 12 N 1.35 1.87 -0.31 3.60 0.00 -0.49 -0.99 119.26 124.28 2ksy h ALA 12 Ca 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2ksy h ALA 12 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2ksy h ALA 12 CO -0.15 -0.01 0.15 0.82 0.00 0.00 0.00 179.25 180.06 2ksy h ILE 13 N 0.60 1.15 -0.94 0.00 2.04 -0.68 -2.19 117.51 117.48 2ksy h ILE 13 Ca 0.32 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.77 2ksy h ILE 13 Cb 0.47 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 2ksy h ILE 13 CO -0.11 0.16 0.62 1.23 0.00 0.00 0.00 178.15 180.05 2ksy h GLY 14 N 0.36 1.35 1.13 5.37 0.00 -0.95 -2.26 103.07 108.08 2ksy h GLY 14 Ca 0.11 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 2ksy h GLY 14 CO -0.01 0.45 0.31 -0.33 0.00 0.00 0.00 176.54 176.95 2ksy h MET 15 N 1.24 1.11 -0.51 4.80 2.86 -1.15 -2.59 114.93 120.69 2ksy h MET 15 Ca 0.36 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.83 2ksy h MET 15 Cb -0.08 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.36 2ksy h MET 15 CO -0.10 0.89 0.31 1.25 1.06 0.00 0.00 176.91 180.33 2ksy h LEU 16 N 1.09 0.52 -0.17 1.22 7.12 -0.82 0.66 115.31 124.92 2ksy h LEU 16 Ca 0.25 -0.00 0.01 0.00 0.13 0.00 0.00 57.88 58.27 2ksy h LEU 16 Cb 0.19 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.19 2ksy h LEU 16 CO -0.02 0.37 0.08 0.58 -0.13 0.00 0.00 178.44 179.32 2ksy h VAL 17 N 0.63 0.99 -0.12 1.05 2.07 -1.15 -2.49 116.25 117.23 2ksy h VAL 17 Ca 0.20 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 2ksy h VAL 17 Cb -0.01 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2ksy h VAL 17 CO -0.08 0.03 0.04 1.23 0.02 0.00 0.00 177.57 178.82 2ksy h GLY 18 N 0.18 0.20 -0.02 2.17 0.00 -1.19 -2.30 103.07 102.11 2ksy h GLY 18 Ca 0.07 -0.12 0.21 0.00 0.00 0.00 0.00 47.33 47.49 2ksy h GLY 18 CO -0.05 0.11 0.52 -0.84 0.00 0.00 0.00 176.54 176.27 2ksy h THR 19 N 0.03 0.60 -0.21 4.70 2.02 -0.74 0.04 112.91 119.34 2ksy h THR 19 Ca 0.04 -0.20 -0.17 0.00 0.77 0.00 0.00 66.41 66.85 2ksy h THR 19 Cb 0.20 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 2ksy h THR 19 CO -0.00 0.11 -0.53 -0.07 0.37 0.00 0.00 175.52 175.40 2ksy h LEU 20 N 0.59 0.82 -1.75 2.58 3.38 -1.31 -0.58 115.31 119.04 2ksy h LEU 20 Ca 0.57 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2ksy h LEU 20 Cb 1.00 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 2ksy h LEU 20 CO -0.45 1.25 -0.13 0.00 0.09 0.00 0.00 178.44 179.20 2ksy h ALA 21 N 0.60 1.78 0.06 1.53 0.00 -0.48 0.04 119.26 122.80 2ksy h ALA 21 Ca -0.01 -0.12 -0.33 0.00 0.00 0.00 0.00 54.91 54.46 2ksy h ALA 21 Cb 1.14 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2ksy h ALA 21 CO 0.11 0.16 -1.83 0.74 0.00 0.00 0.00 179.25 178.43 2ksy h PHE 22 N 0.00 0.24 -0.01 0.00 0.04 -1.07 -3.25 116.94 112.90 2ksy h PHE 22 Ca -0.00 -0.18 -0.00 0.00 2.80 0.00 0.00 57.97 60.59 2ksy h PHE 22 Cb 0.23 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 2ksy h PHE 22 CO 0.00 1.38 -0.01 0.00 -0.60 0.00 0.00 178.31 179.08 2ksy h ALA 23 N 0.55 0.01 -0.94 2.45 0.00 -0.88 -1.74 119.26 118.71 2ksy h ALA 23 Ca -0.35 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.32 2ksy h ALA 23 Cb 2.02 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.76 2ksy h ALA 23 CO 0.09 -0.22 0.62 2.35 0.00 0.00 0.00 179.25 182.08 2ksy h TRP 24 N -0.50 1.16 0.00 0.00 2.91 -1.18 -1.20 115.95 117.14 2ksy h TRP 24 Ca 0.00 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 59.98 2ksy h TRP 24 Cb 0.53 -0.39 -0.01 0.00 -0.51 0.00 0.00 29.16 28.78 2ksy h TRP 24 CO 0.11 0.71 -0.30 0.00 -1.03 0.00 0.00 178.44 177.92 2ksy h ALA 25 N 1.43 0.96 -0.02 2.65 0.00 -1.58 -3.12 119.26 119.58 2ksy h ALA 25 Ca 0.36 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2ksy h ALA 25 Cb -0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2ksy h ALA 25 CO -0.09 0.38 -0.01 0.78 0.00 0.00 0.00 179.25 180.31 2ksy h GLY 26 N 2.30 0.05 1.72 0.00 0.00 -0.28 -2.02 103.07 104.85 2ksy h GLY 26 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 2ksy h GLY 26 CO 0.04 0.04 0.16 3.21 0.00 0.00 0.00 176.54 179.98 2ksy h ARG 27 N -0.32 0.37 0.00 4.80 3.08 -1.50 -1.23 114.38 119.57 2ksy h ARG 27 Ca 0.01 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 2ksy h ARG 27 Cb 0.39 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2ksy h ARG 27 CO 0.00 0.27 -0.56 0.22 -1.07 0.00 0.00 179.97 178.83 2ksy h ASP 28 N 0.38 0.00 -2.50 7.04 1.82 -1.47 -3.45 116.42 118.23 2ksy h ASP 28 Ca 0.10 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.54 2ksy h ASP 28 Cb -0.00 0.00 0.10 0.00 0.68 0.00 0.00 39.33 40.10 2ksy h ASP 28 CO -0.02 0.56 0.08 0.00 -1.61 0.00 0.00 179.24 178.25 2ksy n ALA 29 N -2.39 -1.59 -1.56 -0.78 0.00 -0.46 -5.08 120.51 108.64 2ksy n ALA 29 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2ksy n ALA 29 Cb 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.92 0.93 1.05 0.00 0.00 -1.26 -5.02 105.19 99.97 2ksy n GLY 30 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2ksy n GLY 30 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ksy n SER 31 N 0.00 0.16 0.00 1.61 7.64 -1.26 -4.63 113.62 117.13 2ksy n SER 31 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 2ksy n SER 31 Cb 0.00 0.00 0.51 0.00 -1.01 0.00 0.00 64.21 63.71 2ksy n SER 31 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2ksy h GLY 32 N 0.00 0.45 0.95 0.23 0.00 -2.02 -1.33 103.07 101.34 2ksy h GLY 32 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 2ksy h GLY 32 CO 0.00 0.11 -1.10 1.18 0.00 0.00 0.00 176.54 176.73 2ksy n GLU 33 N -4.48 0.61 -0.27 4.80 1.02 -1.26 -4.11 120.64 116.95 2ksy n GLU 33 Ca 0.06 0.12 0.33 0.00 -0.02 0.00 0.00 57.16 57.65 2ksy n GLU 33 Cb 0.25 -1.81 0.74 0.00 -0.02 0.00 0.00 31.44 30.59 2ksy n GLU 33 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2ksy h ARG 34 N 0.00 0.00 -0.37 3.49 2.43 -1.50 0.67 114.38 119.11 2ksy h ARG 34 Ca -0.02 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2ksy h ARG 34 Cb 1.08 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 2ksy h ARG 34 CO 0.01 0.00 0.22 0.00 -1.51 0.00 0.00 179.97 178.69 2ksy h ARG 35 N 0.00 0.43 -0.01 0.20 2.47 -1.71 0.52 114.38 116.28 2ksy h ARG 35 Ca 0.52 -0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 59.13 2ksy h ARG 35 Cb 2.15 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 30.36 2ksy h ARG 35 CO -0.01 0.29 -0.38 1.88 0.56 0.00 0.00 179.97 182.32 2ksy h TYR 36 N 0.45 0.03 0.14 3.04 0.05 -1.15 -2.35 116.97 117.18 2ksy h TYR 36 Ca 0.14 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 2ksy h TYR 36 Cb -0.00 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.73 2ksy h TYR 36 CO -0.07 0.40 -0.07 1.88 -1.05 0.00 0.00 178.16 179.25 2ksy h TYR 37 N 0.02 -0.18 -0.75 4.88 0.05 -1.22 -1.19 116.97 118.59 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 0.68 0.06 -0.05 0.00 1.01 0.00 0.00 36.73 38.43 2ksy h TYR 37 CO 0.00 0.27 0.49 -0.24 -1.05 0.00 0.00 178.16 177.63 2ksy h VAL 38 N -0.90 0.97 -0.00 -2.88 3.04 -0.95 0.30 116.25 115.84 2ksy h VAL 38 Ca -0.02 -0.24 -0.00 0.00 -1.01 0.00 0.00 66.70 65.43 2ksy h VAL 38 Cb 0.52 0.20 -0.00 0.00 -2.01 0.00 0.00 31.29 30.00 2ksy h VAL 38 CO 0.03 0.13 -0.00 0.74 -1.01 0.00 0.00 177.57 177.46 2ksy h THR 39 N 0.71 1.36 -0.22 3.17 2.02 -1.47 -1.69 112.91 116.78 2ksy h THR 39 Ca 0.34 -1.05 0.04 0.00 0.77 0.00 0.00 66.41 66.51 2ksy h THR 39 Cb 0.39 2.