#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 -0.07 2.03 3.14 -1.26 -4.97 118.33 117.20 2ksy n VAL 2 Ca 0.00 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.31 2ksy n VAL 2 Cb 0.00 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 32.63 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 -0.42 -1.01 0.17 7.55 0.00 -1.26 -4.25 105.19 105.97 2ksy n GLY 3 Ca 0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 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 0.51 -1.78 0.99 5.85 -2.01 -3.15 115.31 115.71 2ksy h LEU 4 Ca -0.43 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 57.92 2ksy h LEU 4 Cb 2.06 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.94 2ksy h LEU 4 CO 0.04 1.11 -0.05 0.71 -0.34 0.00 0.00 178.44 179.91 2ksy h THR 5 N 0.27 1.07 -0.66 1.05 1.35 -1.88 -2.23 112.91 111.88 2ksy h THR 5 Ca -0.04 -0.31 0.03 0.00 -0.55 0.00 0.00 66.41 65.54 2ksy h THR 5 Cb 1.38 1.09 -0.04 0.00 -1.73 0.00 0.00 68.15 68.86 2ksy h THR 5 CO 0.14 0.09 0.43 0.71 -0.25 0.00 0.00 175.52 176.65 2ksy h THR 6 N 0.07 1.10 0.01 6.82 1.35 -1.72 -2.51 112.91 118.03 2ksy h THR 6 Ca 0.02 -0.27 0.02 0.00 -0.55 0.00 0.00 66.41 65.63 2ksy h THR 6 Cb 0.14 0.23 -0.03 0.00 -1.73 0.00 0.00 68.15 66.77 2ksy h THR 6 CO 0.01 0.15 -0.14 -0.07 -0.25 0.00 0.00 175.52 175.21 2ksy h LEU 7 N 0.80 -0.40 -1.22 3.87 -0.00 -1.54 0.06 115.31 116.87 2ksy h LEU 7 Ca 0.26 0.06 0.05 0.00 -0.00 0.00 0.00 57.88 58.25 2ksy h LEU 7 Cb 0.05 0.17 -0.05 0.00 -0.00 0.00 0.00 40.66 40.83 2ksy h LEU 7 CO -0.07 -0.19 0.55 -0.26 -0.00 0.00 0.00 178.44 178.46 2ksy h PHE 8 N -0.23 0.96 -0.67 1.13 0.04 -1.57 -1.36 116.94 115.24 2ksy h PHE 8 Ca 0.05 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.81 2ksy h PHE 8 Cb 0.29 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 2ksy h PHE 8 CO -0.19 0.53 0.28 -1.49 -0.60 0.00 0.00 178.31 176.84 2ksy h TRP 9 N 0.97 1.01 -0.62 -0.55 -0.00 -0.93 -1.90 115.95 113.92 2ksy h TRP 9 Ca 0.35 -0.07 0.01 0.00 -0.00 0.00 0.00 58.89 59.18 2ksy h TRP 9 Cb 0.13 -0.30 -0.03 0.00 -0.00 0.00 0.00 29.16 28.96 2ksy h TRP 9 CO -0.00 0.78 0.41 -0.07 -0.00 0.00 0.00 178.44 179.56 2ksy h LEU 10 N 0.94 0.70 -1.49 -4.49 3.38 0.05 -1.56 115.31 112.85 2ksy h LEU 10 Ca 0.23 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2ksy h LEU 10 Cb 0.18 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2ksy h LEU 10 CO -0.02 0.50 0.17 1.23 0.09 0.00 0.00 178.44 180.41 2ksy h GLY 11 N 0.83 0.54 1.89 0.83 0.00 -0.91 -1.27 103.07 104.98 2ksy h GLY 11 Ca 0.23 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2ksy h GLY 11 CO -0.06 0.23 -0.32 0.00 0.00 0.00 0.00 176.54 176.40 2ksy h ALA 12 N 1.68 1.35 -0.16 3.60 0.00 -0.52 -2.27 119.26 122.94 2ksy h ALA 12 Ca 0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2ksy h ALA 12 Cb 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2ksy h ALA 12 CO -0.02 0.46 0.00 0.82 0.00 0.00 0.00 179.25 180.52 2ksy h ILE 13 N 0.12 1.25 -0.91 0.00 2.04 -0.60 -1.61 117.51 117.79 2ksy h ILE 13 Ca 0.02 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 2ksy h ILE 13 Cb 0.62 1.49 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 2ksy h ILE 13 CO 0.05 0.24 0.57 1.23 0.00 0.00 0.00 178.15 180.23 2ksy h GLY 14 N 0.02 1.32 1.03 5.37 0.00 -1.29 -2.30 103.07 107.22 2ksy h GLY 14 Ca 0.04 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 46.80 2ksy h GLY 14 CO 0.01 0.52 0.26 -0.33 0.00 0.00 0.00 176.54 176.99 2ksy h MET 15 N 1.26 1.07 -0.15 4.80 2.86 -1.28 -2.33 114.93 121.16 2ksy h MET 15 Ca 0.33 -0.21 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 2ksy h MET 15 Cb -0.08 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.38 2ksy h MET 15 CO -0.06 0.90 -0.08 1.25 1.06 0.00 0.00 176.91 179.97 2ksy h LEU 16 N 1.01 -0.26 -0.38 1.22 7.12 -0.74 0.23 115.31 123.51 2ksy h LEU 16 Ca 0.23 0.06 0.01 0.00 0.13 0.00 0.00 57.88 58.31 2ksy h LEU 16 Cb 0.25 0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.50 2ksy h LEU 16 CO -0.01 -0.11 0.24 0.58 -0.13 0.00 0.00 178.44 179.00 2ksy h VAL 17 N -0.07 1.07 -0.11 1.05 2.07 -1.33 -2.39 116.25 116.53 2ksy h VAL 17 Ca 0.08 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2ksy h VAL 17 Cb 0.20 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2ksy h VAL 17 CO -0.19 0.09 0.04 1.23 0.02 0.00 0.00 177.57 178.75 2ksy h GLY 18 N 0.48 0.19 0.06 2.17 0.00 -1.07 -1.33 103.07 103.58 2ksy h GLY 18 Ca 0.14 -0.11 0.16 0.00 0.00 0.00 0.00 47.33 47.52 2ksy h GLY 18 CO -0.05 0.10 0.30 -0.84 0.00 0.00 0.00 176.54 176.06 2ksy h THR 19 N 0.00 0.61 -0.22 4.70 2.02 -0.42 0.17 112.91 119.77 2ksy h THR 19 Ca 0.04 -0.14 -0.20 0.00 0.77 0.00 0.00 66.41 66.87 2ksy h THR 19 Cb 0.21 0.15 0.01 0.00 -1.74 0.00 0.00 68.15 66.78 2ksy h THR 19 CO -0.00 0.08 -0.65 -0.07 0.37 0.00 0.00 175.52 175.25 2ksy h LEU 20 N 0.42 0.95 -1.35 2.58 3.38 -1.32 -1.51 115.31 118.45 2ksy h LEU 20 Ca 0.44 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2ksy h LEU 20 Cb 0.71 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2ksy h LEU 20 CO -0.44 1.36 0.02 0.00 0.09 0.00 0.00 178.44 179.48 2ksy h ALA 21 N 0.61 1.48 0.07 1.53 0.00 -0.03 -0.27 119.26 122.64 2ksy h ALA 21 Ca -0.02 -0.16 -0.30 0.00 0.00 0.00 0.00 54.91 54.43 2ksy h ALA 21 Cb 1.27 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2ksy h ALA 21 CO 0.14 0.38 -1.57 0.74 0.00 0.00 0.00 179.25 178.94 2ksy h PHE 22 N 0.44 0.26 0.02 0.00 0.04 -1.02 -3.23 116.94 113.45 2ksy h PHE 22 Ca 0.10 -0.19 -0.00 0.00 2.80 0.00 0.00 57.97 60.68 2ksy h PHE 22 Cb 0.26 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.40 2ksy h PHE 22 CO 0.01 1.26 -0.01 0.00 -0.60 0.00 0.00 178.31 178.97 2ksy h ALA 23 N 0.67 -0.03 -0.38 2.45 0.00 -1.11 -1.86 119.26 119.00 2ksy h ALA 23 Ca -0.24 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.36 2ksy h ALA 23 Cb 1.98 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.76 2ksy h ALA 23 CO 0.12 -0.18 0.22 2.35 0.00 0.00 0.00 179.25 181.76 2ksy h TRP 24 N -0.71 0.40 0.00 0.00 2.91 -1.23 -1.36 115.95 115.96 2ksy h TRP 24 Ca -0.00 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.02 2ksy h TRP 24 Cb 0.66 -0.13 -0.00 0.00 -0.51 0.00 0.00 29.16 29.18 2ksy h TRP 24 CO 0.15 0.23 -0.06 0.00 -1.03 0.00 0.00 178.44 177.73 2ksy h ALA 25 N 1.17 1.01 -0.11 2.65 0.00 -1.66 -3.06 119.26 119.25 2ksy h ALA 25 Ca 0.15 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 2ksy h ALA 25 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2ksy h ALA 25 CO -0.07 0.08 -0.77 0.78 0.00 0.00 0.00 179.25 179.26 2ksy h GLY 26 N 2.25 0.68 1.23 0.00 0.00 -0.39 -2.63 103.07 104.21 2ksy h GLY 26 Ca -0.00 -0.98 -0.18 0.00 0.00 0.00 0.00 47.33 46.17 2ksy h GLY 26 CO 0.01 0.87 -0.53 3.21 0.00 0.00 0.00 176.54 180.10 2ksy h ARG 27 N 0.42 0.81 0.00 4.80 2.47 -1.29 -2.78 114.38 118.81 2ksy h ARG 27 Ca -0.05 -0.50 0.00 0.00 -1.26 0.00 0.00 59.98 58.17 2ksy h ARG 27 Cb 1.38 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.75 2ksy h ARG 27 CO 0.15 1.13 0.00 -3.47 0.56 0.00 0.00 179.97 178.34 2ksy n ASP 28 N -4.00 0.00 -2.58 7.04 2.03 -1.17 -4.83 116.55 113.03 2ksy n ASP 28 Ca -0.04 -0.34 -0.06 0.00 0.52 0.00 0.00 54.79 54.87 2ksy n ASP 28 Cb 0.61 -0.20 0.05 0.00 -0.72 0.00 0.00 41.12 40.85 2ksy n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ksy n ALA 29 N -1.20 -0.53 -3.04 -1.67 0.00 -0.99 -5.09 120.51 107.99 2ksy n ALA 29 Ca 0.16 -0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.16 2ksy n ALA 29 Cb 0.19 -0.02 0.03 0.00 0.00 0.00 0.00 19.45 19.65 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 1.90 1.97 3.69 0.00 0.00 -1.26 -5.04 105.19 106.44 2ksy n GLY 30 Ca 0.03 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 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 -2.65 7.20 0.00 1.61 1.04 -1.26 -3.90 113.70 115.74 2ksy s SER 31 Ca 0.28 1.47 0.00 0.00 0.48 0.00 0.00 55.95 58.18 2ksy s SER 31 Cb -0.02 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2ksy s SER 31 CO 0.18 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.64 2ksy n GLY 32 N 3.11 2.72 0.33 7.32 0.00 -1.26 -4.82 105.19 112.59 2ksy n GLY 32 Ca 0.06 -0.79 0.21 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.08 1.61 4.39 -2.00 -2.64 114.58 114.86 2ksy h GLU 33 Ca 0.00 