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.82 2ksy h THR 39 CO -0.12 0.27 -0.06 0.25 0.37 0.00 0.00 175.52 176.24 2ksy h LEU 40 N -0.44 -0.21 -1.58 2.58 5.85 -0.50 -0.45 115.31 120.56 2ksy h LEU 40 Ca 0.00 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2ksy h LEU 40 Cb 0.45 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2ksy h LEU 40 CO 0.00 -0.08 0.31 0.58 -0.34 0.00 0.00 178.44 178.91 2ksy h VAL 41 N -0.00 1.07 -0.86 1.05 2.07 -1.00 -1.34 116.25 117.24 2ksy h VAL 41 Ca 0.11 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2ksy h VAL 41 Cb 0.17 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 2ksy h VAL 41 CO -0.23 0.10 0.56 1.23 0.02 0.00 0.00 177.57 179.26 2ksy h GLY 42 N 0.56 1.22 0.75 2.17 0.00 -0.11 0.19 103.07 107.87 2ksy h GLY 42 Ca 0.18 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 2ksy h GLY 42 CO -0.04 0.35 -0.34 -2.22 0.00 0.00 0.00 176.54 174.29 2ksy h ILE 43 N 1.05 0.08 -0.02 2.60 2.04 -0.76 -1.54 117.51 120.96 2ksy h ILE 43 Ca 0.35 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.93 2ksy h ILE 43 Cb 0.06 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 2ksy h ILE 43 CO -0.11 0.01 0.03 0.77 0.00 0.00 0.00 178.15 178.85 2ksy h SER 44 N -1.20 0.00 0.18 1.72 4.64 -1.34 -1.93 113.55 115.63 2ksy h SER 44 Ca -0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 2ksy h SER 44 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2ksy h SER 44 CO 0.16 0.00 -0.09 1.23 -0.87 0.00 0.00 176.83 177.26 2ksy h GLY 45 N 0.00 -0.26 1.22 -0.77 0.00 -0.48 -2.68 103.07 100.10 2ksy h GLY 45 Ca 0.01 0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.48 2ksy h GLY 45 CO -0.00 -0.09 0.41 0.16 0.00 0.00 0.00 176.54 177.01 2ksy h ILE 46 N -1.01 1.04 -0.02 2.60 3.07 -1.14 -2.31 117.51 119.73 2ksy h ILE 46 Ca -0.03 -0.23 -0.00 0.00 1.55 0.00 0.00 64.86 66.16 2ksy h ILE 46 Cb 0.37 0.32 -0.00 0.00 -0.27 0.00 0.00 36.82 37.24 2ksy h ILE 46 CO 0.04 0.12 0.01 0.00 -1.05 0.00 0.00 178.15 177.27 2ksy h ALA 47 N 1.66 0.03 -0.85 0.16 0.00 -1.45 -2.23 119.26 116.57 2ksy h ALA 47 Ca 0.26 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.20 2ksy h ALA 47 Cb 0.18 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 2ksy h ALA 47 CO -0.07 -0.37 0.55 0.00 0.00 0.00 0.00 179.25 179.35 2ksy h ALA 48 N 0.81 1.87 -0.39 0.00 0.00 -1.06 -0.34 119.26 120.14 2ksy h ALA 48 Ca 0.01 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2ksy h ALA 48 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2ksy h ALA 48 CO -0.00 -0.09 -0.06 -0.24 0.00 0.00 0.00 179.25 178.86 2ksy h VAL 49 N 0.65 1.27 -0.19 0.00 3.04 -1.23 -2.12 116.25 117.68 2ksy h VAL 49 Ca 0.42 -1.13 -0.10 0.00 -1.01 0.00 0.00 66.70 64.88 2ksy h VAL 49 Cb 0.69 1.20 -0.01 0.00 -2.01 0.00 0.00 31.29 31.15 2ksy h VAL 49 CO -0.18 0.38 -0.31 0.00 -1.01 0.00 0.00 177.57 176.45 2ksy h ALA 50 N 0.85 1.12 -0.23 3.17 0.00 -0.57 -1.97 119.26 121.63 2ksy h ALA 50 Ca 0.10 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 2ksy h ALA 50 Cb 0.57 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2ksy h ALA 50 CO 0.03 0.56 -0.49 1.88 0.00 0.00 0.00 179.25 181.23 2ksy h TYR 51 N 0.33 0.76 -0.21 0.00 0.05 -1.02 -1.89 116.97 114.99 2ksy h TYR 51 Ca 0.04 -0.25 -0.15 0.00 0.05 0.00 0.00 58.73 58.42 2ksy h TYR 51 Cb 0.72 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.31 2ksy h TYR 51 CO 0.02 0.99 -0.44 0.00 -1.05 0.00 0.00 178.16 177.68 2ksy h ALA 52 N 0.97 0.34 0.05 3.88 0.00 -1.21 -2.07 119.26 121.21 2ksy h ALA 52 Ca 0.02 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2ksy h ALA 52 Cb 1.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2ksy h ALA 52 CO 0.10 0.47 -0.02 -0.39 0.00 0.00 0.00 179.25 179.40 2ksy h VAL 53 N 0.36 1.19 -0.19 0.00 -1.51 -1.36 -2.12 116.25 112.63 2ksy h VAL 53 Ca 0.00 -0.80 -0.01 0.00 -1.23 0.00 0.00 66.70 64.67 2ksy h VAL 53 Cb 1.04 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 31.91 2ksy h VAL 53 CO 0.10 0.20 0.07 0.24 -1.23 0.00 0.00 177.57 176.94 2ksy h MET 54 N -0.41 0.26 -0.51 5.19 2.07 -1.43 -1.68 114.93 118.41 2ksy h MET 54 Ca -0.01 -0.03 -0.10 0.00 -2.07 0.00 0.00 59.70 57.50 2ksy h MET 54 Cb 0.38 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 30.03 2ksy h MET 54 CO 0.01 0.23 -0.07 0.00 1.07 0.00 0.00 176.91 178.15 2ksy h ALA 55 N 1.81 0.92 0.00 6.32 0.00 -1.22 -2.37 119.26 124.72 2ksy h ALA 55 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2ksy h ALA 55 Cb 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2ksy h ALA 55 CO -0.01 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.16 2ksy n LEU 56 N -4.17 0.42 0.00 0.00 4.77 -0.65 -4.72 117.00 112.65 2ksy n LEU 56 Ca 0.02 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 2ksy n LEU 56 Cb 0.36 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2ksy n LEU 56 CO 0.44 -0.40 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 2ksy n GLY 57 N 0.18 3.37 3.76 -0.72 0.00 -0.89 -5.05 105.19 105.84 2ksy n GLY 57 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2ksy n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ksy s VAL 58 N -2.94 2.72 0.00 1.61 -7.23 -1.16 -2.85 120.40 110.55 2ksy s VAL 58 Ca 0.00 0.69 0.00 0.00 -1.81 0.00 0.00 61.98 60.86 2ksy s VAL 58 Cb 0.00 -3.44 0.00 0.00 0.56 0.00 0.00 36.38 33.50 2ksy s VAL 58 CO 0.00 0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.55 2ksy n GLY 59 N 1.19 0.63 3.64 2.32 0.00 -1.26 -3.98 105.19 107.73 2ksy n GLY 59 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.14 3.04 -0.15 1.61 0.52 -1.13 -2.40 118.94 118.29 2ksy s TRP 60 Ca 0.00 1.15 -0.03 0.00 0.02 0.00 0.00 56.10 57.24 2ksy s TRP 60 Cb 0.00 -3.63 -0.02 0.00 -1.15 0.00 0.00 33.47 28.67 2ksy s TRP 60 CO 0.00 -1.06 -0.05 0.54 0.02 0.00 0.00 176.95 176.40 2ksy s VAL 61 N 3.69 3.73 0.28 4.03 0.11 -0.35 -5.01 120.40 126.89 2ksy s VAL 61 Ca 0.49 -0.41 -0.29 0.00 -2.93 0.00 0.00 61.98 58.84 2ksy s VAL 61 Cb -0.15 -2.63 -0.09 0.00 -1.53 0.00 0.00 36.38 31.98 2ksy s VAL 61 CO 0.15 0.50 1.05 -2.16 -3.33 0.00 0.00 175.10 171.31 2ksy s PRO 62 N 0.40 4.65 -0.32 1.54 0.04 -1.26 -1.19 135.00 138.87 2ksy s PRO 62 Ca -0.05 1.69 -0.02 0.00 0.04 0.00 0.00 61.00 62.66 2ksy s PRO 62 Cb -0.14 -3.15 0.12 0.00 0.04 0.00 0.00 34.50 31.36 2ksy s PRO 62 CO 0.03 0.26 0.16 0.08 0.04 0.00 0.00 177.00 177.57 2ksy s VAL 63 N -1.22 0.13 0.00 -0.36 1.01 0.97 -4.88 120.40 116.05 2ksy s VAL 63 Ca 0.45 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2ksy s VAL 63 Cb -0.29 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 34.97 2ksy s VAL 63 CO 0.37 -0.82 0.00 0.00 0.00 0.00 0.00 175.10 174.65 2ksy n ALA 64 N 4.73 0.00 0.00 5.51 0.00 -1.26 -0.60 120.51 128.90 2ksy n ALA 64 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2ksy n ALA 64 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2ksy n ALA 64 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ksy n GLU 65 N 0.00 2.47 -3.99 0.00 2.13 -1.26 -5.05 120.64 114.93 2ksy n GLU 65 Ca 0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 2ksy n GLU 65 Cb 0.00 -0.97 -0.04 0.00 0.27 0.00 0.00 31.44 30.70 2ksy n GLU 65 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2ksy s ARG 66 N -1.93 3.24 -0.20 5.31 3.52 0.24 -5.10 118.95 124.02 2ksy s ARG 66 Ca 0.00 -0.69 -0.03 0.00 -0.13 0.00 0.00 55.73 54.89 2ksy s ARG 66 Cb 0.00 -2.85 -0.00 0.00 -1.56 0.00 0.00 34.95 30.53 2ksy s ARG 66 CO 0.00 0.51 -0.08 0.99 -0.81 0.00 0.00 175.30 175.92 2ksy s THR 67 N -1.72 3.14 0.13 4.11 2.01 -1.26 -0.02 115.64 122.02 2ksy s THR 67 Ca 0.33 -0.58 -0.10 0.00 0.31 0.00 0.00 61.69 61.66 2ksy s THR 67 Cb -0.11 -2.40 -0.06 0.00 0.01 0.00 0.00 72.50 69.94 2ksy s THR 67 CO 0.27 0.45 0.45 -0.69 -0.69 0.00 0.00 174.62 174.40 2ksy s VAL 68 N 1.31 5.04 -0.33 3.82 1.01 -0.33 -4.92 120.40 125.99 2ksy s VAL 68 Ca 0.04 0.43 -0.08 0.00 0.00 0.00 0.00 61.98 62.37 2ksy s VAL 68 Cb -0.14 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.61 2ksy s VAL 68 CO -0.04 0.17 0.14 -0.36 0.00 0.00 0.00 175.10 175.01 2ksy s PHE 69 N -1.53 3.21 -0.01 5.22 0.08 -1.26 -1.21 117.98 122.47 2ksy s PHE 69 Ca 0.38 -1.03 -0.25 0.00 0.12 0.00 0.00 56.93 56.15 2ksy s PHE 69 Cb -0.13 -2.33 -0.20 0.00 -0.57 0.00 0.00 43.02 39.79 2ksy s PHE 69 CO 0.20 -0.62 1.31 0.28 -0.10 0.00 0.00 175.22 176.29 2ksy h VAL 70 N 5.92 1.31 0.00 -0.44 2.07 -1.86 -3.13 116.25 120.12 2ksy h VAL 70 Ca -0.28 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.25 2ksy h VAL 70 Cb 1.11 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 2ksy h VAL 70 CO 0.62 0.26 0.00 -0.65 0.02 0.00 0.00 177.57 177.82 2ksy h PRO 71 N -0.45 0.00 0.26 1.57 0.11 -1.91 -2.25 132.00 129.33 2ksy h PRO 71 Ca -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2ksy h PRO 71 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 2ksy h PRO 71 CO 0.00 0.00 -0.13 -0.09 -0.21 0.00 0.00 178.00 177.58 2ksy h ARG 72 N 0.00 -0.34 -0.08 1.05 2.43 -1.90 -1.16 114.38 114.37 2ksy h ARG 72 Ca 0.00 0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.04 2ksy h ARG 72 Cb 0.15 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2ksy h ARG 72 CO 0.00 0.02 -0.60 1.88 -1.51 0.00 0.00 179.97 179.76 2ksy h TYR 73 N -0.88 0.36 -0.48 2.20 0.05 -1.59 -2.71 116.97 113.91 2ksy h TYR 73 Ca -0.04 -0.14 -0.09 0.00 0.05 0.00 0.00 58.73 58.52 2ksy h TYR 73 Cb 0.51 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 2ksy h TYR 73 CO 0.05 0.81 -0.05 0.97 -1.05 0.00 0.00 178.16 178.89 2ksy h ILE 74 N 0.21 1.25 -0.66 -2.88 -0.00 -1.49 -1.89 117.51 112.06 2ksy h ILE 74 Ca -0.01 -1.11 -0.02 0.00 -0.00 0.00 0.00 64.86 63.73 2ksy h ILE 74 Cb 1.11 0.93 -0.03 0.00 -0.00 0.00 0.00 36.82 38.83 2ksy h ILE 74 CO 0.10 0.39 0.34 -0.78 -0.00 0.00 0.00 178.15 178.19 2ksy h ASP 75 N 0.77 0.83 0.34 2.19 3.58 -0.99 -0.57 116.42 122.58 2ksy h ASP 75 Ca 0.14 -0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.44 2ksy h ASP 75 Cb 0.53 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 2ksy h ASP 75 CO 0.03 0.69 -0.33 -0.50 -2.88 0.00 0.00 179.24 176.25 2ksy h TRP 76 N 0.93 0.00 0.00 0.28 6.55 -1.09 -0.21 115.95 122.41 2ksy h TRP 76 Ca 0.23 0.00 -0.12 0.00 0.95 0.00 0.00 58.89 59.95 2ksy h TRP 76 Cb 0.06 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.35 2ksy h TRP 76 CO 0.01 0.33 -0.56 0.82 -1.05 0.00 0.00 178.44 177.98 2ksy h ILE 77 N 0.00 1.37 0.00 1.49 2.04 -0.37 0.13 117.51 122.17 2ksy h ILE 77 Ca -0.00 -1.96 0.00 0.00 1.00 0.00 0.00 64.86 63.90 2ksy h ILE 77 Cb 0.59 2.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 2ksy h ILE 77 CO 0.04 0.55 -0.90 0.18 0.00 0.00 0.00 178.15 178.03 2ksy n LEU 78 N -3.81 0.73 -0.11 1.44 4.77 -0.78 -4.29 117.00 114.95 2ksy n LEU 78 Ca -0.01 0.22 -0.21 0.00 -0.03 0.00 0.00 56.01 55.98 2ksy n LEU 78 Cb 0.58 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 2ksy n LEU 78 CO 0.41 -0.09 -1.12 0.35 -1.33 0.00 0.00 177.39 175.60 2ksy n THR 79 N -2.33 1.35 -0.03 -5.08 -2.24 -0.15 -4.33 114.28 101.47 2ksy n THR 79 Ca 0.01 -0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.49 2ksy n THR 79 Cb 0.49 -1.93 -0.04 0.00 -2.10 0.00 0.00 70.33 66.74 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 -0.85 0.22 0.00 4.28 2.02 -0.97 0.14 112.91 117.74 2ksy h THR 80 Ca -0.45 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 2ksy h THR 80 Cb 1.35 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2ksy h THR 80 CO -0.27 0.00 -0.01 -0.65 0.37 0.00 0.00 175.52 174.96 2ksy h PRO 81 N -0.40 0.00 0.02 6.66 0.11 -1.75 -0.97 132.00 135.68 2ksy h PRO 81 Ca 0.10 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.00 2ksy h PRO 81 Cb 0.57 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 2ksy h PRO 81 CO -0.41 0.01 -0.95 1.25 -0.21 0.00 0.00 178.00 177.68 2ksy h LEU 82 N 0.00 0.29 0.18 2.35 5.85 -0.98 -2.01 115.31 120.99 2ksy h LEU 82 Ca -0.00 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 2ksy h LEU 82 Cb 0.06 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2ksy h LEU 82 CO 0.00 1.08 -0.09 0.40 -0.34 0.00 0.00 178.44 179.50 2ksy h ILE 83 N 0.11 0.92 -0.28 4.05 1.08 0.10 -1.97 117.51 121.52 2ksy h ILE 83 Ca -0.06 -0.93 0.01 0.00 -0.39 0.00 0.00 64.86 63.49 2ksy h ILE 83 Cb 1.61 1.44 -0.01 0.00 -3.07 0.00 0.00 36.82 36.78 2ksy h ILE 83 CO 0.15 0.20 0.19 -0.37 -0.69 0.00 0.00 178.15 177.62 2ksy h VAL 84 N -0.73 1.04 -0.59 1.67 -1.51 -1.58 -0.49 116.25 114.06 2ksy h VAL 84 Ca -0.02 -0.11 -0.00 0.00 -1.23 0.00 0.00 66.70 65.33 2ksy h VAL 84 Cb 0.51 0.68 -0.03 0.00 -2.13 0.00 0.00 31.29 30.32 2ksy h VAL 84 CO 0.04 0.06 0.37 0.22 -1.23 0.00 0.00 177.57 177.03 2ksy h TYR 85 N 0.33 0.77 -0.31 5.19 3.20 -1.26 -1.87 116.97 123.02 2ksy h TYR 85 Ca 0.11 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.04 2ksy h TYR 85 Cb 0.03 -0.26 -0.06 0.00 1.54 0.00 0.00 36.73 37.98 2ksy h TYR 85 CO -0.00 0.52 -0.09 0.35 -1.64 0.00 0.00 178.16 177.30 2ksy h PHE 86 N 0.80 -0.20 -0.02 -3.82 3.04 -0.29 0.17 116.94 116.61 2ksy h PHE 86 Ca 0.21 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.20 2ksy h PHE 86 Cb -0.04 0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.61 2ksy h PHE 86 CO -0.02 -0.15 0.02 -0.07 -2.02 0.00 0.00 178.31 176.06 2ksy h LEU 87 N -0.02 0.00 -0.51 0.59 4.07 -1.18 -1.89 115.31 116.37 2ksy h LEU 87 Ca 0.15 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.05 2ksy h LEU 87 Cb 0.25 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 2ksy h LEU 87 CO -0.33 0.00 0.08 1.23 -1.08 0.00 0.00 178.44 178.34 2ksy h GLY 88 N 0.00 0.91 1.33 0.83 0.00 0.14 -2.79 103.07 103.48 2ksy h GLY 88 Ca 0.01 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 46.66 2ksy h GLY 88 CO -0.00 0.57 0.07 1.41 0.00 0.00 0.00 176.54 178.59 2ksy h LEU 89 N 0.73 0.79 0.47 3.11 4.07 -0.86 0.14 115.31 123.75 2ksy h LEU 89 Ca 0.15 -0.17 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 2ksy h LEU 89 Cb 0.41 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 2ksy h LEU 89 CO 0.01 0.81 -0.47 -0.07 -1.08 0.00 0.00 178.44 177.64 2ksy h LEU 90 N 0.79 -1.29 0.20 1.67 3.38 -1.23 -3.27 115.31 115.57 2ksy h LEU 90 Ca 0.16 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2ksy h LEU 90 Cb 0.38 0.43 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2ksy h LEU 90 CO 0.01 -0.63 -0.10 0.00 0.09 0.00 0.00 178.44 177.81 2ksy h ALA 91 N -0.73 -0.27 0.00 1.53 0.00 -1.47 -3.45 119.26 114.86 2ksy h ALA 91 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2ksy h ALA 91 Cb 0.83 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2ksy h ALA 91 CO -0.06 -0.36 0.00 0.41 0.00 0.00 0.00 179.25 179.24 2ksy n GLY 92 N 0.42 0.62 3.84 0.00 0.00 0.47 -4.32 105.19 106.21 2ksy n GLY 92 Ca -0.08 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 2ksy n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ksy s LEU 93 N 0.00 2.30 0.48 0.99 1.02 -1.15 -5.06 118.68 117.25 2ksy s LEU 93 Ca 0.00 0.93 -0.02 0.00 0.02 0.00 0.00 54.13 55.06 2ksy s LEU 93 Cb 0.00 -3.37 -0.01 0.00 0.02 0.00 0.00 46.19 42.84 2ksy s LEU 93 CO 0.00 -2.19 0.73 -1.81 0.02 0.00 0.00 176.35 173.09 2ksy s ASP 94 N -4.25 5.87 0.56 2.29 1.11 -1.26 -4.90 116.67 116.09 2ksy s ASP 94 Ca 0.63 0.47 0.28 0.00 0.18 0.00 0.00 52.55 54.10 2ksy s ASP 94 Cb -0.13 -1.69 1.49 0.00 1.07 0.00 0.00 42.92 43.65 2ksy s ASP 94 CO 0.52 -0.73 1.97 0.77 1.18 0.00 0.00 175.17 178.87 2ksy h SER 95 N 0.28 0.00 0.12 0.27 4.64 -1.99 -1.05 113.55 115.82 2ksy h SER 95 Ca -0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 2ksy h SER 95 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2ksy h SER 95 CO 0.59 0.00 -0.06 0.03 -0.87 0.00 0.00 176.83 176.52 2ksy h ARG 96 N 0.00 -0.16 -0.96 4.77 3.08 -2.00 -2.84 114.38 116.27 2ksy h ARG 96 Ca 0.22 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.34 2ksy h ARG 96 Cb 1.02 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.04 2ksy h ARG 96 CO -0.00 0.32 0.63 0.93 -1.07 0.00 0.00 179.97 180.78 2ksy h GLU 97 N -0.82 1.09 0.15 0.04 5.08 -1.69 -2.21 114.58 116.23 2ksy h GLU 97 Ca -0.02 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2ksy h GLU 97 Cb 0.55 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2ksy h GLU 97 CO 0.03 0.72 -0.07 0.74 -1.00 0.00 0.00 179.01 179.43 2ksy h PHE 98 N 1.12 -0.19 -0.06 4.33 0.04 -1.30 -1.62 116.94 119.27 2ksy h PHE 98 Ca 0.41 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 61.19 2ksy h PHE 98 Cb 0.17 0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.38 2ksy h PHE 98 CO -0.00 -0.11 0.05 0.78 -0.60 0.00 0.00 178.31 178.43 2ksy h GLY 99 N -0.22 0.00 0.58 -1.45 0.00 -1.20 -0.76 103.07 100.02 2ksy h GLY 99 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 2ksy h GLY 99 CO 0.03 0.00 -0.23 -2.22 0.00 0.00 0.00 176.54 174.13 2ksy h ILE 100 N 0.00 1.46 -0.37 2.60 2.04 -0.86 -2.12 117.51 120.26 2ksy h ILE 100 Ca 0.03 -1.69 -0.08 0.00 1.00 0.00 0.00 64.86 64.12 2ksy