0.00 0.29 0.00 0.34 0.00 0.00 59.36 59.99 2ksy h GLU 33 Cb 0.00 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.56 2ksy h GLU 33 CO 0.00 0.00 0.71 -0.09 -1.16 0.00 0.00 179.01 178.48 2ksy h ARG 34 N 0.00 0.28 0.13 2.33 2.43 -1.88 -1.14 114.38 116.53 2ksy h ARG 34 Ca -0.00 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2ksy h ARG 34 Cb 0.03 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 2ksy h ARG 34 CO 0.00 0.19 -0.28 0.00 -1.51 0.00 0.00 179.97 178.37 2ksy h ARG 35 N 0.29 -0.48 -0.03 0.20 3.08 -1.85 -0.10 114.38 115.50 2ksy h ARG 35 Ca 0.60 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.69 2ksy h ARG 35 Cb 1.72 0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.88 2ksy h ARG 35 CO -0.24 -0.32 0.02 1.88 -1.07 0.00 0.00 179.97 180.24 2ksy h TYR 36 N -0.50 0.00 0.10 3.04 -1.99 -1.44 -1.86 116.97 114.32 2ksy h TYR 36 Ca 0.03 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.75 2ksy h TYR 36 Cb 0.52 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.26 2ksy h TYR 36 CO -0.25 0.00 -0.05 1.88 -0.00 0.00 0.00 178.16 179.74 2ksy h TYR 37 N 0.00 -0.12 -0.95 4.88 0.05 -1.03 -1.92 116.97 117.88 2ksy h TYR 37 Ca 0.01 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.85 2ksy h TYR 37 Cb 0.05 0.04 -0.06 0.00 1.01 0.00 0.00 36.73 37.77 2ksy h TYR 37 CO 0.00 0.38 0.62 0.28 -1.05 0.00 0.00 178.16 178.39 2ksy h VAL 38 N -0.73 1.10 0.08 -2.88 2.07 -0.76 -0.25 116.25 114.87 2ksy h VAL 38 Ca -0.01 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2ksy h VAL 38 Cb 0.56 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2ksy h VAL 38 CO 0.02 0.20 -0.04 0.74 0.02 0.00 0.00 177.57 178.52 2ksy h THR 39 N 1.12 1.01 -0.10 2.57 2.02 -1.38 -0.13 112.91 118.02 2ksy h THR 39 Ca 0.40 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 67.29 2ksy h THR 39 Cb 0.14 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 2ksy h THR 39 CO -0.15 0.08 -0.04 0.25 0.37 0.00 0.00 175.52 176.03 2ksy h LEU 40 N -0.25 -0.14 -1.51 2.58 5.85 -0.84 -1.45 115.31 119.56 2ksy h LEU 40 Ca -0.01 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.78 2ksy h LEU 40 Cb 0.21 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 2ksy h LEU 40 CO 0.02 -0.06 0.36 0.58 -0.34 0.00 0.00 178.44 179.00 2ksy h VAL 41 N -0.02 1.07 -0.97 1.05 2.07 -1.01 -1.70 116.25 116.74 2ksy h VAL 41 Ca 0.06 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.38 2ksy h VAL 41 Cb 0.11 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 2ksy h VAL 41 CO -0.12 0.12 0.64 1.23 0.02 0.00 0.00 177.57 179.45 2ksy h GLY 42 N 0.64 1.39 0.77 2.17 0.00 0.06 -0.83 103.07 107.27 2ksy h GLY 42 Ca 0.22 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2ksy h GLY 42 CO -0.06 0.45 -0.21 -2.22 0.00 0.00 0.00 176.54 174.50 2ksy h ILE 43 N 1.26 0.53 -0.09 2.60 2.04 -0.87 -1.52 117.51 121.45 2ksy h ILE 43 Ca 0.37 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.87 2ksy h ILE 43 Cb -0.05 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2ksy h ILE 43 CO -0.10 0.06 0.13 0.28 0.00 0.00 0.00 178.15 178.52 2ksy h SER 44 N -0.82 0.00 0.06 1.72 0.02 -1.34 -1.54 113.55 111.64 2ksy h SER 44 Ca -0.06 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2ksy h SER 44 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2ksy h SER 44 CO 0.10 0.00 -0.03 1.23 -1.14 0.00 0.00 176.83 176.99 2ksy h GLY 45 N 0.00 -0.08 1.22 -3.77 0.00 -0.87 -2.64 103.07 96.93 2ksy h GLY 45 Ca 0.04 0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.45 2ksy h GLY 45 CO -0.00 -0.03 0.41 0.16 0.00 0.00 0.00 176.54 177.08 2ksy h ILE 46 N -0.99 1.04 -0.17 2.60 3.07 -1.04 -2.22 117.51 119.81 2ksy h ILE 46 Ca -0.01 -0.23 -0.04 0.00 1.55 0.00 0.00 64.86 66.13 2ksy h ILE 46 Cb 0.40 0.31 -0.01 0.00 -0.27 0.00 0.00 36.82 37.25 2ksy h ILE 46 CO 0.01 0.12 -0.05 0.00 -1.05 0.00 0.00 178.15 177.19 2ksy h ALA 47 N 1.65 0.24 -0.96 0.16 0.00 -1.40 -2.55 119.26 116.39 2ksy h ALA 47 Ca 0.26 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 55.03 2ksy h ALA 47 Cb 0.17 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 2ksy h ALA 47 CO -0.08 0.01 0.59 0.00 0.00 0.00 0.00 179.25 179.78 2ksy h ALA 48 N 0.72 1.43 -0.08 0.00 0.00 -1.02 -1.19 119.26 119.11 2ksy h ALA 48 Ca 0.04 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 2ksy h ALA 48 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2ksy h ALA 48 CO 0.02 0.21 -0.70 -0.39 0.00 0.00 0.00 179.25 178.39 2ksy h VAL 49 N 0.96 1.38 -0.52 0.00 -1.51 -1.45 -2.06 116.25 113.05 2ksy h VAL 49 Ca 0.47 -2.10 -0.09 0.00 -1.23 0.00 0.00 66.70 63.76 2ksy h VAL 49 Cb 0.44 2.07 -0.02 0.00 -2.13 0.00 0.00 31.29 31.65 2ksy h VAL 49 CO -0.26 0.63 -0.03 0.00 -1.23 0.00 0.00 177.57 176.68 2ksy h ALA 50 N 0.98 0.97 0.00 5.19 0.00 -0.89 -0.66 119.26 124.86 2ksy h ALA 50 Ca -0.02 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 2ksy h ALA 50 Cb 1.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2ksy h ALA 50 CO 0.12 0.62 -0.54 1.88 0.00 0.00 0.00 179.25 181.32 2ksy h TYR 51 N 0.82 0.00 -0.20 0.00 0.05 -1.21 -1.85 116.97 114.59 2ksy h TYR 51 Ca 0.15 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.73 2ksy h TYR 51 Cb 0.54 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.28 2ksy h TYR 51 CO 0.03 0.54 -0.66 0.00 -1.05 0.00 0.00 178.16 177.03 2ksy h ALA 52 N 1.46 0.45 -0.03 3.88 0.00 -0.84 -2.12 119.26 122.05 2ksy h ALA 52 Ca -0.01 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 2ksy h ALA 52 Cb 1.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2ksy h ALA 52 CO 0.07 0.69 -0.21 -0.39 0.00 0.00 0.00 179.25 179.41 2ksy h VAL 53 N 0.55 1.49 -0.73 0.00 -1.51 -1.06 -3.10 116.25 111.89 2ksy h VAL 53 Ca -0.02 -1.74 0.06 0.00 -1.23 0.00 0.00 66.70 63.78 2ksy h VAL 53 Cb 1.26 2.52 -0.04 0.00 -2.13 0.00 0.00 31.29 32.90 2ksy h VAL 53 CO 0.14 0.48 0.48 0.24 -1.23 0.00 0.00 177.57 177.67 2ksy h MET 54 N -0.39 0.76 0.00 5.19 2.07 -1.41 0.17 114.93 121.31 2ksy h MET 54 Ca -0.02 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.57 2ksy h MET 54 Cb 0.89 -0.17 0.00 0.00 -1.87 0.00 0.00 31.60 30.45 2ksy h MET 54 CO 0.04 0.50 0.00 0.00 1.07 0.00 0.00 176.91 178.53 2ksy n ALA 55 N -2.44 1.59 1.07 6.32 0.00 -0.80 -2.06 120.51 124.19 2ksy n ALA 55 Ca 0.10 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.67 2ksy n ALA 55 Cb 0.21 -1.27 0.11 0.00 0.00 0.00 0.00 19.45 18.49 2ksy n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ksy n LEU 56 N -1.77 1.90 0.00 0.00 4.77 0.57 -4.83 117.00 117.64 2ksy n LEU 56 Ca 0.03 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 2ksy n LEU 56 Cb 0.17 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2ksy n LEU 56 CO 0.14 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2ksy n GLY 57 N 1.39 2.92 3.68 -0.72 0.00 -0.88 -5.08 105.19 106.51 2ksy n GLY 57 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.67 2.27 0.00 1.61 -7.23 -1.22 -2.53 120.40 110.64 2ksy s VAL 58 Ca 0.00 0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.26 2ksy s VAL 58 Cb 0.00 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.75 2ksy s VAL 58 CO 0.00 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 2ksy n GLY 59 N -0.01 2.66 3.58 2.32 0.00 -1.26 -4.41 105.19 108.08 2ksy n GLY 59 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.43 1.79 -0.27 1.61 0.52 -1.05 -1.00 118.94 120.11 2ksy s TRP 60 Ca 0.00 0.87 -0.19 0.00 0.02 0.00 0.00 56.10 56.80 2ksy s TRP 60 Cb 0.00 -3.85 -0.02 0.00 -1.15 0.00 0.00 33.47 28.45 2ksy s TRP 60 CO 0.00 -1.07 0.59 0.54 0.02 0.00 0.00 176.95 177.02 2ksy s VAL 61 N 12.37 5.00 0.02 4.03 0.11 0.11 -4.90 120.40 137.15 2ksy s VAL 61 Ca 0.71 0.97 -0.30 0.00 -2.93 0.00 0.00 61.98 60.43 2ksy s VAL 61 Cb -0.02 -3.91 -0.09 0.00 -1.53 0.00 0.00 36.38 30.84 2ksy s VAL 61 CO 0.15 0.01 1.97 -2.84 -3.33 0.00 0.00 175.10 171.05 2ksy s PRO 62 N 2.46 4.09 -0.38 1.54 0.02 -1.26 -2.44 135.00 139.02 2ksy s PRO 62 Ca 0.24 2.57 0.01 0.00 0.02 0.00 0.00 61.00 63.84 2ksy s PRO 62 Cb -0.15 -4.17 0.11 0.00 0.02 0.00 0.00 34.50 30.30 2ksy s PRO 62 CO 0.09 -1.02 0.12 0.08 -0.33 0.00 0.00 177.00 175.95 2ksy s VAL 63 N 4.66 2.70 0.00 3.83 1.01 0.49 -4.96 120.40 128.14 2ksy s VAL 63 Ca 0.89 -2.27 0.00 0.00 0.00 0.00 0.00 61.98 60.59 2ksy s VAL 63 Cb -0.42 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2ksy s VAL 63 CO 0.41 -0.65 0.00 0.00 0.00 0.00 0.00 175.10 174.86 2ksy n ALA 64 N 4.34 0.00 0.00 5.51 0.00 -1.26 -0.81 120.51 128.29 2ksy n ALA 64 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2ksy n ALA 64 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 2.44 -3.18 0.00 -0.58 -1.26 -5.07 120.64 112.99 2ksy n GLU 65 Ca 0.00 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 2ksy n GLU 65 Cb 0.00 -0.83 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 2ksy n GLU 65 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2ksy s ARG 66 N -1.55 3.12 -0.11 3.49 1.70 0.01 -5.11 118.95 120.50 2ksy s ARG 66 Ca 0.00 -0.63 0.01 0.00 -0.47 0.00 0.00 55.73 54.64 2ksy s ARG 66 Cb 0.00 -2.65 -0.02 0.00 -0.57 0.00 0.00 34.95 31.72 2ksy s ARG 66 CO 0.00 -0.13 -0.15 0.99 -1.08 0.00 0.00 175.30 174.93 2ksy s THR 67 N -2.42 2.91 0.05 4.99 2.01 -1.26 -0.37 115.64 121.55 2ksy s THR 67 Ca 0.46 -0.73 0.08 0.00 0.31 0.00 0.00 61.69 61.81 2ksy s THR 67 Cb -0.10 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 2ksy s THR 67 CO 0.36 0.54 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.94 2ksy s VAL 68 N 0.13 2.70 -0.27 3.82 1.01 -1.02 -4.94 120.40 121.83 2ksy s VAL 68 Ca -0.07 -1.27 -0.10 0.00 0.00 0.00 0.00 61.98 60.54 2ksy s VAL 68 Cb -0.15 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 2ksy s VAL 68 CO 0.05 0.30 0.15 -0.36 0.00 0.00 0.00 175.10 175.25 2ksy s PHE 69 N -0.94 3.18 0.22 5.22 0.08 -1.25 -0.71 117.98 123.78 2ksy s PHE 69 Ca 0.15 -0.08 -0.01 0.00 0.12 0.00 0.00 56.93 57.11 2ksy s PHE 69 Cb -0.10 -2.34 0.22 0.00 -0.57 0.00 0.00 43.02 40.23 2ksy s PHE 69 CO 0.05 -0.24 1.59 -0.39 -0.10 0.00 0.00 175.22 176.14 2ksy h VAL 70 N 5.44 1.30 0.00 -0.44 -1.51 -1.39 -3.16 116.25 116.49 2ksy h VAL 70 Ca -0.36 -1.60 0.00 0.00 -1.23 0.00 0.00 66.70 63.51 2ksy h VAL 70 Cb 1.18 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.94 2ksy h VAL 70 CO 0.56 0.50 0.00 -0.65 -1.23 0.00 0.00 177.57 176.75 2ksy h PRO 71 N 0.43 0.00 0.27 5.19 0.11 -1.89 -2.40 132.00 133.71 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 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2ksy h PRO 71 CO 0.08 0.00 -0.13 -0.09 -0.21 0.00 0.00 178.00 177.65 2ksy h ARG 72 N 0.00 -0.35 -0.13 1.05 2.43 -1.91 0.24 114.38 115.71 2ksy h ARG 72 Ca 0.00 0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 58.99 2ksy h ARG 72 Cb 0.52 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2ksy h ARG 72 CO 0.00 -0.08 -0.73 1.88 -1.51 0.00 0.00 179.97 179.53 2ksy h TYR 73 N -0.60 0.80 -0.74 2.20 -1.99 -1.69 -2.47 116.97 112.49 2ksy h TYR 73 Ca -0.04 -0.35 -0.06 0.00 2.00 0.00 0.00 58.73 60.28 2ksy h TYR 73 Cb 0.43 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 39.00 2ksy h TYR 73 CO 0.00 1.14 0.22 0.97 -0.00 0.00 0.00 178.16 180.49 2ksy h ILE 74 N 0.42 1.26 -0.36 -2.88 -0.00 -1.44 -1.50 117.51 113.01 2ksy h ILE 74 Ca -0.04 -0.92 -0.05 0.00 -0.00 0.00 0.00 64.86 63.85 2ksy h ILE 74 Cb 1.33 0.45 -0.02 0.00 -0.00 0.00 0.00 36.82 38.58 2ksy h ILE 74 CO 0.14 0.36 0.01 -0.78 -0.00 0.00 0.00 178.15 177.88 2ksy h ASP 75 N 1.11 0.53 0.38 2.19 3.58 -0.46 -0.93 116.42 122.82 2ksy h ASP 75 Ca 0.24 -0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 2ksy h ASP 75 Cb 0.32 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 2ksy h ASP 75 CO -0.01 0.59 -0.26 -0.50 -2.88 0.00 0.00 179.24 176.19 2ksy h TRP 76 N 0.54 0.00 0.00 0.28 6.55 -0.84 0.56 115.95 123.04 2ksy h TRP 76 Ca 0.12 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.81 2ksy h TRP 76 Cb 0.34 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.62 2ksy h TRP 76 CO 0.01 0.26 -0.69 0.82 -1.05 0.00 0.00 178.44 177.79 2ksy h ILE 77 N 0.00 1.37 0.00 1.49 2.04 -0.23 0.20 117.51 122.38 2ksy h ILE 77 Ca -0.00 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.37 2ksy h ILE 77 Cb 0.52 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 2ksy h ILE 77 CO 0.03 0.68 -1.06 0.18 0.00 0.00 0.00 178.15 177.99 2ksy n LEU 78 N -3.53 0.70 -0.11 1.44 4.77 -0.70 -4.31 117.00 115.27 2ksy n LEU 78 Ca -0.00 0.22 -0.22 0.00 -0.03 0.00 0.00 56.01 55.98 2ksy n LEU 78 Cb 0.72 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.66 2ksy n LEU 78 CO 0.43 -0.11 -1.19 0.35 -1.33 0.00 0.00 177.39 175.54 2ksy n THR 79 N -2.43 1.23 0.02 -5.08 -2.24 0.19 -4.33 114.28 101.65 2ksy n THR 79 Ca 0.00 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.41 2ksy n THR 79 Cb 0.52 -1.84 -0.05 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 -0.79 0.29 -0.02 4.28 2.02 -0.80 0.16 112.91 118.05 2ksy h THR 80 Ca -0.51 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.68 2ksy h THR 80 Cb 1.42 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2ksy h THR 80 CO -0.31 0.00 0.07 -0.65 0.37 0.00 0.00 175.52 175.00 2ksy h PRO 81 N -0.43 0.00 0.02 6.66 0.11 -1.75 -0.88 132.00 135.73 2ksy h PRO 81 Ca 0.08 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.01 2ksy h PRO 81 Cb 0.55 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.68 2ksy h PRO 81 CO -0.32 0.00 -0.72 1.25 -0.21 0.00 0.00 178.00 178.00 2ksy h LEU 82 N 0.00 0.60 0.20 2.35 7.12 -0.98 -2.23 115.31 122.37 2ksy h LEU 82 Ca 0.01 -0.78 -0.01 0.00 0.13 0.00 0.00 57.88 57.23 2ksy h LEU 82 Cb 0.15 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.10 2ksy h LEU 82 CO -0.00 1.31 -0.09 0.40 -0.13 0.00 0.00 178.44 179.92 2ksy h ILE 83 N -0.03 0.88 -0.51 4.05 1.08 0.38 -1.76 117.51 121.59 2ksy h ILE 83 Ca -0.10 -0.38 0.06 0.00 -0.39 0.00 0.00 64.86 64.05 2ksy h ILE 83 Cb 1.43 1.11 -0.03 0.00 -3.07 0.00 0.00 36.82 36.26 2ksy h ILE 83 CO 0.14 0.09 0.34 -0.37 -0.69 0.00 0.00 178.15 177.66 2ksy h VAL 84 N -0.45 0.99 -0.54 1.67 -1.51 -1.45 0.14 116.25 115.09 2ksy h VAL 84 Ca -0.03 -0.16 -0.02 0.00 -1.23 0.00 0.00 66.70 65.26 2ksy h VAL 84 Cb 0.35 0.48 -0.03 0.00 -2.13 0.00 0.00 31.29 29.96 2ksy h VAL 84 CO 0.04 0.09 0.23 0.22 -1.23 0.00 0.00 177.57 176.92 2ksy h TYR 85 N 0.47 0.76 -0.10 5.19 3.20 -0.99 -1.99 116.97 123.50 2ksy h TYR 85 Ca 0.22 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.06 2ksy h TYR 85 Cb 0.27 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2ksy h TYR 85 CO -0.00 0.58 0.06 0.35 -1.64 0.00 0.00 178.16 177.51 2ksy h PHE 86 N 0.76 0.10 -0.86 -3.82 3.04 0.15 -0.77 116.94 115.54 2ksy h PHE 86 Ca 0.19 0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.21 2ksy h PHE 86 Cb 0.12 -0.03 -0.07 0.00 2.56 0.00 0.00 35.95 38.54 2ksy h PHE 86 CO 0.01 0.06 0.52 -0.07 -2.02 0.00 0.00 178.31 176.81 2ksy h LEU 87 N 0.12 0.80 -1.49 0.59 -0.00 -1.11 -0.46 115.31 113.76 2ksy h LEU 87 Ca 0.04 0.03 -0.05 0.00 -0.00 0.00 0.00 57.88 57.89 2ksy h LEU 87 Cb -0.00 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 40.52 2ksy h LEU 87 CO -0.02 0.49 -0.26 1.23 -0.00 0.00 0.00 178.44 179.88 2ksy h GLY 88 N 0.92 0.00 1.74 0.83 0.00 -0.81 -2.49 103.07 103.26 2ksy h GLY 88 Ca 0.39 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.58 2ksy h GLY 88 CO -0.20 0.00 -0.54 1.41 0.00 0.00 0.00 176.54 177.21 2ksy h LEU 89 N 0.00 0.30 -0.60 3.11 3.38 0.38 0.11 115.31 122.00 2ksy h LEU 89 Ca -0.00 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.66 2ksy h LEU 89 Cb 0.53 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2ksy h LEU 89 CO 0.03 0.79 -0.69 -0.07 0.09 0.00 0.00 178.44 178.59 2ksy h LEU 90 N 0.21 0.09 0.00 1.67 3.38 -1.00 -3.23 115.31 116.44 2ksy h LEU 90 Ca 0.00 -0.06 -0.24 0.00 0.09 0.00 0.00 57.88 57.67 2ksy h LEU 90 Cb 1.02 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 2ksy h LEU 90 CO 0.09 0.75 -1.48 0.00 0.09 0.00 0.00 178.44 177.88 2ksy h ALA 91 N 1.25 0.69 -2.72 1.53 0.00 -1.35 -3.42 119.26 115.24 2ksy h ALA 91 Ca -0.01 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.72 2ksy h ALA 91 Cb 1.22 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2ksy h ALA 91 CO 0.10 1.32 0.00 0.41 0.00 0.00 0.00 179.25 181.07 2ksy n GLY 92 N 1.47 0.83 3.77 0.00 0.00 0.37 -4.17 105.19 107.45 2ksy n GLY 92 Ca -0.12 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.72 1.72 0.44 0.99 1.43 -1.02 -5.07 118.68 114.46 2ksy s LEU 93 Ca 0.00 0.46 0.08 0.00 -1.03 0.00 0.00 54.13 53.64 2ksy s LEU 93 Cb 0.00 -2.35 0.01 0.00 0.03 0.00 0.00 