h ILE 100 Cb 0.12 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 2ksy h ILE 100 CO -0.00 0.47 -0.09 0.58 0.00 0.00 0.00 178.15 179.12 2ksy h VAL 101 N -0.31 1.28 -0.08 1.67 2.07 -0.86 -2.29 116.25 117.73 2ksy h VAL 101 Ca -0.02 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 2ksy h VAL 101 Cb 0.89 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2ksy h VAL 101 CO 0.05 0.38 0.02 0.40 0.02 0.00 0.00 177.57 178.44 2ksy h ILE 102 N 0.51 1.20 -0.10 4.57 1.08 -1.25 -2.71 117.51 120.81 2ksy h ILE 102 Ca 0.09 -0.62 -0.00 0.00 -0.39 0.00 0.00 64.86 63.94 2ksy h ILE 102 Cb 0.60 1.47 -0.01 0.00 -3.07 0.00 0.00 36.82 35.81 2ksy h ILE 102 CO 0.04 0.17 0.05 0.00 -0.69 0.00 0.00 178.15 177.72 2ksy h THR 103 N -0.10 1.04 0.41 -0.27 1.03 -1.41 -1.98 112.91 111.63 2ksy h THR 103 Ca 0.02 -0.11 -0.02 0.00 -0.01 0.00 0.00 66.41 66.29 2ksy h THR 103 Cb 0.26 0.91 0.00 0.00 -1.07 0.00 0.00 68.15 68.25 2ksy h THR 103 CO 0.00 0.04 -0.20 0.25 -0.01 0.00 0.00 175.52 175.61 2ksy h LEU 104 N 0.14 -0.47 -2.22 0.00 5.85 -1.12 -2.49 115.31 115.00 2ksy h LEU 104 Ca 0.04 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2ksy h LEU 104 Cb 0.02 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 2ksy h LEU 104 CO -0.01 -0.26 -0.05 0.78 -0.34 0.00 0.00 178.44 178.57 2ksy h ASN 105 N -0.65 0.00 0.39 1.25 -0.26 -1.17 -2.32 115.58 112.82 2ksy h ASN 105 Ca -0.06 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.66 2ksy h ASN 105 Cb 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 2ksy h ASN 105 CO 0.09 0.05 -0.19 0.74 -1.06 0.00 0.00 177.43 177.07 2ksy h THR 106 N 0.00 0.60 -0.48 2.81 2.02 -0.94 0.15 112.91 117.07 2ksy h THR 106 Ca -0.00 -0.36 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 2ksy h THR 106 Cb 0.13 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2ksy h THR 106 CO 0.01 0.07 0.07 1.62 0.37 0.00 0.00 175.52 177.65 2ksy h VAL 107 N -0.74 1.22 0.21 3.16 3.04 -1.24 -1.40 116.25 120.52 2ksy h VAL 107 Ca -0.05 -0.85 -0.01 0.00 -1.01 0.00 0.00 66.70 64.77 2ksy h VAL 107 Cb 0.51 0.79 0.00 0.00 -2.01 0.00 0.00 31.29 30.58 2ksy h VAL 107 CO 0.09 0.31 -0.10 0.58 -1.01 0.00 0.00 177.57 177.43 2ksy h VAL 108 N 0.71 0.86 0.00 1.51 2.07 -1.37 -1.00 116.25 119.03 2ksy h VAL 108 Ca 0.15 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2ksy h VAL 108 Cb 0.34 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2ksy h VAL 108 CO 0.01 0.09 -0.06 -0.03 0.02 0.00 0.00 177.57 177.59 2ksy h MET 109 N -0.49 0.00 -0.01 1.57 -1.53 -0.85 -1.19 114.93 112.44 2ksy h MET 109 Ca -0.03 0.00 -0.20 0.00 -3.44 0.00 0.00 59.70 56.03 2ksy h MET 109 Cb 0.37 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.42 2ksy h MET 109 CO 0.05 0.06 -0.88 1.25 0.14 0.00 0.00 176.91 177.54 2ksy h LEU 110 N 0.00 0.36 0.40 3.39 5.85 -0.94 -2.37 115.31 122.00 2ksy h LEU 110 Ca -0.00 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 2ksy h LEU 110 Cb 0.16 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2ksy h LEU 110 CO 0.01 1.07 -0.19 0.00 -0.34 0.00 0.00 178.44 178.99 2ksy h ALA 111 N 0.91 -0.53 -0.66 1.25 0.00 0.07 -2.71 119.26 117.58 2ksy h ALA 111 Ca -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2ksy h ALA 111 Cb 1.50 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 2ksy h ALA 111 CO 0.14 -0.75 0.33 0.78 0.00 0.00 0.00 179.25 179.75 2ksy h GLY 112 N -0.64 0.99 -0.00 0.00 0.00 -1.57 0.10 103.07 101.95 2ksy h GLY 112 Ca -0.05 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2ksy h GLY 112 CO 0.09 0.44 -0.01 -2.75 0.00 0.00 0.00 176.54 174.31 2ksy h PHE 113 N 0.92 -0.02 0.00 5.60 3.04 -1.23 0.46 116.94 125.71 2ksy h PHE 113 Ca 0.23 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.18 2ksy h PHE 113 Cb 0.07 0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.59 2ksy h PHE 113 CO 0.01 -0.01 0.00 0.00 -2.02 0.00 0.00 178.31 176.29 2ksy h ALA 114 N -1.40 1.00 -0.50 2.41 0.00 -1.46 -2.93 119.26 116.38 2ksy h ALA 114 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2ksy h ALA 114 Cb 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 2ksy h ALA 114 CO -0.01 0.00 0.05 0.78 0.00 0.00 0.00 179.25 180.07 2ksy h GLY 115 N 1.08 0.57 2.00 0.00 0.00 0.15 -0.30 103.07 106.56 2ksy h GLY 115 Ca 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 2ksy h GLY 115 CO 0.00 -0.11 -0.28 0.00 0.00 0.00 0.00 176.54 176.15 2ksy h ALA 116 N 1.42 0.84 -0.44 3.60 0.00 -1.26 -3.20 119.26 120.22 2ksy h ALA 116 Ca 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ksy h ALA 116 Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2ksy h ALA 116 CO -0.38 0.35 0.00 -0.12 0.00 0.00 0.00 179.25 179.11 2ksy n MET 117 N -3.21 3.79 -2.14 0.00 0.00 -0.33 -4.86 117.12 110.37 2ksy n MET 117 Ca 0.02 -2.32 -0.35 0.00 0.00 0.00 0.00 57.70 55.05 2ksy n MET 117 Cb 0.61 -2.03 0.01 0.00 0.00 0.00 0.00 33.22 31.81 2ksy n MET 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2ksy s VAL 118 N -2.23 3.11 -1.54 1.12 -7.23 -0.27 -4.93 120.40 108.43 2ksy s VAL 118 Ca 0.40 0.66 0.30 0.00 -1.81 0.00 0.00 61.98 61.53 2ksy s VAL 118 Cb 0.30 -3.24 0.54 0.00 0.56 0.00 0.00 36.38 34.54 2ksy s VAL 118 CO 0.13 -0.18 2.02 -0.81 -0.31 0.00 0.00 175.10 175.95 2ksy n PRO 119 N -1.53 0.55 0.00 4.82 -0.04 -1.26 -4.92 135.00 132.62 2ksy n PRO 119 Ca 0.12 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2ksy n PRO 119 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 1.26 3.27 1.25 0.55 0.00 -1.26 -5.01 105.19 105.26 2ksy n GLY 120 Ca 0.15 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.23 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 1.01 0.28 -0.61 -5.35 -1.26 -4.33 119.36 109.09 2ksy n ILE 121 Ca 0.00 -0.91 0.18 0.00 -0.27 0.00 0.00 62.75 61.76 2ksy n ILE 121 Cb 0.00 0.37 0.99 0.00 -1.74 0.00 0.00 39.64 39.26 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 3.79 0.00 -0.82 6.28 4.39 -1.94 -2.54 114.58 123.74 2ksy h GLU 122 Ca 0.00 0.00 0.24 0.00 0.34 0.00 0.00 59.36 59.94 2ksy h GLU 122 Cb 0.96 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 2ksy h GLU 122 CO 0.04 0.00 0.64 0.07 -1.16 0.00 0.00 179.01 178.60 2ksy h ARG 123 N 0.00 0.00 -0.12 2.33 0.11 -1.75 0.33 114.38 115.28 2ksy h ARG 123 Ca 0.00 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.96 2ksy h ARG 123 Cb 0.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.09 2ksy h ARG 123 CO 0.00 0.00 -0.44 1.88 0.10 0.00 0.00 179.97 181.51 2ksy h TYR 124 N 0.00 0.33 -0.00 4.08 0.05 -1.79 -2.57 116.97 117.07 2ksy h TYR 124 Ca 0.39 -0.10 -0.00 0.00 0.05 0.00 0.00 58.73 59.07 2ksy h TYR 124 Cb 1.68 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 39.34 2ksy h TYR 124 CO 0.00 0.67 -0.00 0.00 -1.05 0.00 0.00 178.16 177.78 2ksy h ALA 125 N 1.31 0.00 0.04 3.88 0.00 -0.57 -1.07 119.26 122.85 2ksy h ALA 125 Ca 0.02 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.62 2ksy h ALA 125 Cb 0.87 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 2ksy h ALA 125 CO 0.07 -0.16 -0.32 -0.07 0.00 0.00 0.00 179.25 178.77 2ksy h LEU 126 N -0.67 -0.96 -1.37 0.00 4.07 -1.47 -1.00 115.31 113.90 2ksy h LEU 126 Ca -0.00 0.12 -0.03 0.00 0.08 0.00 0.00 57.88 58.05 2ksy h LEU 126 Cb 0.68 0.38 -0.02 0.00 1.08 0.00 0.00 40.66 42.78 2ksy h LEU 126 CO 0.00 -0.40 0.06 0.15 -1.08 0.00 0.00 178.44 177.17 2ksy h PHE 127 N -0.50 0.48 -0.87 1.13 3.57 -1.57 -2.20 116.94 116.98 2ksy h PHE 127 Ca 0.05 -0.03 0.21 0.00 3.53 0.00 0.00 57.97 61.73 2ksy h PHE 127 Cb 0.57 -0.15 -0.12 0.00 2.79 0.00 0.00 35.95 39.04 2ksy h PHE 127 CO -0.33 0.44 0.35 0.78 -2.23 0.00 0.00 178.31 177.32 2ksy h GLY 128 N 0.73 1.45 1.30 2.40 0.00 0.17 0.66 103.07 109.78 2ksy h GLY 128 Ca 0.11 -0.14 -0.18 0.00 0.00 0.00 0.00 47.33 47.12 2ksy h GLY 128 CO -0.00 -0.26 -0.55 1.98 0.00 0.00 0.00 176.54 177.71 2ksy h MET 129 N 0.37 0.73 0.00 4.80 1.85 -1.03 -2.85 114.93 118.79 2ksy h MET 129 Ca 0.54 -0.46 -0.04 0.00 -0.61 0.00 0.00 59.70 59.12 2ksy h MET 129 Cb 1.01 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 33.09 2ksy h MET 129 CO -0.54 1.09 -0.21 0.78 -0.40 0.00 0.00 176.91 177.63 2ksy h GLY 