46.19 43.88 2ksy s LEU 93 CO 0.00 -3.40 0.54 -1.81 0.23 0.00 0.00 176.35 171.91 2ksy s ASP 94 N -4.40 5.40 0.35 2.29 1.11 -1.26 -4.95 116.67 115.21 2ksy s ASP 94 Ca 0.72 -0.58 0.05 0.00 0.18 0.00 0.00 52.55 52.92 2ksy s ASP 94 Cb -0.07 -0.49 0.69 0.00 1.07 0.00 0.00 42.92 44.12 2ksy s ASP 94 CO 0.54 -0.81 1.94 -1.28 1.18 0.00 0.00 175.17 176.74 2ksy h SER 95 N 0.69 0.73 -0.03 0.27 0.87 -2.00 -1.77 113.55 112.31 2ksy h SER 95 Ca -0.39 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.13 2ksy h SER 95 Cb 1.28 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2ksy h SER 95 CO 0.48 0.47 -0.15 0.08 -0.53 0.00 0.00 176.83 177.18 2ksy h ARG 96 N 0.82 0.15 -0.63 2.24 0.11 -1.99 -2.97 114.38 112.11 2ksy h ARG 96 Ca 0.34 -0.12 0.10 0.00 0.10 0.00 0.00 59.98 60.40 2ksy h ARG 96 Cb 0.26 0.03 -0.08 0.00 1.11 0.00 0.00 29.97 31.29 2ksy h ARG 96 CO -0.12 0.79 0.22 0.93 0.10 0.00 0.00 179.97 181.89 2ksy h GLU 97 N -0.45 0.38 -0.09 0.08 5.08 -1.86 -1.77 114.58 115.95 2ksy h GLU 97 Ca -0.01 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2ksy h GLU 97 Cb 0.82 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2ksy h GLU 97 CO 0.03 0.25 0.03 0.74 -1.00 0.00 0.00 179.01 179.06 2ksy h PHE 98 N 0.39 0.05 -0.34 4.33 0.04 -1.40 -2.05 116.94 117.96 2ksy h PHE 98 Ca 0.32 0.00 0.10 0.00 2.80 0.00 0.00 57.97 61.20 2ksy h PHE 98 Cb 0.43 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 2ksy h PHE 98 CO -0.18 0.02 0.29 0.78 -0.60 0.00 0.00 178.31 178.62 2ksy h GLY 99 N 0.07 0.00 0.39 -1.45 0.00 -1.17 -0.40 103.07 100.51 2ksy h GLY 99 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 2ksy h GLY 99 CO -0.04 0.00 -0.08 -2.22 0.00 0.00 0.00 176.54 174.20 2ksy h ILE 100 N 0.00 1.52 -0.09 2.60 2.04 -0.72 -1.91 117.51 120.95 2ksy h ILE 100 Ca 0.16 -1.66 -0.13 0.00 1.00 0.00 0.00 64.86 64.24 2ksy h ILE 100 Cb 0.73 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.39 2ksy h ILE 100 CO -0.00 0.44 -0.51 -0.37 0.00 0.00 0.00 178.15 177.70 2ksy h VAL 101 N -0.57 1.35 -0.04 1.67 -1.51 -1.09 -2.54 116.25 113.51 2ksy h VAL 101 Ca -0.01 -1.77 -0.18 0.00 -1.23 0.00 0.00 66.70 63.52 2ksy h VAL 101 Cb 0.76 1.86 0.01 0.00 -2.13 0.00 0.00 31.29 31.79 2ksy h VAL 101 CO 0.02 0.53 -0.66 0.40 -1.23 0.00 0.00 177.57 176.62 2ksy h ILE 102 N 0.18 1.37 -0.31 7.19 1.08 -1.18 -2.84 117.51 123.00 2ksy h ILE 102 Ca 0.01 -2.02 -0.04 0.00 -0.39 0.00 0.00 64.86 62.41 2ksy h ILE 102 Cb 0.97 2.39 -0.02 0.00 -3.07 0.00 0.00 36.82 37.10 2ksy h ILE 102 CO 0.08 0.60 0.01 0.00 -0.69 0.00 0.00 178.15 178.15 2ksy h THR 103 N 0.10 1.18 0.66 -0.27 1.03 -1.35 -1.98 112.91 112.27 2ksy h THR 103 Ca -0.07 -0.71 -0.03 0.00 -0.01 0.00 0.00 66.41 65.59 2ksy h THR 103 Cb 1.33 0.93 0.01 0.00 -1.07 0.00 0.00 68.15 69.35 2ksy h THR 103 CO 0.13 0.24 -0.32 0.25 -0.01 0.00 0.00 175.52 175.82 2ksy h LEU 104 N 0.46 -0.75 -2.16 0.00 5.85 -1.45 -2.36 115.31 114.90 2ksy h LEU 104 Ca 0.10 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.89 2ksy h LEU 104 Cb 0.29 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2ksy h LEU 104 CO 0.01 -0.48 0.25 0.78 -0.34 0.00 0.00 178.44 178.66 2ksy h ASN 105 N -0.98 0.00 0.61 1.25 -0.26 -1.32 -2.03 115.58 112.86 2ksy h ASN 105 Ca -0.09 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.62 2ksy h ASN 105 Cb 0.71 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.97 2ksy h ASN 105 CO 0.15 0.00 -0.29 0.74 -1.06 0.00 0.00 177.43 176.96 2ksy h THR 106 N 0.00 0.29 -0.51 2.81 2.02 -0.83 -0.19 112.91 116.50 2ksy h THR 106 Ca 0.11 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 2ksy h THR 106 Cb 0.62 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 2ksy h THR 106 CO -0.00 0.03 0.20 1.62 0.37 0.00 0.00 175.52 177.74 2ksy h VAL 107 N -1.03 1.19 0.61 3.16 3.04 -1.16 -1.40 116.25 120.66 2ksy h VAL 107 Ca -0.08 -0.58 -0.03 0.00 -1.01 0.00 0.00 66.70 64.99 2ksy h VAL 107 Cb 0.68 0.59 0.01 0.00 -2.01 0.00 0.00 31.29 30.55 2ksy h VAL 107 CO 0.14 0.23 -0.29 0.58 -1.01 0.00 0.00 177.57 177.21 2ksy h VAL 108 N 0.72 0.34 -0.39 1.51 2.07 -1.33 -1.87 116.25 117.29 2ksy h VAL 108 Ca 0.17 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.55 2ksy h VAL 108 Cb 0.14 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2ksy h VAL 108 CO -0.02 0.03 0.27 -0.03 0.02 0.00 0.00 177.57 177.83 2ksy h MET 109 N -0.96 0.29 -0.34 1.57 4.05 -0.91 -0.37 114.93 118.26 2ksy h MET 109 Ca -0.08 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.22 2ksy h MET 109 Cb 0.67 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.39 2ksy h MET 109 CO 0.14 0.19 -0.19 1.25 0.23 0.00 0.00 176.91 178.53 2ksy h LEU 110 N 0.30 0.63 -0.50 3.39 5.85 -1.07 -2.13 115.31 121.79 2ksy h LEU 110 Ca 0.17 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 2ksy h LEU 110 Cb 0.30 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2ksy h LEU 110 CO -0.04 0.82 0.24 0.00 -0.34 0.00 0.00 178.44 179.12 2ksy h ALA 111 N 1.23 0.65 -0.39 1.25 0.00 -0.22 -2.66 119.26 119.12 2ksy h ALA 111 Ca 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2ksy h ALA 111 Cb 0.64 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2ksy h ALA 111 CO 0.04 0.22 0.12 0.78 0.00 0.00 0.00 179.25 180.41 2ksy h GLY 112 N 0.67 0.67 0.07 0.00 0.00 -1.27 0.16 103.07 103.37 2ksy h GLY 112 Ca 0.17 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.11 2ksy h GLY 112 CO -0.02 0.37 -0.34 -2.75 0.00 0.00 0.00 176.54 173.81 2ksy h PHE 113 N 0.49 -0.97 0.00 5.60 3.04 -1.23 -0.30 116.94 123.57 2ksy h PHE 113 Ca 0.13 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.10 2ksy h PHE 113 Cb 0.27 0.42 0.00 0.00 2.56 0.00 0.00 35.95 39.20 2ksy h PHE 113 CO 0.01 -0.38 0.00 0.00 -2.02 0.00 0.00 178.31 175.92 2ksy h ALA 114 N -0.91 1.00 -0.29 2.41 0.00 -1.51 -3.00 119.26 116.97 2ksy h ALA 114 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ksy h ALA 114 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2ksy h ALA 114 CO -0.18 0.00 0.17 0.78 0.00 0.00 0.00 179.25 180.02 2ksy h GLY 115 N 1.58 0.41 2.00 0.00 0.00 0.11 -2.67 103.07 104.51 2ksy h GLY 115 Ca 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 2ksy h GLY 115 CO 0.00 0.17 -0.24 0.00 0.00 0.00 0.00 176.54 176.47 2ksy h ALA 116 N 1.07 0.87 -0.22 3.60 0.00 -1.32 -3.20 119.26 120.06 2ksy h ALA 116 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2ksy h ALA 116 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2ksy h ALA 116 CO -0.02 0.30 0.00 -1.33 0.00 0.00 0.00 179.25 178.20 2ksy n MET 117 N -3.19 2.27 -2.60 0.00 2.81 -1.02 -4.92 117.12 110.48 2ksy n MET 117 Ca 0.03 -1.10 -0.35 0.00 -1.81 0.00 0.00 57.70 54.46 2ksy n MET 117 Cb 0.59 -1.68 -0.04 0.00 -0.71 0.00 0.00 33.22 31.38 2ksy n MET 117 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2ksy s VAL 118 N -1.63 3.87 -0.62 2.03 -7.23 -1.10 -4.96 120.40 110.75 2ksy s VAL 118 Ca 0.19 1.31 0.25 0.00 -1.81 0.00 0.00 61.98 61.92 2ksy s VAL 118 Cb 0.14 -3.62 0.16 0.00 0.56 0.00 0.00 36.38 33.62 2ksy s VAL 118 CO 0.07 -0.11 1.50 1.55 -0.31 0.00 0.00 175.10 177.80 2ksy h PRO 119 N 2.17 0.00 0.00 4.82 0.13 -1.92 -3.48 132.00 133.72 2ksy h PRO 119 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2ksy h PRO 119 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ksy h PRO 119 CO 0.61 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 2ksy n GLY 120 N 1.29 2.87 0.65 1.56 0.00 -1.26 -5.02 105.19 105.29 2ksy n GLY 120 Ca 0.04 -0.30 0.06 0.00 0.00 0.00 0.00 46.02 45.82 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 1.21 0.31 -0.61 -5.35 -1.26 -4.58 119.36 109.08 2ksy n ILE 121 Ca 0.00 -1.14 0.19 0.00 -0.27 0.00 0.00 62.75 61.53 2ksy n ILE 121 Cb 0.00 0.38 1.02 0.00 -1.74 0.00 0.00 39.64 39.30 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 1.91 0.00 -0.69 6.28 4.39 -1.93 -2.10 114.58 122.43 2ksy h GLU 122 Ca 0.00 0.00 0.20 0.00 0.34 0.00 0.00 59.36 59.90 2ksy h GLU 122 Cb 0.84 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.46 2ksy h GLU 122 CO 0.04 0.00 0.50 0.07 -1.16 0.00 0.00 179.01 178.45 2ksy h ARG 123 N 0.00 0.00 -0.01 2.33 0.11 -1.81 0.01 114.38 115.01 2ksy h ARG 123 Ca 0.00 -0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.89 2ksy h ARG 123 Cb 0.15 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 2ksy h ARG 123 CO 0.00 0.00 -0.82 1.88 0.10 0.00 0.00 179.97 181.13 2ksy h TYR 124 N 0.00 0.28 0.27 4.08 0.05 -1.72 -2.61 116.97 117.32 2ksy h TYR 124 Ca 0.33 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 58.95 2ksy h TYR 124 Cb 1.32 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.03 2ksy h TYR 124 CO -0.00 0.93 -0.13 0.00 -1.05 0.00 0.00 178.16 177.91 2ksy h ALA 125 N 1.03 -0.36 -0.52 3.88 0.00 -1.19 0.18 119.26 122.28 2ksy h ALA 125 Ca -0.04 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.74 2ksy h ALA 125 Cb 1.43 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 2ksy h ALA 125 CO 0.12 -0.44 0.22 -0.07 0.00 0.00 0.00 179.25 179.09 2ksy h LEU 126 N -0.89 0.27 -0.62 0.00 3.38 -1.57 -1.66 115.31 114.22 2ksy h LEU 126 Ca -0.04 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 2ksy h LEU 126 Cb 0.51 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2ksy h LEU 126 CO 0.06 0.18 -0.14 0.15 0.09 0.00 0.00 178.44 178.78 2ksy h PHE 127 N 0.43 1.06 -0.88 1.13 3.57 -1.54 -2.56 116.94 118.14 2ksy h PHE 127 Ca 0.25 -0.22 0.23 0.00 3.53 0.00 0.00 57.97 61.75 2ksy h PHE 127 Cb 0.23 -0.26 -0.13 0.00 2.79 0.00 0.00 35.95 38.57 2ksy h PHE 127 CO -0.14 1.01 0.30 0.78 -2.23 0.00 0.00 178.31 178.04 2ksy h GLY 128 N 0.94 1.44 1.12 2.40 0.00 0.02 0.66 103.07 109.66 2ksy h GLY 128 Ca 0.13 -0.09 -0.17 0.00 0.00 0.00 0.00 47.33 47.19 2ksy h GLY 128 CO 0.05 -0.34 -0.49 1.98 0.00 0.00 0.00 176.54 177.74 2ksy h MET 129 N 0.28 0.87 0.00 4.80 1.85 -1.30 -2.90 114.93 118.54 2ksy h MET 129 Ca 0.56 -0.53 -0.04 0.00 -0.61 0.00 0.00 59.70 59.07 2ksy h MET 129 Cb 1.11 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 33.19 2ksy h MET 129 CO -0.60 1.17 -0.20 0.78 -0.40 0.00 0.00 176.91 177.65 2ksy h GLY 130 N 0.66 0.00 0.25 1.39 0.00 0.19 -0.60 103.07 104.96 2ksy h GLY 130 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 2ksy h GLY 130 CO 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.61 2ksy h ALA 131 N 1.80 -0.12 -0.91 3.60 0.00 0.16 0.18 119.26 123.96 2ksy h ALA 131 Ca -0.00 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.67 2ksy h ALA 131 Cb 0.47 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 2ksy h ALA 131 CO 0.03 -0.19 0.60 0.28 0.00 0.00 0.00 179.25 179.96 2ksy h VAL 132 N -0.88 1.19 -0.24 0.00 2.07 -1.47 -1.29 116.25 115.63 2ksy h VAL 132 Ca -0.01 -0.41 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 2ksy h VAL 132 Cb 0.57 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2ksy h VAL 132 CO 0.02 0.22 -0.27 0.00 0.02 0.00 0.00 177.57 177.56 2ksy h ALA 133 N 1.36 1.09 0.18 1.67 0.00 -1.16 -2.63 119.26 119.75 2ksy h ALA 133 Ca 0.35 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2ksy h ALA 133 Cb -0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2ksy h ALA 133 CO -0.10 0.56 -0.27 0.35 0.00 0.00 0.00 179.25 179.80 2ksy h PHE 134 N 0.41 -0.73 -0.34 0.00 3.57 0.53 -0.79 116.94 119.60 2ksy h PHE 134 Ca 0.06 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.62 2ksy h PHE 134 Cb 0.69 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 2ksy h PHE 134 CO 0.02 -0.38 0.23 0.82 -2.23 0.00 0.00 178.31 176.77 2ksy h ILE 135 N -0.52 0.95 -0.53 1.41 2.04 -1.37 -1.58 117.51 117.91 2ksy h ILE 135 Ca 0.01 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.81 2ksy h ILE 135 Cb 0.52 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2ksy h ILE 135 CO -0.12 0.04 0.34 1.23 0.00 0.00 0.00 178.15 179.64 2ksy h GLY 136 N 0.23 0.75 0.46 5.37 0.00 -0.79 0.12 103.07 109.22 2ksy h GLY 136 Ca 0.15 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 2ksy h GLY 136 CO -0.03 0.23 -0.05 -2.00 0.00 0.00 0.00 176.54 174.70 2ksy h LEU 137 N 0.67 -0.11 -1.85 3.11 5.85 -0.63 -2.70 115.31 119.66 2ksy h LEU 137 Ca 0.21 -0.43 0.15 0.00 0.84 0.00 0.00 57.88 58.65 2ksy h LEU 137 Cb -0.02 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2ksy h LEU 137 CO -0.07 0.41 0.43 -0.37 -0.34 0.00 0.00 178.44 178.50 2ksy h VAL 138 N -0.67 0.76 -0.42 1.05 -1.51 -1.34 0.29 116.25 114.41 2ksy h VAL 138 Ca -0.01 -0.05 -0.03 0.00 -1.23 0.00 0.00 66.70 65.37 2ksy h VAL 138 Cb 0.53 0.59 -0.02 0.00 -2.13 0.00 0.00 31.29 30.26 2ksy h VAL 138 CO 0.02 0.03 0.15 0.22 -1.23 0.00 0.00 177.57 176.76 2ksy h TYR 139 N 0.16 0.67 -0.74 5.19 3.20 -0.86 -2.75 116.97 121.83 2ksy h TYR 139 Ca 0.30 -0.06 0.02 0.00 3.14 0.00 0.00 58.73 62.13 2ksy h TYR 139 Cb 0.96 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.99 2ksy h TYR 139 CO -0.00 0.60 0.47 1.88 -1.64 0.00 0.00 178.16 179.47 2ksy h TYR 140 N 0.54 0.89 -0.24 -3.82 0.05 -0.11 0.51 116.97 114.79 2ksy h TYR 140 Ca 0.14 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.99 2ksy h TYR 140 Cb 0.23 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 37.63 2ksy h TYR 140 CO 0.01 0.52 -0.04 -0.07 -1.05 0.00 0.00 178.16 177.53 2ksy h LEU 141 N 0.93 -0.18 0.00 3.88 4.07 -1.14 -1.14 115.31 121.73 2ksy h LEU 141 Ca 0.29 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.31 2ksy h LEU 141 Cb -0.02 0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.85 2ksy h LEU 141 CO -0.10 -0.06 -0.13 0.55 -1.08 0.00 0.00 178.44 177.63 2ksy n VAL 142 N -5.19 0.03 0.00 1.22 3.14 -1.05 -3.57 118.33 112.90 2ksy n VAL 142 Ca -0.01 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 2ksy n VAL 142 Cb 0.14 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 32.59 2ksy n VAL 142 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ksy n GLY 143 N 1.49 -0.18 0.39 7.55 0.00 0.18 -4.56 105.19 110.05 2ksy n GLY 143 Ca 0.07 -1.29 0.18 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.76 1.61 0.11 -1.86 -1.77 132.00 129.33 2ksy h PRO 144 Ca 0.00 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.24 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 0.34 0.52 -0.21 0.00 0.00 178.00 178.65 2ksy h MET 145 N 0.00 0.51 0.01 1.05 2.86 -1.77 0.48 114.93 118.07 2ksy h MET 145 Ca 0.15 -0.03 -0.19 0.00 -2.06 0.00 0.00 59.70 57.57 2ksy h MET 145 Cb 1.29 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.82 2ksy h MET 145 CO -0.00 0.33 -0.89 0.00 1.06 0.00 0.00 176.91 177.42 2ksy h THR 146 N 0.52 1.54 -0.70 2.22 1.03 -1.37 -2.75 112.91 113.41 2ksy h THR 146 Ca 0.41 -2.76 -0.07 0.00 -0.01 0.00 0.00 66.41 63.98 2ksy h THR 146 Cb 0.57 2.54 -0.03 0.00 -1.07 0.00 0.00 68.15 70.16 2ksy h THR 146 CO -0.36 0.80 0.18 -0.08 -0.01 0.00 0.00 175.52 176.04 2ksy h GLU 147 N 0.06 1.11 -0.11 0.00 4.81 -1.27 -0.27 114.58 118.91 2ksy h GLU 147 Ca -0.03 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 2ksy h GLU 147 Cb 1.53 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.76 2ksy h GLU 147 CO 0.13 0.98 -0.14 0.77 -0.73 0.00 0.00 179.01 180.01 2ksy h SER 148 N 1.04 0.31 -0.12 1.04 0.02 -0.98 -3.14 113.55 111.73 2ksy h SER 148 Ca 0.22 -0.51 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 2ksy h SER 148 Cb 0.36 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2ksy h SER 148 CO 0.00 0.76 0.01 0.00 -1.14 0.00 0.00 176.83 176.46 2ksy h ALA 149 N 0.56 1.64 0.00 3.77 0.00 -1.41 -0.62 119.26 123.19 2ksy h ALA 149 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2ksy h ALA 149 Cb 0.69 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2ksy h ALA 149 CO 0.03 0.27 0.00 0.45 0.00 0.00 0.00 179.25 180.01 2ksy n SER 150 N -4.38 0.00 0.00 0.00 2.88 -0.12 -1.85 113.62 110.15 2ksy n SER 150 Ca 0.00 -0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.18 2ksy n SER 150 Cb 0.18 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 2ksy n SER 150 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ksy n GLN 151 N -1.08 -0.34 -0.07 -1.46 6.02 -0.26 -4.73 117.38 115.46 2ksy n GLN 151 Ca 0.11 -0.66 -0.12 0.00 -0.01 0.00 0.00 57.00 56.32 2ksy n GLN 151 Cb 0.08 -1.00 -0.10 0.00 1.02 0.00 0.00 30.24 30.25 2ksy n GLN 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ksy h ARG 152 N 0.00 0.00 -3.22 -1.09 2.47 -1.17 -3.50 114.38 107.88 2ksy h ARG 152 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2ksy h ARG 152 Cb 0.09 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.36 2ksy h ARG 152 CO 0.00 0.76 0.13 -1.12 0.56 0.00 0.00 179.97 180.30 2ksy s SER 153 N -6.16 -0.10 0.15 7.04 0.01 -1.25 -5.02 113.70 108.38 2ksy s SER 153 Ca -0.16 -0.85 -0.09 0.00 1.31 0.00 0.00 55.95 56.16 2ksy s SER 153 Cb -0.01 0.72 -0.01 0.00 0.21 0.00 0.00 66.02 66.93 2ksy s SER 153 CO 0.52 -1.37 1.47 0.77 0.41 0.00 0.00 173.24 175.04 2ksy h SER 154 N 2.06 0.91 0.13 2.44 4.64 -1.92 -3.25 113.55 118.57 2ksy h SER 154 Ca -0.24 -0.45 -0.28 0.00 -0.47 0.00 0.00 61.79 60.35 2ksy h SER 154 Cb 1.25 -0.26 0.02 0.00 -0.31 0.00 0.00 62.40 63.10 2ksy h SER 154 CO 0.30 1.23 -1.17 1.23 -0.87 0.00 0.00 176.83 177.55 2ksy h GLY 155 N 0.81 0.69 -0.03 -0.77 0.00 -1.96 -3.30 103.07 98.51 2ksy h GLY 155 Ca 0.04 -1.36 0.23 0.00 0.00 0.00 0.00 47.33 46.23 2ksy h GLY 155 CO 0.10 1.20 0.62 -2.22 0.00 0.00 0.00 176.54 176.24 2ksy h ILE 156 N 0.30 0.60 -0.46 2.60 1.08 -1.85 0.11 117.51 119.89 2ksy h ILE 156 Ca -0.16 -0.20 -0.10 0.00 -0.39 0.00 0.00 64.86 64.00 2ksy h ILE 156 Cb 1.83 -0.