130 N 0.86 0.00 0.26 1.39 0.00 0.23 -0.92 103.07 104.90 2ksy h GLY 130 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 2ksy h GLY 130 CO 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.61 2ksy h ALA 131 N 1.79 -0.13 -0.99 3.60 0.00 0.17 0.20 119.26 123.89 2ksy h ALA 131 Ca -0.00 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.71 2ksy h ALA 131 Cb 0.45 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 2ksy h ALA 131 CO 0.03 -0.20 0.64 0.28 0.00 0.00 0.00 179.25 179.99 2ksy h VAL 132 N -0.87 1.08 -0.12 0.00 2.07 -1.46 -0.76 116.25 116.18 2ksy h VAL 132 Ca -0.01 -0.39 -0.14 0.00 0.82 0.00 0.00 66.70 66.97 2ksy h VAL 132 Cb 0.57 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2ksy h VAL 132 CO 0.02 0.21 -0.54 0.00 0.02 0.00 0.00 177.57 177.28 2ksy h ALA 133 N 1.47 0.85 0.46 1.67 0.00 -1.21 -2.81 119.26 119.69 2ksy h ALA 133 Ca 0.43 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2ksy h ALA 133 Cb 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2ksy h ALA 133 CO -0.17 0.68 -0.48 0.35 0.00 0.00 0.00 179.25 179.63 2ksy h PHE 134 N 0.28 -1.33 -0.81 0.00 3.57 0.91 -1.41 116.94 118.15 2ksy h PHE 134 Ca 0.01 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.62 2ksy h PHE 134 Cb 1.03 0.52 -0.06 0.00 2.79 0.00 0.00 35.95 40.24 2ksy h PHE 134 CO 0.03 -0.64 0.53 -0.84 -2.23 0.00 0.00 178.31 175.16 2ksy h ILE 135 N -0.95 0.92 -0.86 1.41 3.07 -1.51 -0.47 117.51 119.12 2ksy h ILE 135 Ca -0.05 -0.24 0.14 0.00 1.55 0.00 0.00 64.86 66.25 2ksy h ILE 135 Cb 0.84 0.15 -0.09 0.00 -0.27 0.00 0.00 36.82 37.44 2ksy h ILE 135 CO -0.08 0.13 0.46 1.23 -1.05 0.00 0.00 178.15 178.84 2ksy h GLY 136 N 0.71 1.40 0.80 0.16 0.00 -1.01 0.38 103.07 105.50 2ksy h GLY 136 Ca 0.38 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 2ksy h GLY 136 CO -0.15 -0.00 0.01 -2.00 0.00 0.00 0.00 176.54 174.40 2ksy h LEU 137 N 0.68 0.08 -1.69 3.11 5.85 -0.31 -2.50 115.31 120.53 2ksy h LEU 137 Ca 0.46 -0.23 0.14 0.00 0.84 0.00 0.00 57.88 59.09 2ksy h LEU 137 Cb 0.61 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 2ksy h LEU 137 CO -0.34 0.29 0.46 0.58 -0.34 0.00 0.00 178.44 179.08 2ksy h VAL 138 N -0.13 0.80 -0.55 1.05 2.07 -1.00 0.11 116.25 118.61 2ksy h VAL 138 Ca 0.02 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2ksy h VAL 138 Cb 0.24 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2ksy h VAL 138 CO 0.00 0.06 0.23 0.22 0.02 0.00 0.00 177.57 178.10 2ksy h TYR 139 N 0.32 0.82 -0.43 1.57 3.20 -0.53 -2.50 116.97 119.43 2ksy h TYR 139 Ca 0.32 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 62.11 2ksy h TYR 139 Cb 0.83 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 2ksy h TYR 139 CO -0.00 0.66 0.15 1.88 -1.64 0.00 0.00 178.16 179.21 2ksy h TYR 140 N 0.74 0.67 -0.67 -3.82 0.05 -0.51 0.69 116.97 114.13 2ksy h TYR 140 Ca 0.18 -0.06 0.11 0.00 0.05 0.00 0.00 58.73 59.01 2ksy h TYR 140 Cb 0.18 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.68 2ksy h TYR 140 CO 0.00 0.60 0.44 -0.07 -1.05 0.00 0.00 178.16 178.09 2ksy h LEU 141 N 0.54 0.43 0.00 3.88 4.07 -1.13 -0.76 115.31 122.34 2ksy h LEU 141 Ca 0.14 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.11 2ksy h LEU 141 Cb 0.24 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.90 2ksy h LEU 141 CO -0.01 0.25 -1.26 0.52 -1.08 0.00 0.00 178.44 176.86 2ksy n VAL 142 N -4.48 0.25 0.00 1.22 0.31 -0.96 -4.05 118.33 110.62 2ksy n VAL 142 Ca 0.11 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 2ksy n VAL 142 Cb 0.39 0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.34 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 1.29 -1.62 0.38 2.92 0.00 0.24 -4.42 105.19 103.98 2ksy n GLY 143 Ca -0.00 -1.06 0.18 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.83 1.61 0.11 -1.86 -1.53 132.00 129.50 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 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 2ksy h PRO 144 CO 0.00 0.00 0.54 0.52 -0.21 0.00 0.00 178.00 178.85 2ksy h MET 145 N 0.00 0.53 0.04 1.05 2.86 -1.81 -0.70 114.93 116.90 2ksy h MET 145 Ca 0.14 -0.03 -0.23 0.00 -2.06 0.00 0.00 59.70 57.52 2ksy h MET 145 Cb 1.08 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 2ksy h MET 145 CO -0.00 0.35 -1.05 1.79 1.06 0.00 0.00 176.91 179.06 2ksy h THR 146 N 0.55 1.60 -0.10 2.22 1.35 -1.41 -2.71 112.91 114.41 2ksy h THR 146 Ca 0.41 -3.13 -0.00 0.00 -0.55 0.00 0.00 66.41 63.14 2ksy h THR 146 Cb 0.80 2.80 -0.00 0.00 -1.73 0.00 0.00 68.15 70.01 2ksy h THR 146 CO -0.16 0.90 0.05 -0.08 -0.25 0.00 0.00 175.52 175.98 2ksy h GLU 147 N 0.04 0.14 -0.17 4.72 4.81 -1.25 -0.66 114.58 122.21 2ksy h GLU 147 Ca -0.06 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 2ksy h GLU 147 Cb 1.77 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.12 2ksy h GLU 147 CO 0.15 0.19 -0.24 0.77 -0.73 0.00 0.00 179.01 179.15 2ksy h SER 148 N 0.05 0.51 0.51 1.04 0.02 -1.50 -2.92 113.55 111.26 2ksy h SER 148 Ca 0.03 -0.51 -0.03 0.00 -0.84 0.00 0.00 61.79 60.44 2ksy h SER 148 Cb 0.09 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.49 2ksy h SER 148 CO -0.00 0.93 -0.25 0.00 -1.14 0.00 0.00 176.83 176.37 2ksy h ALA 149 N 0.60 -0.69 0.00 3.77 0.00 -1.46 0.63 119.26 122.11 2ksy h ALA 149 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2ksy h ALA 149 Cb 0.81 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2ksy h ALA 149 CO 0.06 -0.88 0.00 0.43 0.00 0.00 0.00 179.25 178.86 2ksy n SER 150 N -5.38 0.00 0.00 0.00 7.64 -0.26 -1.08 113.62 114.55 2ksy n SER 150 Ca -0.12 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2ksy n SER 150 Cb 0.29 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 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 -1.40 1.90 -0.08 1.43 6.02 -0.72 -4.74 117.38 119.79 2ksy n GLN 151 Ca 0.02 -1.21 -0.14 0.00 -0.01 0.00 0.00 57.00 55.66 2ksy n GLN 151 Cb 0.06 -0.98 -0.09 0.00 1.02 0.00 0.00 30.24 30.25 2ksy n GLN 151 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2ksy h ARG 152 N 0.00 0.00 -3.15 -1.09 9.65 0.19 -3.49 114.38 116.49 2ksy h ARG 152 Ca 0.00 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.89 2ksy h ARG 152 Cb 0.40 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.94 2ksy h ARG 152 CO 0.00 0.75 0.17 -1.12 2.80 0.00 0.00 179.97 182.57 2ksy s SER 153 N -6.35 -0.10 0.11 -3.80 0.01 -1.24 -5.01 113.70 97.32 2ksy s SER 153 Ca -0.20 -0.85 -0.12 0.00 1.31 0.00 0.00 55.95 56.08 2ksy s SER 153 Cb 0.02 0.74 -0.12 0.00 0.21 0.00 0.00 66.02 66.87 2ksy s SER 153 CO 0.51 -1.41 1.36 -1.28 0.41 0.00 0.00 173.24 172.82 2ksy h SER 154 N 2.04 0.95 0.86 2.44 0.87 -1.93 -3.23 113.55 115.55 2ksy h SER 154 Ca -0.24 -0.57 -0.19 0.00 -1.23 0.00 0.00 61.79 59.56 2ksy h SER 154 Cb 1.25 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.91 2ksy h SER 154 CO 0.30 1.36 -0.88 1.23 -0.53 0.00 0.00 176.83 178.31 2ksy h GLY 155 N 0.60 0.02 0.89 5.77 0.00 -1.96 -3.32 103.07 105.05 2ksy h GLY 155 Ca -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.30 2ksy h GLY 155 CO 0.14 0.03 0.20 -2.22 0.00 0.00 0.00 176.54 174.69 2ksy h ILE 156 N 0.01 1.02 -0.55 2.60 1.08 -1.86 -2.30 117.51 117.51 2ksy h ILE 156 Ca -0.01 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2ksy h ILE 156 Cb 1.55 0.57 -0.03 0.00 -3.07 0.00 0.00 36.82 35.84 2ksy h ILE 156 CO 0.12 0.08 0.33 0.07 -0.69 0.00 0.00 178.15 178.05 2ksy h LYS 157 N 0.42 0.74 -0.34 2.37 2.10 -1.66 -0.97 116.57 119.24 2ksy h LYS 157 Ca 0.15 -0.06 -0.05 0.00 -2.00 0.00 0.00 60.65 58.68 2ksy h LYS 157 Cb 0.02 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 31.18 2ksy h LYS 157 CO -0.08 0.52 -0.00 0.77 -2.00 0.00 0.00 179.45 178.66 2ksy h SER 158 N 0.75 0.58 -0.25 7.07 0.02 -1.55 -1.80 113.55 118.37 2ksy h SER 158 Ca 0.20 -0.31 -0.13 0.00 -0.84 0.00 0.00 61.79 60.71 2ksy h SER 158 Cb -0.02 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 2ksy h SER 158 CO -0.04 0.75 -0.30 -0.07 -1.14 0.00 0.00 176.83 176.03 2ksy h LEU 159 N 0.40 0.79 -0.32 5.07 3.38 -1.05 -2.85 115.31 120.73 2ksy h LEU 159 Ca 0.09 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 