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.52 2ksy h ILE 156 CO 0.22 0.11 -0.11 0.50 -0.69 0.00 0.00 178.15 178.18 2ksy h LYS 157 N 0.59 0.84 -0.23 2.37 3.64 -1.64 -1.32 116.57 120.84 2ksy h LYS 157 Ca 0.60 -0.29 -0.17 0.00 -1.27 0.00 0.00 60.65 59.52 2ksy h LYS 157 Cb 1.17 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2ksy h LYS 157 CO -0.39 0.92 -0.56 0.77 -2.27 0.00 0.00 179.45 177.92 2ksy h SER 158 N 0.76 0.78 0.33 4.20 0.02 -0.94 -2.76 113.55 115.94 2ksy h SER 158 Ca 0.12 -0.42 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 2ksy h SER 158 Cb 0.62 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2ksy h SER 158 CO 0.04 1.18 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.68 2ksy h LEU 159 N 0.53 -0.37 -0.90 5.07 3.38 -1.11 -2.86 115.31 119.07 2ksy h LEU 159 Ca 0.01 -0.16 0.16 0.00 0.09 0.00 0.00 57.88 57.98 2ksy h LEU 159 Cb 1.14 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.88 2ksy h LEU 159 CO 0.11 0.08 0.49 0.22 0.09 0.00 0.00 178.44 179.43 2ksy h TYR 160 N -0.97 0.85 -0.06 1.13 5.03 -1.33 0.81 116.97 122.44 2ksy h TYR 160 Ca -0.04 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 2ksy h TYR 160 Cb 0.51 -0.24 -0.00 0.00 1.55 0.00 0.00 36.73 38.54 2ksy h TYR 160 CO 0.04 0.20 -0.00 -0.39 -1.32 0.00 0.00 178.16 176.68 2ksy h VAL 161 N 0.66 1.25 -0.04 1.81 -1.51 -1.56 -0.90 116.25 115.97 2ksy h VAL 161 Ca 0.50 -0.78 -0.01 0.00 -1.23 0.00 0.00 66.70 65.18 2ksy h VAL 161 Cb 0.72 1.67 -0.00 0.00 -2.13 0.00 0.00 31.29 31.55 2ksy h VAL 161 CO -0.37 0.21 0.00 0.03 -1.23 0.00 0.00 177.57 176.21 2ksy h ARG 162 N -0.19 0.07 0.54 5.19 3.08 -1.18 -1.54 114.38 120.35 2ksy h ARG 162 Ca 0.02 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2ksy h ARG 162 Cb 0.34 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.39 2ksy h ARG 162 CO 0.00 0.35 -0.26 -0.07 -1.07 0.00 0.00 179.97 178.92 2ksy h LEU 163 N -0.22 -0.61 -1.14 3.04 3.38 -0.91 -2.87 115.31 115.99 2ksy h LEU 163 Ca 0.01 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2ksy h LEU 163 Cb 0.32 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2ksy h LEU 163 CO 0.00 -0.41 0.59 0.08 0.09 0.00 0.00 178.44 178.79 2ksy h ARG 164 N -0.75 1.09 0.14 1.13 -0.00 -1.23 -1.35 114.38 113.41 2ksy h ARG 164 Ca -0.07 -0.07 0.01 0.00 -0.00 0.00 0.00 59.98 59.85 2ksy h ARG 164 Cb 0.57 -0.25 -0.02 0.00 -0.00 0.00 0.00 29.97 30.27 2ksy h ARG 164 CO 0.12 0.72 -0.21 -0.91 -0.00 0.00 0.00 179.97 179.69 2ksy h ASN 165 N 1.12 -0.58 0.44 0.08 -0.26 -1.14 -0.29 115.58 114.96 2ksy h ASN 165 Ca 0.35 0.06 -0.07 0.00 -0.56 0.00 0.00 56.30 56.08 2ksy h ASN 165 Cb 0.01 0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.48 2ksy h ASN 165 CO -0.10 -0.30 -0.36 0.17 -1.06 0.00 0.00 177.43 175.78 2ksy h LEU 166 N -0.41 0.00 0.32 1.61 -0.00 -1.31 -2.88 115.31 112.64 2ksy h LEU 166 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.88 2ksy h LEU 166 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 2ksy h LEU 166 CO -0.10 0.36 -0.15 0.74 -0.00 0.00 0.00 178.44 179.28 2ksy h THR 167 N 0.00 0.70 -0.94 0.15 2.02 -0.30 -2.74 112.91 111.80 2ksy h THR 167 Ca -0.00 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.07 2ksy h THR 167 Cb 0.67 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 2ksy h THR 167 CO 0.05 0.02 0.62 0.58 0.37 0.00 0.00 175.52 177.16 2ksy h VAL 168 N -0.49 1.24 0.31 3.16 2.07 -1.00 -0.46 116.25 121.08 2ksy h VAL 168 Ca -0.04 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 2ksy h VAL 168 Cb 0.37 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 2ksy h VAL 168 CO 0.07 0.24 -0.23 0.58 0.02 0.00 0.00 177.57 178.25 2ksy h VAL 169 N 1.28 0.00 -0.26 2.57 2.07 -1.39 0.11 116.25 120.63 2ksy h VAL 169 Ca 0.34 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.83 2ksy h VAL 169 Cb -0.14 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.61 2ksy h VAL 169 CO -0.07 0.00 0.02 0.17 0.02 0.00 0.00 177.57 177.70 2ksy h LEU 170 N -0.52 0.35 -1.01 2.57 8.10 -1.48 -2.05 115.31 121.27 2ksy h LEU 170 Ca -0.04 -0.05 -0.10 0.00 0.11 0.00 0.00 57.88 57.80 2ksy h LEU 170 Cb 0.43 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.54 2ksy h LEU 170 CO 0.02 0.40 -0.43 -0.50 -4.11 0.00 0.00 178.44 173.81 2ksy h TRP 171 N 0.37 0.15 0.00 0.17 4.06 -0.99 -2.20 115.95 117.51 2ksy h TRP 171 Ca 0.09 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 61.00 2ksy h TRP 171 Cb 0.22 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 2ksy h TRP 171 CO 0.01 0.54 0.00 0.00 -3.56 0.00 0.00 178.44 175.43 2ksy n ALA 172 N -2.46 2.08 0.13 1.49 0.00 0.02 -2.36 120.51 119.41 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 0.48 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.61 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 0.23 -0.27 0.00 1.08 -1.32 -3.36 117.51 113.87 2ksy h ILE 173 Ca 0.00 -1.37 0.05 0.00 -0.39 0.00 0.00 64.86 63.15 2ksy h ILE 173 Cb 0.26 1.89 -0.05 0.00 -3.07 0.00 0.00 36.82 35.85 2ksy h ILE 173 CO 0.00 0.13 -0.07 1.88 -0.69 0.00 0.00 178.15 179.40 2ksy h TYR 174 N 0.00 -0.15 -1.28 1.37 0.05 -1.54 -1.19 116.97 114.23 2ksy h TYR 174 Ca -0.03 0.02 0.37 0.00 0.05 0.00 0.00 58.73 59.15 2ksy h TYR 174 Cb 1.17 0.11 -0.06 0.00 1.01 0.00 0.00 36.73 38.96 2ksy h TYR 174 CO 0.00 -0.12 0.91 -1.35 -1.05 0.00 0.00 178.16 176.55 2ksy h PRO 175 N -0.01 0.04 0.03 4.88 0.11 -1.77 0.59 132.00 135.87 2ksy h PRO 175 Ca 0.13 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.19 2ksy h PRO 175 Cb 0.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.31 2ksy h PRO 175 CO -0.28 0.02 -0.22 0.74 -0.21 0.00 0.00 178.00 178.05 2ksy h PHE 176 N 0.04 0.12 -0.33 0.65 0.04 -1.47 -2.76 116.94 113.22 2ksy h PHE 176 Ca 0.63 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 61.27 2ksy h PHE 176 Cb 2.41 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 40.54 2ksy h PHE 176 CO -0.00 1.09 0.02 0.82 -0.60 0.00 0.00 178.31 179.64 2ksy h ILE 177 N -0.86 1.18 -0.01 -0.55 1.08 -0.59 0.21 117.51 117.97 2ksy h ILE 177 Ca -0.04 -0.71 -0.03 0.00 -0.39 0.00 0.00 64.86 63.69 2ksy h ILE 177 Cb 1.15 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 35.81 2ksy h ILE 177 CO 0.03 0.25 -0.10 -0.25 -0.69 0.00 0.00 178.15 177.38 2ksy h TRP 178 N 0.49 0.13 0.19 1.37 7.01 -1.09 0.27 115.95 124.32 2ksy h TRP 178 Ca 0.11 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 2ksy h TRP 178 Cb 0.28 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.32 2ksy h TRP 178 CO 0.01 0.78 -0.09 1.25 -2.79 0.00 0.00 178.44 177.60 2ksy h LEU 179 N -0.55 -0.22 0.04 0.65 7.12 -1.34 -1.76 115.31 119.25 2ksy h LEU 179 Ca -0.01 -0.13 -0.23 0.00 0.13 0.00 0.00 57.88 57.64 2ksy h LEU 179 Cb 0.80 0.06 0.02 0.00 -0.53 0.00 0.00 40.66 41.00 2ksy h LEU 179 CO 0.02 0.00 -0.93 -0.07 -0.13 0.00 0.00 178.44 177.33 2ksy h LEU 180 N -0.44 0.74 -9.80 2.25 3.38 -0.71 0.17 115.31 110.91 2ksy h LEU 180 Ca -0.03 -0.79 -0.35 0.00 0.09 0.00 0.00 57.88 56.81 2ksy h LEU 180 Cb 0.34 -0.23 0.20 0.00 0.09 0.00 0.00 40.66 41.06 2ksy h LEU 180 CO 0.04 1.44 -0.17 0.61 0.09 0.00 0.00 178.44 180.45 2ksy n GLY 181 N 1.20 -3.58 0.29 0.83 0.00 0.93 -0.51 105.19 104.36 2ksy n GLY 181 Ca -0.12 -1.53 0.09 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.45 0.23 -0.31 1.61 0.11 -1.83 -0.39 132.00 127.97 2ksy h PRO 182 Ca -0.39 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.80 2ksy h PRO 182 Cb 1.24 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2ksy h PRO 182 CO 0.24 0.15 0.59 -1.35 -0.21 0.00 0.00 178.00 177.43 2ksy h PRO 183 N 0.23 0.00 0.00 1.05 0.11 -1.87 -3.39 132.00 128.13 2ksy h PRO 183 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 2ksy h PRO 183 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2ksy h PRO 183 CO -0.59 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.61 2ksy n GLY 184 N -1.43 2.90 0.33 -0.55 0.00 -0.22 -4.35 105.19 101.87 2ksy n GLY 184 Ca 0.06 -0.48 0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 0.10 -5.45 1.61 -1.51 -0.79 -3.48 116.25 106.73 2ksy h VAL 185 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 2ksy h VAL 185 Cb 0.00 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.10 2ksy h VAL 185 CO 0.00 0.00 -0.90 0.00 -1.23 0.00 0.00 177.57 175.44 2ksy n ALA 186 N -2.10 -3.08 -0.11 5.19 0.00 -0.27 -4.99 120.51 115.15 2ksy n ALA 186 Ca -0.03 0.56 -0.23 0.00 0.00 0.00 0.00 53.44 53.74 2ksy n ALA 186 Cb 0.14 -1.62 -0.11 0.00 0.00 0.00 0.00 19.45 17.86 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 0.52 1.91 0.00 0.00 4.77 0.34 -4.93 117.00 119.61 2ksy n LEU 187 Ca 0.02 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2ksy n LEU 187 Cb 0.22 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 2ksy n LEU 187 CO 0.39 0.36 0.00 0.18 -1.33 0.00 0.00 177.39 176.99 2ksy n LEU 188 N -4.36 0.00 -4.86 2.23 4.77 -1.26 -5.11 117.00 108.41 2ksy n LEU 188 Ca -0.36 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.29 2ksy n LEU 188 Cb 0.74 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.77 2ksy n LEU 188 CO 0.17 0.00 -0.19 0.28 -1.33 0.00 0.00 177.39 176.32 2ksy s THR 189 N 2.10 5.17 0.27 -5.08 -1.32 -1.26 -4.86 115.64 110.65 2ksy s THR 189 Ca 0.00 -0.30 -0.01 0.00 -1.21 0.00 0.00 61.69 60.16 2ksy s THR 189 Cb 0.00 -3.42 0.28 0.00 -1.51 0.00 0.00 72.50 67.85 2ksy s THR 189 CO 0.00 0.29 1.66 -0.65 -2.21 0.00 0.00 174.62 173.72 2ksy h PRO 190 N 3.76 0.23 -1.01 7.08 0.11 -1.99 -0.24 132.00 139.94 2ksy h PRO 190 Ca -0.48 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.69 2ksy h PRO 190 Cb 1.18 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 2ksy h PRO 190 CO 0.68 0.15 0.65 0.00 -0.21 0.00 0.00 178.00 179.26 2ksy h THR 191 N 0.23 1.04 0.13 -1.15 1.03 -1.98 0.12 112.91 112.34 2ksy h THR 191 Ca 0.49 -0.39 -0.01 0.00 -0.01 0.00 0.00 66.41 66.49 2ksy h THR 191 Cb 0.92 -0.19 0.00 0.00 -1.07 0.00 0.00 68.15 67.81 2ksy h THR 191 CO -0.60 0.21 -0.06 0.58 -0.01 0.00 0.00 175.52 175.64 2ksy h VAL 192 N 1.13 0.95 -0.07 0.00 2.07 -1.48 -2.16 116.25 116.69 2ksy h VAL 192 Ca 0.45 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.76 2ksy h VAL 192 Cb 0.25 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2ksy h VAL 192 CO -0.20 0.25 -0.03 0.44 0.02 0.00 0.00 177.57 178.06 2ksy h ASP 193 N -0.84 -0.09 -0.64 0.57 3.32 -1.24 -2.13 116.42 115.36 2ksy h ASP 193 Ca -0.02 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.07 2ksy h ASP 193 Cb 0.55 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 2ksy h ASP 193 CO 0.03 -0.03 0.43 0.58 -1.72 0.00 0.00 179.24 178.52 2ksy h VAL 194 N -0.01 1.16 -0.36 -1.35 2.07 -0.88 -2.38 116.25 114.48 2ksy h VAL 194 Ca 0.04 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.31 2ksy h VAL 194 Cb 0.07 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 2ksy h VAL 194 CO -0.08 0.16 0.10 0.00 0.02 0.00 0.00 177.57 177.77 2ksy h ALA 195 N 1.60 0.41 -0.37 1.67 0.00 -0.73 0.35 119.26 122.19 2ksy h ALA 195 Ca 0.24 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2ksy h ALA 195 Cb -0.09 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2ksy h ALA 195 CO -0.05 -0.30 -0.04 -0.07 0.00 0.00 0.00 179.25 178.79 2ksy h LEU 196 N 0.24 0.58 0.36 0.00 3.38 -1.10 -1.58 115.31 117.20 2ksy h LEU 196 Ca 0.17 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2ksy h LEU 196 Cb 0.17 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2ksy h LEU 196 CO -0.20 0.69 -0.17 0.40 0.09 0.00 0.00 178.44 179.25 2ksy h ILE 197 N 0.57 0.66 -0.72 1.22 1.08 -0.83 0.19 117.51 119.68 2ksy h ILE 197 Ca 0.11 -0.13 0.13 0.00 -0.39 0.00 0.00 64.86 64.58 2ksy h ILE 197 Cb 0.43 0.73 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 2ksy h ILE 197 CO 0.02 0.03 0.48 0.58 -0.69 0.00 0.00 178.15 178.57 2ksy h VAL 198 N -0.56 0.83 -0.40 1.67 2.07 -0.81 0.37 116.25 119.42 2ksy h VAL 198 Ca -0.05 -0.15 -0.15 0.00 0.82 0.00 0.00 66.70 67.17 2ksy h VAL 198 Cb 0.41 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2ksy h VAL 198 CO 0.08 0.08 -0.33 0.22 0.02 0.00 0.00 177.57 177.65 2ksy h TYR 199 N 0.44 1.10 -0.76 1.57 3.20 -0.61 -1.67 116.97 120.24 2ksy h TYR 199 Ca 0.35 -0.31 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 2ksy h TYR 199 Cb 0.75 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 2ksy h TYR 199 CO -0.00 1.13 0.41 -0.07 -1.64 0.00 0.00 178.16 177.99 2ksy h LEU 200 N 0.75 0.96 -0.25 2.82 3.38 0.15 -1.01 115.31 122.10 2ksy h LEU 200 Ca 0.07 -0.10 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 2ksy h LEU 200 Cb 0.92 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2ksy h LEU 200 CO 0.08 0.79 -0.59 0.44 0.09 0.00 0.00 178.44 179.25 2ksy h ASP 201 N 1.05 0.94 -0.09 -0.43 5.19 -1.26 -2.48 116.42 119.34 2ksy h ASP 201 Ca 0.27 -0.56 -0.06 0.00 -0.62 0.00 0.00 57.03 56.05 2ksy h ASP 201 Cb 0.05 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.27 2ksy h ASP 201 CO -0.04 1.33 -0.12 -0.07 -3.12 0.00 0.00 179.24 177.22 2ksy h LEU 202 N 0.60 0.40 -0.05 1.55 3.38 -1.08 -2.96 115.31 117.15 2ksy h LEU 202 Ca -0.00 -0.10 -0.25 0.00 0.09 0.00 0.00 57.88 57.62 2ksy h LEU 202 Cb 1.20 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.85 2ksy h LEU 202 CO 0.13 0.56 -1.07 0.58 0.09 0.00 0.00 178.44 178.73 2ksy h VAL 203 N 0.39 1.41 0.00 1.22 2.07 -1.17 -1.95 116.25 118.23 2ksy h VAL 203 Ca 0.07 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 64.97 2ksy h VAL 203 Cb 0.46 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 2ksy h VAL 203 CO 0.03 0.78 0.00 0.41 0.02 0.00 0.00 177.57 178.81 2ksy n THR 204 N -3.69 0.04 0.00 2.57 -1.04 -0.94 -0.46 114.28 110.76 2ksy n THR 204 Ca -0.08 0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2ksy n THR 204 Cb 0.91 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 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 -1.02 0.00 0.51 12.58 0.31 -0.75 -2.61 118.33 127.35 2ksy n VAL 206 Ca 0.08 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.20 2ksy n VAL 206 Cb 0.04 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.87 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 -1.40 0.85 2.92 0.00 -0.62 -1.00 103.07 103.82 2ksy h GLY 207 Ca 0.00 0.54 0.03 0.00 0.00 0.00 0.00 47.33 47.90 2ksy h GLY 207 CO 0.00 -0.50 0.40 0.74 0.00 0.00 0.00 176.54 177.19 2ksy h PHE 208 N -1.32 0.76 -0.93 5.60 0.04 -1.45 -2.32 116.94 117.32 2ksy h PHE 208 Ca -0.13 0.02 0.15 0.00 2.80 0.00 0.00 57.97 60.81 2ksy h PHE 208 Cb 1.02 -0.25 -0.08 0.00 2.20 0.00 0.00 35.95 38.85 2ksy h PHE 208 CO -0.03 0.43 0.59 0.78 -0.60 0.00 0.00 178.31 179.48 2ksy h GLY 209 N 0.79 1.33 0.58 -1.45 0.00 -1.74 2.06 103.07 104.65 2ksy h GLY 209 Ca 0.27 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 2ksy h GLY 209 CO -0.11 0.08 -0.05 0.74 0.00 0.00 0.00 176.54 177.19 2ksy h PHE 210 N 0.74 0.15 0.00 5.60 0.04 -0.64 0.26 116.94 123.09 2ksy h PHE 210 Ca 0.47 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 61.17 2ksy h PHE 210 Cb 0.72 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.84 2ksy h PHE 210 CO -0.00 0.59 -0.14 0.82 -0.60 0.00 0.00 178.31 178.97 2ksy h ILE 211 N -0.33 0.85 -0.41 -0.55 2.04 -1.06 -1.63 117.51 116.41 2ksy h ILE 211 Ca 0.01 -0.54 -0.13 0.00 1.00 0.00 0.00 64.86 65.19 2ksy h ILE 211 Cb 0.57 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 2ksy h ILE 211 CO 0.01 0.14 -0.26 0.00 0.00 0.00 0.00 178.15 178.04 2ksy h ALA 212 N 1.86 0.76 0.35 1.87 0.00 0.39 -1.92 119.26 122.57 2ksy h ALA 212 Ca -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2ksy h ALA 212 Cb 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2ksy h ALA 212 CO 0.02 0.66 -0.17 -0.07 0.00 0.00 0.00 179.25 179.69 2ksy h LEU 213 N 0.74 -0.39 -2.23 0.00 3.38 0.46 -1.85 