2ksy h LEU 159 Cb 0.45 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2ksy h LEU 159 CO 0.02 1.04 -0.17 0.22 0.09 0.00 0.00 178.44 179.63 2ksy h TYR 160 N 0.65 0.78 -0.29 1.13 5.03 -1.11 -0.55 116.97 122.60 2ksy h TYR 160 Ca 0.07 -0.20 -0.02 0.00 2.58 0.00 0.00 58.73 61.16 2ksy h TYR 160 Cb 0.83 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.92 2ksy h TYR 160 CO 0.04 0.90 0.10 -0.39 -1.32 0.00 0.00 178.16 177.49 2ksy h VAL 161 N 0.44 1.19 -0.06 1.81 -1.51 -1.34 0.03 116.25 116.82 2ksy h VAL 161 Ca 0.07 -0.61 -0.02 0.00 -1.23 0.00 0.00 66.70 64.90 2ksy h VAL 161 Cb 0.71 1.05 -0.00 0.00 -2.13 0.00 0.00 31.29 30.92 2ksy h VAL 161 CO 0.05 0.21 -0.05 -0.09 -1.23 0.00 0.00 177.57 176.46 2ksy h ARG 162 N 0.31 0.13 0.47 5.19 9.65 -1.53 -2.67 114.38 125.94 2ksy h ARG 162 Ca 0.09 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 2ksy h ARG 162 Cb 0.22 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 2ksy h ARG 162 CO -0.00 0.56 -0.22 -0.07 2.80 0.00 0.00 179.97 183.03 2ksy h LEU 163 N -0.29 -0.53 -0.16 3.80 4.07 -1.10 -2.77 115.31 118.33 2ksy h LEU 163 Ca 0.01 -0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.00 2ksy h LEU 163 Cb 0.53 0.14 -0.04 0.00 1.08 0.00 0.00 40.66 42.37 2ksy h LEU 163 CO 0.01 -0.35 -0.07 -0.09 -1.08 0.00 0.00 178.44 176.86 2ksy h ARG 164 N -0.67 -0.05 -0.27 1.13 1.12 -1.09 -0.57 114.38 113.98 2ksy h ARG 164 Ca -0.06 0.00 0.06 0.00 -1.11 0.00 0.00 59.98 58.87 2ksy h ARG 164 Cb 0.50 0.01 -0.06 0.00 -0.01 0.00 0.00 29.97 30.41 2ksy h ARG 164 CO 0.11 -0.04 -0.16 -0.91 -3.11 0.00 0.00 179.97 175.86 2ksy h ASN 165 N -0.06 -0.52 0.23 -3.80 -0.26 -1.49 -0.19 115.58 109.50 2ksy h ASN 165 Ca 0.09 0.12 -0.01 0.00 -0.56 0.00 0.00 56.30 55.93 2ksy h ASN 165 Cb 0.19 0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.72 2ksy h ASN 165 CO -0.20 -0.20 -0.11 0.25 -1.06 0.00 0.00 177.43 176.12 2ksy h LEU 166 N -0.13 -0.26 -0.03 1.61 6.46 -1.25 -2.81 115.31 118.90 2ksy h LEU 166 Ca 0.14 -0.09 0.03 0.00 -0.12 0.00 0.00 57.88 57.85 2ksy h LEU 166 Cb 0.35 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 2ksy h LEU 166 CO -0.35 -0.07 -0.21 0.74 -0.62 0.00 0.00 178.44 177.93 2ksy h THR 167 N -0.43 0.50 -0.67 1.05 2.02 -0.84 -2.71 112.91 111.82 2ksy h THR 167 Ca -0.03 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.23 2ksy h THR 167 Cb 0.33 0.50 -0.06 0.00 -1.74 0.00 0.00 68.15 67.18 2ksy h THR 167 CO 0.05 0.00 0.34 0.58 0.37 0.00 0.00 175.52 176.86 2ksy h VAL 168 N -0.32 0.89 0.39 3.16 2.07 -1.07 0.03 116.25 121.40 2ksy h VAL 168 Ca 0.07 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 2ksy h VAL 168 Cb 0.41 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2ksy h VAL 168 CO -0.21 0.11 -0.24 0.58 0.02 0.00 0.00 177.57 177.83 2ksy h VAL 169 N 0.60 0.00 -0.14 2.57 2.07 -1.22 -0.42 116.25 119.71 2ksy h VAL 169 Ca 0.32 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.81 2ksy h VAL 169 Cb 0.28 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2ksy h VAL 169 CO -0.23 0.00 -0.03 0.17 0.02 0.00 0.00 177.57 177.50 2ksy h LEU 170 N -0.59 0.19 -0.91 2.57 8.10 -1.46 -1.83 115.31 121.37 2ksy h LEU 170 Ca -0.05 -0.02 -0.11 0.00 0.11 0.00 0.00 57.88 57.80 2ksy h LEU 170 Cb 0.47 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 40.63 2ksy h LEU 170 CO 0.05 0.26 -0.50 -0.50 -4.11 0.00 0.00 178.44 173.65 2ksy h TRP 171 N 0.21 0.14 0.00 0.17 4.06 -0.91 -2.40 115.95 117.21 2ksy h TRP 171 Ca 0.05 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.96 2ksy h TRP 171 Cb 0.20 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 2ksy h TRP 171 CO 0.00 0.59 0.00 0.00 -3.56 0.00 0.00 178.44 175.47 2ksy n ALA 172 N -2.46 2.07 0.13 1.49 0.00 -0.18 -2.27 120.51 119.30 2ksy n ALA 172 Ca -0.02 -0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.41 2ksy n ALA 172 Cb 0.53 -1.35 0.03 0.00 0.00 0.00 0.00 19.45 18.66 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 0.21 -0.23 0.00 1.08 -1.35 -3.37 117.51 113.86 2ksy h ILE 173 Ca 0.00 -1.35 0.05 0.00 -0.39 0.00 0.00 64.86 63.17 2ksy h ILE 173 Cb 0.24 1.86 -0.05 0.00 -3.07 0.00 0.00 36.82 35.80 2ksy h ILE 173 CO 0.00 0.12 -0.10 1.88 -0.69 0.00 0.00 178.15 179.36 2ksy h TYR 174 N 0.00 -0.24 -1.35 1.37 0.05 -1.53 -1.38 116.97 113.89 2ksy h TYR 174 Ca -0.03 0.02 0.39 0.00 0.05 0.00 0.00 58.73 59.17 2ksy h TYR 174 Cb 1.16 0.14 -0.06 0.00 1.01 0.00 0.00 36.73 38.98 2ksy h TYR 174 CO 0.00 -0.16 0.96 -1.35 -1.05 0.00 0.00 178.16 176.56 2ksy h PRO 175 N -0.07 0.04 0.00 4.88 0.11 -1.77 0.42 132.00 135.62 2ksy h PRO 175 Ca 0.12 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 2ksy h PRO 175 Cb 0.25 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 2ksy h PRO 175 CO -0.27 0.03 -0.09 0.74 -0.21 0.00 0.00 178.00 178.19 2ksy h PHE 176 N 0.04 0.00 -0.53 0.65 0.04 -1.51 -3.10 116.94 112.54 2ksy h PHE 176 Ca 0.66 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.40 2ksy h PHE 176 Cb 2.53 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 40.66 2ksy h PHE 176 CO -0.00 1.04 0.18 0.82 -0.60 0.00 0.00 178.31 179.75 2ksy h ILE 177 N -1.00 1.20 -0.07 -0.55 1.08 -0.58 0.21 117.51 117.80 2ksy h ILE 177 Ca -0.03 -0.67 -0.05 0.00 -0.39 0.00 0.00 64.86 63.72 2ksy h ILE 177 Cb 1.03 0.61 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 2ksy h ILE 177 CO -0.01 0.26 -0.13 -0.25 -0.69 0.00 0.00 178.15 177.32 2ksy h TRP 178 N 0.76 0.27 0.24 1.37 7.01 -1.14 -0.29 115.95 124.16 2ksy h TRP 178 Ca 0.18 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 2ksy h TRP 178 Cb 0.20 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.21 2ksy h TRP 178 CO 0.01 0.73 -0.11 1.25 -2.79 0.00 0.00 178.44 177.53 2ksy h LEU 179 N -0.26 -0.27 -0.74 0.65 5.85 -1.44 -2.71 115.31 116.40 2ksy h LEU 179 Ca 0.00 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.39 2ksy h LEU 179 Cb 0.71 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 2ksy h LEU 179 CO 0.03 0.19 0.10 -0.07 -0.34 0.00 0.00 178.44 178.35 2ksy h LEU 180 N -0.81 1.02 0.00 2.25 3.38 -0.72 0.30 115.31 120.73 2ksy h LEU 180 Ca -0.03 -0.24 -0.35 0.00 0.09 0.00 0.00 57.88 57.34 2ksy h LEU 180 Cb 0.51 -0.27 0.20 0.00 0.09 0.00 0.00 40.66 41.19 2ksy h LEU 180 CO 0.05 1.02 -0.10 0.61 0.09 0.00 0.00 178.44 180.11 2ksy n GLY 181 N -0.61 -3.69 0.29 0.83 0.00 -0.12 -0.17 105.19 101.72 2ksy n GLY 181 Ca 0.04 -1.33 0.09 0.00 0.00 0.00 0.00 46.02 44.82 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 0.35 -0.86 1.61 0.11 -1.83 -1.28 132.00 130.10 2ksy h PRO 182 Ca -0.38 -0.02 0.25 0.00 0.11 0.00 0.00 66.00 65.96 2ksy h PRO 182 Cb 1.25 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 2ksy h PRO 182 CO 0.23 0.23 0.81 -1.35 -0.21 0.00 0.00 178.00 177.71 2ksy h PRO 183 N 0.36 0.00 0.00 1.05 0.11 -1.86 -3.40 132.00 128.26 2ksy h PRO 183 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 2ksy h PRO 183 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2ksy h PRO 183 CO -0.51 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.69 2ksy n GLY 184 N -1.65 1.95 0.28 -0.55 0.00 -0.58 -4.58 105.19 100.06 2ksy n GLY 184 Ca 0.18 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 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 -5.35 1.61 -1.51 -0.52 -3.48 116.25 107.76 2ksy h VAL 185 Ca 0.00 -0.06 -0.03 0.00 -1.23 0.00 0.00 66.70 65.38 2ksy h VAL 185 Cb 0.00 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 2ksy h VAL 185 CO 0.00 0.02 -0.69 0.00 -1.23 0.00 0.00 177.57 175.67 2ksy n ALA 186 N -2.43 -3.07 -0.11 5.19 0.00 -0.31 -4.98 120.51 114.81 2ksy n ALA 186 Ca -0.03 0.93 -0.24 0.00 0.00 0.00 0.00 53.44 54.10 2ksy n ALA 186 Cb 0.10 -2.92 -0.11 0.00 0.00 0.00 0.00 19.45 16.52 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 0.00 1.90 0.00 0.00 4.77 0.76 -4.92 117.00 119.51 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 0.36 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 2ksy n LEU 187 CO 0.47 0.36 0.00 0.18 -1.33 0.00 0.00 177.39 177.06 2ksy n LEU 188 N -4.37 0.00 -4.81 2.23 7.99 -1.26 -5.08 117.00 111.70 2ksy n LEU 188 Ca -0.37 0.00 -0.38 0.00 -0.01 0.00 0.00 56.01 55.25 2ksy n LEU 188 Cb 0.74 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.99 2ksy n LEU 188 CO 0.16 -0.06 0.13 -0.89 -1.51 0.00 0.00 177.39 175.21 2ksy s THR 189 N 0.99 5.04 0.23 -5.08 2.01 -1.26 -4.87 115.64 112.70 2ksy s THR 189 Ca 0.00 0.89 -0.12 0.00 0.31 0.00 0.00 61.69 62.77 2ksy s THR 189 Cb 0.00 -3.75 0.31 0.00 0.01 0.00 0.00 72.50 69.07 2ksy s THR 189 CO 0.00 0.53 1.60 -0.65 -0.69 0.00 0.00 174.62 175.41 2ksy h PRO 190 N 5.11 -0.00 -1.00 4.92 0.11 -1.99 0.84 132.00 139.99 2ksy h PRO 190 Ca -0.49 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.71 2ksy h PRO 190 Cb 1.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 2ksy h PRO 190 CO 0.65 -0.00 0.64 0.00 -0.21 0.00 0.00 178.00 179.07 2ksy h THR 191 N -0.00 1.02 -0.10 -1.15 1.03 -1.99 -1.39 112.91 110.33 2ksy h THR 191 Ca 0.36 -0.37 -0.01 0.00 -0.01 0.00 0.00 66.41 66.38 2ksy h THR 191 Cb 0.55 -0.17 -0.00 0.00 -1.07 0.00 0.00 68.15 67.46 2ksy h THR 191 CO -0.78 0.20 0.02 0.58 -0.01 0.00 0.00 175.52 175.53 2ksy h VAL 192 N 1.09 1.20 -0.61 0.00 2.07 -1.27 -2.36 116.25 116.37 2ksy h VAL 192 Ca 0.45 -0.61 0.05 0.00 0.82 0.00 0.00 66.70 67.41 2ksy h VAL 192 Cb 0.30 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 2ksy h VAL 192 CO -0.20 0.18 0.34 -0.78 0.02 0.00 0.00 177.57 177.12 2ksy h ASP 193 N -0.06 0.50 -0.54 0.57 3.58 -0.81 -1.51 116.42 118.15 2ksy h ASP 193 Ca 0.03 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 2ksy h ASP 193 Cb 0.26 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 2ksy h ASP 193 CO 0.00 0.33 0.32 0.58 -2.88 0.00 0.00 179.24 177.60 2ksy h VAL 194 N 0.64 1.17 -0.22 2.25 2.07 -1.19 -0.97 116.25 120.00 2ksy h VAL 194 Ca 0.27 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2ksy h VAL 194 Cb 0.15 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2ksy h VAL 194 CO -0.17 0.18 0.14 0.00 0.02 0.00 0.00 177.57 177.74 2ksy h ALA 195 N 1.58 0.28 -0.42 1.67 0.00 -0.73 0.82 119.26 122.46 2ksy h ALA 195 Ca 0.20 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2ksy h ALA 195 Cb -0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2ksy h ALA 195 CO -0.04 -0.24 -0.03 -0.07 0.00 0.00 0.00 179.25 178.87 2ksy h LEU 196 N 0.29 0.76 0.68 0.00 3.38 -1.13 -1.33 115.31 117.95 2ksy h LEU 196 Ca 0.08 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 2ksy h LEU 196 Cb -0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2ksy h LEU 196 CO -0.02 0.90 -0.48 0.40 0.09 0.00 0.00 178.44 179.33 2ksy h ILE 197 N 0.60 0.04 -0.89 1.22 1.08 -0.96 0.30 117.51 118.91 2ksy h ILE 197 Ca 0.12 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.79 2ksy h ILE 197 Cb 0.53 0.04 -0.06 0.00 -3.07 0.00 0.00 36.82 34.26 2ksy h ILE 197 CO 0.03 0.00 0.59 0.58 -0.69 0.00 0.00 178.15 178.66 2ksy h VAL 198 N -1.11 0.68 -0.12 1.67 2.07 -0.86 0.36 116.25 118.95 2ksy h VAL 198 Ca -0.09 -0.14 -0.12 0.00 0.82 0.00 0.00 66.70 67.18 2ksy h VAL 198 Cb 0.91 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2ksy h VAL 198 CO 0.04 0.07 -0.44 0.22 0.02 0.00 0.00 177.57 177.48 2ksy h TYR 199 N 0.40 0.33 -0.44 1.57 3.20 -0.21 -1.03 116.97 120.79 2ksy h TYR 199 Ca 0.46 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 62.13 2ksy h TYR 199 Cb 1.16 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 2ksy h TYR 199 CO -0.00 0.68 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.99 2ksy h LEU 200 N 0.23 0.88 -0.40 2.82 3.38 0.34 -1.19 115.31 121.37 2ksy h LEU 200 Ca 0.02 -0.38 -0.18 0.00 0.09 0.00 0.00 57.88 57.43 2ksy h LEU 200 Cb 0.88 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2ksy h LEU 200 CO 0.07 1.06 -0.73 0.44 0.09 0.00 0.00 178.44 179.37 2ksy h ASP 201 N 0.70 0.48 0.55 -0.43 5.19 -1.28 -2.83 116.42 118.80 2ksy h ASP 201 Ca 0.11 -0.32 -0.08 0.00 -0.62 0.00 0.00 57.03 56.12 2ksy h ASP 201 Cb 0.69 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 2ksy h ASP 201 CO 0.05 1.05 -0.40 -0.07 -3.12 0.00 0.00 179.24 176.76 2ksy h LEU 202 N 0.27 0.00 0.18 1.55 3.38 -1.07 -3.20 115.31 116.43 2ksy h LEU 202 Ca -0.03 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.62 2ksy h LEU 202 Cb 1.30 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.07 2ksy h LEU 202 CO 0.13 0.40 -1.51 1.62 0.09 0.00 0.00 178.44 179.16 2ksy h VAL 203 N 0.00 1.21 0.00 1.22 3.04 -1.16 -2.06 116.25 118.50 2ksy h VAL 203 Ca -0.00 -2.76 0.00 0.00 -1.01 0.00 0.00 66.70 62.93 2ksy h VAL 203 Cb 0.78 2.88 0.00 0.00 -2.01 0.00 0.00 31.29 32.94 2ksy h VAL 203 CO 0.05 0.84 0.00 0.41 -1.01 0.00 0.00 177.57 177.86 2ksy n THR 204 N -3.58 0.00 0.00 3.17 -1.04 -1.07 0.07 114.28 111.83 2ksy n THR 204 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2ksy n THR 204 Cb 1.07 -0.29 0.00 0.00 -1.82 0.00 0.00 70.33 69.28 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 -0.37 0.00 0.04 12.58 0.31 -0.77 -2.19 118.33 127.93 2ksy n VAL 206 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2ksy n VAL 206 Cb 0.01 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.86 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 -0.16 0.97 2.92 0.00 -0.50 -0.69 103.07 105.61 2ksy h GLY 207 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.41 2ksy h GLY 207 CO 0.00 -0.06 0.64 -2.75 0.00 0.00 0.00 176.54 174.37 2ksy h PHE 208 N -0.73 1.20 -0.34 5.60 3.04 -1.46 0.70 116.94 124.96 2ksy h PHE 208 Ca -0.02 0.03 -0.16 0.00 3.98 0.00 0.00 57.97 61.80 2ksy h PHE 208 Cb 0.54 -0.41 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 2ksy h PHE 208 CO 0.09 0.74 -0.44 0.78 -2.02 0.00 0.00 178.31 177.47 2ksy h GLY 209 N 1.28 0.94 0.96 2.40 0.00 -1.74 1.14 103.07 108.05 2ksy h GLY 209 Ca 0.36 -1.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.60 2ksy h GLY 209 CO -0.09 0.90 -0.16 0.74 0.00 0.00 0.00 176.54 177.93 2ksy h PHE 210 N 0.69 0.81 0.00 5.60 0.04 -0.81 0.22 116.94 123.50 2ksy h PHE 210 Ca 0.05 -0.20 -0.07 0.00 2.80 0.00 0.00 57.97 60.54 2ksy h PHE 210 Cb 1.02 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.97 2ksy h PHE 210 CO 0.06 0.91 -0.33 0.82 -0.60 0.00 0.00 178.31 179.17 2ksy h ILE 211 N 0.48 1.12 -0.52 -0.55 2.04 -0.80 -1.80 117.51 117.48 2ksy h ILE 211 Ca 0.07 -1.18 -0.10 0.00 1.00 0.00 0.00 64.86 64.65 2ksy h ILE 211 Cb 0.70 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 2ksy h ILE 211 CO 0.05 0.32 -0.08 0.00 0.00 0.00 0.00 178.15 178.45 2ksy h ALA 212 N 1.67 0.71 0.11 1.87 0.00 0.24 -2.80 119.26 121.05 2ksy h ALA 212 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2ksy h ALA 212 Cb 0.63 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2ksy h ALA 212 CO 0.04 0.59 -0.05 -0.07 0.00 0.00 0.00 179.25 179.76 2ksy h LEU 213 N 0.83 -0.12 -0.26 0.00 3.38 -0.19 -2.56 115.31 116.39 2ksy h LEU 213 Ca 0.14 -0.40 0.06 0.00 0.09 0.00 0.00 57.88 57.77 2ksy h LEU 213 Cb 0.63 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.34 2ksy h LEU 213 CO 0.04 0.37 -0.32 0.44 0.09 0.00 0.00 178.44 179.07 2ksy h ASP 214 N -0.66 -1.02 0.45 -0.43 3.32 -1.38 0.27 116.42 116.96 2ksy h ASP 214 Ca -0.01 0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2ksy h ASP 214 Cb 0.52 0.46 0.00 0.00 0.22 0.00 0.00 39.33 40.53 2ksy h ASP 214 CO 0.02 -0.33 -0.22 0.00 -1.72 0.00 0.00 179.24 177.00 2ksy h ALA 215 N 0.60 -0.60 -0.56 3.45 0.00 -1.60 -2.39 119.26 118.16 2ksy h ALA 215 Ca 0.13 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.02 2ksy h ALA 215 Cb 0.53 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2ksy h ALA 215 CO -0.44 -0.83 0.38 0.00 0.00 0.00 0.00 179.25 178.37 2ksy h ALA 216 N -0.07 2.16 -0.65 0.00 0.00 -1.17 -0.48 119.26 119.05 2ksy h ALA 216 Ca -0.06 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2ksy h ALA 216 Cb 0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2ksy h ALA 216 CO 0.10 -0.30 0.06 0.00 0.00 0.00 0.00 179.25 179.12 2ksy h ALA 217 N 1.72 0.88 -0.42 0.00 0.00 -0.08 -0.93 119.26 120.44 2ksy h ALA 217 Ca 0.27 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2ksy h ALA 217 Cb 0.68 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2ksy h ALA 217 CO -0.06 0.67 0.09 1.15 0.00 0.00 0.00 179.25 181.10 2ksy h THR 218 N 1.02 1.24 0.00 0.00 2.02 -0.61 0.12 112.91 116.70 2ksy h THR 218 Ca 0.19 -0.84 -0.05 0.00 0.77 0.00 0.00 66.41 66.49 2ksy h THR 218 Cb 0.49 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2ksy h THR 218 CO 0.02 0.29 -0.22 -0.07 0.37 0.00 0.00 175.52 175.91 2ksy h LEU 219 N 0.55 0.00 0.03 2.58 3.38 -1.27 -1.80 115.31 118.77 2ksy h LEU 219 Ca 0.13 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.84 2ksy h LEU 219 Cb 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2ksy h LEU 219 CO 0.00 0.22 -1.35 -0.09 0.09 0.00 0.00 178.44 177.31 2ksy h ARG 220 N 0.00 0.06 0.00 1.13 2.43 -0.73 -3.34 114.38 113.93 2ksy h ARG 220 Ca -0.00 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2ksy h ARG 220 Cb 0.59 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2ksy h ARG 220 CO 0.03 0.87 -0.33 0.00 -1.51 0.00 0.00 179.97 179.02 2ksy h ALA 221 N 0.88 0.84 0.00 2.80 0.00 -0.51 -3.25 119.26 120.01 2ksy h ALA 221 Ca -0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2ksy h ALA 221 Cb 1.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2ksy h ALA 221 CO 0.12 0.06 0.00 -0.85 0.00 0.00 0.00 179.25 178.59 2ksy n GLU 222 N -2.99 0.22 0.04 0.00 0.28 -0.70 -1.86 120.64 115.63 2ksy n GLU 222 Ca 0.02 0.35 -0.06 0.00 -0.16 0.00 0.00 57.16 57.31 2ksy n GLU 222 Cb 0.56 -1.85 0.12 0.00 1.43 0.00 0.00 31.44 31.69 2ksy n GLU 222 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2ksy h HIS 223 N 0.00 0.49 0.02 -1.84 3.86 -1.72 -3.35 115.15 112.61 2ksy h HIS 223 Ca 0.00 -0.16 -0.36 0.00 -1.16 0.00 0.00 60.37 58.69 2ksy h HIS 223 Cb 0.51 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.83 2ksy h HIS 223 CO 0.00 0.83 -1.99 0.41 0.86 0.00 0.00 177.93 178.04 2ksy n GLY 224 N 0.12 -0.60 3.59 2.45 0.00 -1.13 -4.88 105.19 104.75 2ksy n GLY 224 Ca -0.02 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.47 3.93 -0.17 1.61 0.41 -0.78 -4.96 118.70 116.27 2ksy s GLU 225 Ca -0.32 -0.30 -0.15 0.00 -0.41 0.00 0.00 54.97 53.79 2ksy s GLU 225 Cb 0.09 -3.67 -0.07 0.00 -1.78 0.00 0.00 34.13 28.71 2ksy s GLU 225 CO 0.59 -0.20 -0.31 0.45 -0.49 0.00 0.00 175.26 175.29 2ksy n SER 226 N 5.09 1.83 -4.15 -0.19 2.88 -1.26 -4.31 113.62 113.51 2ksy n SER 226 Ca -0.13 0.31 -0.28 0.00 -1.33 0.00 0.00 58.87 57.43 2ksy n SER 226 Cb 0.52 -0.70 -0.16 0.00 -0.75 0.00 0.00 64.21 63.11 2ksy n SER 226 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2ksy s LEU 227 N -7.70 1.92 0.45 2.46 2.96 -1.26 -5.12 118.68 112.39 2ksy s LEU 227 Ca -0.28 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.18 2ksy s LEU 227 Cb 0.06 -1.10 -0.03 0.00 0.50 0.00 0.00 46.19 45.62 2ksy s LEU 227 CO 0.40 0.14 0.73 0.00 -1.32 0.00 0.00 176.35 176.29 2ksy s ALA 228 N 0.23 3.48 0.00 5.97 0.00 -1.26 -4.90 121.76 125.28 2ksy s ALA 228 Ca -0.10 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2ksy s ALA 228 Cb -0.14 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.52 2ksy s ALA 228 CO 0.04 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.92 2ksy n GLY 229 N -2.15 0.74 3.79 0.00 0.00 -1.26 -5.11 105.19 101.19 2ksy n GLY 229 Ca -0.01 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 2ksy n GLY 229 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ksy s VAL 230 N -0.48 4.48 -0.32 1.61 1.01 -1.26 -5.05 120.40 120.38 2ksy s VAL 230 Ca 0.00 1.54 -0.03 0.00 0.00 0.00 0.00 61.98 63.49 2ksy s VAL 230 Cb 0.00 -4.05 0.05 0.00 0.00 0.00 0.00 36.38 32.38 2ksy s VAL 230 CO 0.00 0.50 0.04 1.51 0.00 0.00 0.00 175.10 177.16 2ksy s ASP 231 N -1.18 5.03 -0.18 3.32 -4.77 -1.26 -5.07 116.67 112.56 2ksy s ASP 231 Ca 0.35 -1.30 -0.14 0.00 -3.30 0.00 0.00 52.55 48.15 2ksy s ASP 231 Cb -0.22 -1.76 0.05 0.00 -1.09 0.00 0.00 42.92 39.90 2ksy s ASP 231 CO 0.24 -0.30 0.47 0.28 0.70 0.00 0.00 175.17 176.56 2ksy s THR 232 N 1.28 -0.01 -0.04 2.11 -1.32 -1.26 -5.09 115.64 111.31 2ksy s THR 232 Ca -0.03 0.03 -0.02 0.00 -1.21 0.00 0.00 61.69 60.46 2ksy s THR 232 Cb -0.20 -0.67 -0.01 0.00 -1.51 0.00 0.00 72.50 70.11 2ksy s THR 232 CO -0.00 0.01 -0.03 0.44 -2.21 0.00 0.00 174.62 172.83 2ksy h ASP 233 N 6.03 0.00 -3.20 8.08 5.19 -1.99 -3.47 116.42 127.06 2ksy h ASP 233 Ca -0.30 0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 55.44 2ksy h ASP 233 Cb 1.18 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.57 2ksy h ASP 233 CO 0.23 0.21 -0.60 0.28 -3.12 0.00 0.00 179.24 176.24 2ksy s THR 234 N -1.30 4.52 0.07 0.35 -1.32 -1.26 -5.04 115.64 111.66 2ksy s THR 234 Ca -0.03 -0.39 -0.20 0.00 -1.21 0.00 0.00 61.69 59.86 2ksy s THR 234 Cb 0.00 -3.01 -0.11 0.00 -1.51 0.00 0.00 72.50 67.88 2ksy s THR 234 CO 0.04 0.43 1.55 1.55 -2.21 0.00 0.00 174.62 175.97 2ksy h PRO 235 N 4.45 0.29 -6.78 7.08 0.13 -2.05 -3.44 132.00 131.68 2ksy h PRO 235 Ca -0.50 -0.08 -0.57 0.00 -0.87 0.00 0.00 66.00 63.98 2ksy h PRO 235 Cb 1.19 -0.03 0.14 0.00 0.13 0.00 0.00 31.00 32.42 2ksy h PRO 235 CO 0.59 0.45 0.29 0.00 -0.23 0.00 0.00 178.00 179.10 2ksy n ALA 236 N -2.29 0.64 -2.89 -0.56 0.00 -1.26 -4.99 120.51 109.17 2ksy n ALA 236 Ca -0.05 0.17 -0.33 0.00 0.00 0.00 0.00 53.44 53.24 2ksy n ALA 236 Cb 0.18 -2.17 -0.05 0.00 0.00 0.00 0.00 19.45 17.41 2ksy n ALA 236 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ksy s VAL 237 N -1.31 5.34 0.35 0.00 0.11 -1.26 -5.10 120.40 118.53 2ksy s VAL 237 Ca 0.66 -0.20 0.03 0.00 -2.93 0.00 0.00 61.98 59.55 2ksy s VAL 237 Cb -0.49 -3.50 -0.04 0.00 -1.53 0.00 0.00 36.38 30.82 2ksy s VAL 237 CO 0.54 0.32 0.13 0.00 -3.33 0.00 0.00 175.10 172.76 2ksy s ALA 238 N -1.32 2.37 1.00 1.54 0.00 -1.26 -5.16 121.76 118.93 2ksy s ALA 238 Ca 0.27 -1.62 -0.16 0.00 0.00 0.00 0.00 51.96 50.45 2ksy s ALA 238 Cb -0.13 0.93 0.20 0.00 0.00 0.00 0.00 23.12 24.12 2ksy s ALA 238 CO 0.18 -0.41 1.22 0.16 0.00 0.00 0.00 175.76 176.91 2ksy s ASP 239 N -3.48 2.73 0.00 0.00 1.47 -1.26 -5.02 116.67 111.12 2ksy s ASP 239 Ca 0.32 0.53 0.00 0.00 1.18 0.00 0.00 52.55 54.57 2ksy s ASP 239 Cb 0.05 -0.75 0.00 0.00 -0.34 0.00 0.00 42.92 41.87 2ksy s ASP 239 CO 0.16 -2.99 0.54 0.00 0.68 0.00 0.00 175.17 173.56 2ksy n LEU 240 N -3.99 0.00 -4.63 2.11 -0.00 -1.26 -5.09 117.00 104.14 2ksy n LEU 240 Ca 0.13 -0.65 -0.43 0.00 -0.00 0.00 0.00 56.01 55.06 2ksy n LEU 240 Cb 0.60 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.99 2ksy n LEU 240 CO 0.49 0.43 1.46 -0.70 -0.00 0.00 0.00 177.39 179.07 2ksy s GLU 241 N 0.00 3.79 0.23 1.47 2.56 -1.26 -4.97 118.70 120.52 2ksy s GLU 241 Ca 0.00 1.88 -0.30 0.00 0.00 0.00 0.00 54.97 56.55 2ksy s GLU 241 Cb 0.00 -4.09 -0.09 0.00 2.00 0.00 0.00 34.13 31.95 2ksy s GLU 241 CO 0.00 -1.31 0.97 -1.01 -0.56 0.00 0.00 175.26 173.35 2ksy s HIS 242 N 5.38 3.90 -0.22 5.30 3.76 -1.26 -5.02 115.29 127.13 2ksy s HIS 242 Ca 0.77 1.86 -0.23 0.00 -0.15 0.00 0.00 55.06 57.31 2ksy s HIS 242 Cb -0.29 -3.04 -0.01 0.00 1.11 0.00 0.00 32.58 30.34 2ksy s HIS 242 CO 0.31 0.25 0.76 -1.01 -0.85 0.00 0.00 174.74 174.20 2ksy s HIS 243 N -1.00 3.34 0.60 1.40 0.09 -1.26 -5.05 115.29 113.41 2ksy s HIS 243 Ca 0.43 1.07 -0.06 0.00 -0.00 0.00 0.00 55.06 56.49 2ksy s HIS 243 Cb -0.27 -2.96 0.01 0.00 -0.00 0.00 0.00 32.58 29.36 2ksy s HIS 243 CO 0.33 -0.31 0.92 -3.38 -0.00 0.00 0.00 174.74 172.30 2ksy s HIS 244 N 2.48 3.26 0.00 1.40 -3.43 -1.26 -5.01 115.29 112.73 2ksy s HIS 244 Ca 0.33 0.68 0.00 0.00 -0.80 0.00 0.00 55.06 55.27 2ksy s HIS 244 Cb -0.16 -2.77 0.00 0.00 -1.43 0.00 0.00 32.58 28.22 2ksy s HIS 244 CO 0.09 -0.86 0.37 0.72 -2.00 0.00 0.00 174.74 173.06 2ksy n HIS 245 N -2.63 0.00 0.07 0.38 8.25 -1.26 -4.80 115.22 115.23 2ksy n HIS 245 Ca 0.05 -0.06 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 2ksy n HIS 245 Cb 0.58 -0.01 0.22 0.00 1.12 0.00 0.00 29.99 31.90 2ksy n HIS 245 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2ksy h HIS 246 N 0.00 0.37 0.00 4.41 6.17 -2.05 -3.59 115.15 120.46 2ksy h HIS 246 Ca 0.00 -0.09 0.00 0.00 0.71 0.00 0.00 60.37 60.99 2ksy h HIS 246 Cb 0.66 -0.08 0.00 0.00 2.52 0.00 0.00 27.41 30.51 2ksy h HIS 246 CO 0.00 0.64 0.00 1.58 0.71 0.00 0.00 177.93 180.86