115.31 115.42 2ksy h LEU 213 Ca 0.09 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2ksy h LEU 213 Cb 0.81 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2ksy h LEU 213 CO 0.07 -0.07 -0.02 0.44 0.09 0.00 0.00 178.44 178.95 2ksy h ASP 214 N -0.74 0.00 0.44 -0.43 3.32 -1.50 -0.53 116.42 116.98 2ksy h ASP 214 Ca -0.05 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 2ksy h ASP 214 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2ksy h ASP 214 CO 0.08 0.02 -0.21 0.00 -1.72 0.00 0.00 179.24 177.41 2ksy h ALA 215 N 1.98 -0.59 -0.10 3.45 0.00 -1.12 -2.34 119.26 120.54 2ksy h ALA 215 Ca -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2ksy h ALA 215 Cb 0.04 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2ksy h ALA 215 CO 0.00 -0.61 -0.10 0.00 0.00 0.00 0.00 179.25 178.54 2ksy h ALA 216 N -0.81 1.64 -0.54 0.00 0.00 -1.12 -2.04 119.26 116.39 2ksy h ALA 216 Ca -0.06 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2ksy h ALA 216 Cb 0.55 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2ksy h ALA 216 CO 0.10 0.26 0.07 0.00 0.00 0.00 0.00 179.25 179.68 2ksy h ALA 217 N 1.75 1.11 -0.40 0.00 0.00 -1.11 -1.48 119.26 119.13 2ksy h ALA 217 Ca 0.03 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 2ksy h ALA 217 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2ksy h ALA 217 CO 0.02 0.58 -0.29 1.15 0.00 0.00 0.00 179.25 180.71 2ksy h THR 218 N 0.82 1.28 -0.27 0.00 2.02 -0.81 -0.39 112.91 115.56 2ksy h THR 218 Ca 0.17 -1.45 -0.05 0.00 0.77 0.00 0.00 66.41 65.85 2ksy h THR 218 Cb 0.39 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 2ksy h THR 218 CO 0.01 0.49 -0.04 -0.07 0.37 0.00 0.00 175.52 176.28 2ksy h LEU 219 N 0.72 0.39 -0.10 2.58 3.38 -1.16 -1.73 115.31 119.38 2ksy h LEU 219 Ca 0.08 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.77 2ksy h LEU 219 Cb 0.87 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2ksy h LEU 219 CO 0.08 0.49 -0.97 -0.09 0.09 0.00 0.00 178.44 178.03 2ksy h ARG 220 N 0.40 0.05 0.00 1.13 2.43 -1.09 -1.56 114.38 115.75 2ksy h ARG 220 Ca 0.09 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 2ksy h ARG 220 Cb 0.33 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2ksy h ARG 220 CO 0.01 0.98 -0.49 0.00 -1.51 0.00 0.00 179.97 178.96 2ksy h ALA 221 N 0.99 1.13 0.00 2.80 0.00 -0.51 -2.96 119.26 120.72 2ksy h ALA 221 Ca -0.03 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2ksy h ALA 221 Cb 1.69 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 2ksy h ALA 221 CO 0.13 0.62 -1.32 -0.85 0.00 0.00 0.00 179.25 177.83 2ksy n GLU 222 N -3.87 0.62 -1.08 0.00 0.28 -0.70 -4.94 120.64 110.95 2ksy n GLU 222 Ca -0.01 0.09 -0.03 0.00 -0.16 0.00 0.00 57.16 57.05 2ksy n GLU 222 Cb 0.52 -1.76 -0.01 0.00 1.43 0.00 0.00 31.44 31.62 2ksy n GLU 222 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2ksy n HIS 223 N -2.67 0.00 0.00 -1.84 8.25 -0.59 -3.47 115.22 114.90 2ksy n HIS 223 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2ksy n HIS 223 Cb 0.65 -2.14 0.00 0.00 1.12 0.00 0.00 29.99 29.62 2ksy n HIS 223 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ksy n GLY 224 N 0.73 1.68 3.69 -1.41 0.00 -1.24 -4.89 105.19 103.74 2ksy n GLY 224 Ca -0.03 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 2.74 -0.03 1.61 2.02 -1.23 -5.12 118.70 118.69 2ksy s GLU 225 Ca 0.00 -0.67 -0.01 0.00 0.02 0.00 0.00 54.97 54.31 2ksy s GLU 225 Cb 0.00 -2.64 0.03 0.00 0.10 0.00 0.00 34.13 31.62 2ksy s GLU 225 CO 0.00 0.60 0.04 -1.54 0.02 0.00 0.00 175.26 174.38 2ksy s SER 226 N -1.77 0.53 0.69 -0.19 1.04 -1.26 -4.99 113.70 107.75 2ksy s SER 226 Ca 0.21 0.06 -0.17 0.00 0.48 0.00 0.00 55.95 56.54 2ksy s SER 226 Cb -0.12 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 65.88 2ksy s SER 226 CO 0.13 -0.18 0.86 0.00 0.98 0.00 0.00 173.24 175.03 2ksy n LEU 227 N 4.67 2.94 -4.31 2.42 -0.00 -1.26 -5.00 117.00 116.45 2ksy n LEU 227 Ca -0.17 0.69 -0.32 0.00 -0.00 0.00 0.00 56.01 56.20 2ksy n LEU 227 Cb 0.50 -1.36 -0.15 0.00 -0.00 0.00 0.00 43.42 42.41 2ksy n LEU 227 CO 0.15 -2.25 -0.50 0.00 -0.00 0.00 0.00 177.39 174.78 2ksy s ALA 228 N -1.76 2.40 0.00 1.47 0.00 -1.26 -4.95 121.76 117.66 2ksy s ALA 228 Ca 0.72 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2ksy s ALA 228 Cb -0.37 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 21.78 2ksy s ALA 228 CO 0.51 0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.99 2ksy n GLY 229 N 3.34 1.00 3.55 0.00 0.00 -1.26 -5.03 105.19 106.79 2ksy n GLY 229 Ca -0.18 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 5.28 -0.15 1.61 1.01 -1.26 -5.07 120.40 121.81 2ksy s VAL 230 Ca 0.00 -0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 2ksy s VAL 230 Cb 0.00 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 2ksy s VAL 230 CO 0.00 0.06 0.22 1.51 0.00 0.00 0.00 175.10 176.89 2ksy s ASP 231 N 1.73 6.38 -0.25 3.32 -4.77 -1.26 -5.08 116.67 116.75 2ksy s ASP 231 Ca 0.07 0.45 -0.13 0.00 -3.30 0.00 0.00 52.55 49.64 2ksy s ASP 231 Cb -0.17 -2.13 0.08 0.00 -1.09 0.00 0.00 42.92 39.61 2ksy s ASP 231 CO 0.11 0.21 0.59 0.28 0.70 0.00 0.00 175.17 177.06 2ksy s THR 232 N -0.00 -0.14 -0.06 2.11 -1.32 -1.26 -5.17 115.64 109.81 2ksy s THR 232 Ca 0.14 0.03 -0.29 0.00 -1.21 0.00 0.00 61.69 60.36 2ksy s THR 232 Cb -0.12 -0.87 0.11 0.00 -1.51 0.00 0.00 72.50 70.10 2ksy s THR 232 CO 0.03 0.01 0.92 1.51 -2.21 0.00 0.00 174.62 174.88 2ksy s ASP 233 N 1.74 -0.38 0.01 8.08 -4.77 -1.26 -5.18 116.67 114.92 2ksy s ASP 233 Ca -0.09 0.16 0.05 0.00 -3.30 0.00 0.00 52.55 49.38 2ksy s ASP 233 Cb -0.07 0.36 -0.02 0.00 -1.09 0.00 0.00 42.92 42.10 2ksy s ASP 233 CO -0.18 -0.52 -0.16 0.28 0.70 0.00 0.00 175.17 175.29 2ksy s THR 234 N -2.37 1.30 0.34 2.11 -1.32 -1.26 -5.12 115.64 109.31 2ksy s THR 234 Ca 0.02 -0.87 -0.29 0.00 -1.21 0.00 0.00 61.69 59.35 2ksy s THR 234 Cb -0.01 -1.11 -0.12 0.00 -1.51 0.00 0.00 72.50 69.75 2ksy s THR 234 CO -0.05 0.23 1.46 -2.65 -2.21 0.00 0.00 174.62 171.41 2ksy n PRO 235 N 2.31 2.51 -3.15 7.08 -0.02 -1.26 -5.00 135.00 137.46 2ksy n PRO 235 Ca -0.16 0.88 0.04 0.00 -2.02 0.00 0.00 63.50 62.24 2ksy n PRO 235 Cb 0.54 -2.59 -0.01 0.00 -0.02 0.00 0.00 33.50 31.43 2ksy n PRO 235 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ksy s ALA 236 N -0.77 -2.29 -0.35 3.55 0.00 -1.26 -5.12 121.76 115.52 2ksy s ALA 236 Ca 0.57 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.09 2ksy s ALA 236 Cb -0.51 -2.29 0.09 0.00 0.00 0.00 0.00 23.12 20.40 2ksy s ALA 236 CO 0.59 -1.51 0.08 0.08 0.00 0.00 0.00 175.76 175.00 2ksy s VAL 237 N 2.84 2.77 -0.29 0.00 1.01 -1.26 -5.05 120.40 120.42 2ksy s VAL 237 Ca 0.17 -2.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.01 2ksy s VAL 237 Cb -0.13 -2.86 0.13 0.00 0.00 0.00 0.00 36.38 33.52 2ksy s VAL 237 CO -0.23 -0.49 0.82 0.00 0.00 0.00 0.00 175.10 175.20 2ksy s ALA 238 N 1.07 -2.23 0.47 5.51 0.00 -1.26 -5.16 121.76 120.16 2ksy s ALA 238 Ca 0.05 2.26 -0.21 0.00 0.00 0.00 0.00 51.96 54.07 2ksy s ALA 238 Cb -0.21 -1.75 -0.09 0.00 0.00 0.00 0.00 23.12 21.07 2ksy s ALA 238 CO -0.05 -0.68 1.02 0.16 0.00 0.00 0.00 175.76 176.20 2ksy s ASP 239 N 2.16 6.53 -0.17 0.00 -4.77 -1.26 -4.99 116.67 114.17 2ksy s ASP 239 Ca -0.07 1.87 0.03 0.00 -3.30 0.00 0.00 52.55 51.09 2ksy s ASP 239 Cb -0.07 -2.56 -0.22 0.00 -1.09 0.00 0.00 42.92 38.98 2ksy s ASP 239 CO -0.18 -0.65 0.17 0.18 0.70 0.00 0.00 175.17 175.39 2ksy n LEU 240 N -0.82 2.05 -2.67 2.11 4.77 -1.26 -5.08 117.00 116.10 2ksy n LEU 240 Ca 0.08 0.10 -0.03 0.00 -0.03 0.00 0.00 56.01 56.13 2ksy n LEU 240 Cb 0.53 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 2ksy n LEU 240 CO 0.39 0.75 -0.59 1.21 -1.33 0.00 0.00 177.39 177.83 2ksy n GLU 241 N -3.22 -4.03 -3.78 3.23 4.07 -1.26 -5.07 120.64 110.58 2ksy n GLU 241 Ca -0.34 3.11 -0.13 0.00 -0.06 0.00 0.00 57.16 59.74 2ksy n GLU 241 Cb 1.05 -5.19 -0.10 0.00 -0.06 0.00 0.00 31.44 27.14 2ksy n GLU 241 CO 0.00 0.00 0.00 -3.38 -0.06 0.00 0.00 177.13 173.69 2ksy s HIS 242 N -1.16 -0.23 1.08 4.31 -3.43 -1.26 -5.17 115.29 109.43 2ksy s HIS 242 Ca -0.14 0.50 -0.17 0.00 -0.80 0.00 0.00 55.06 54.45 2ksy s HIS 242 Cb 0.01 0.09 0.23 0.00 -1.43 0.00 0.00 32.58 31.48 2ksy s HIS 242 CO 0.78 -0.26 1.16 -1.01 -2.00 0.00 0.00 174.74 173.42 2ksy s HIS 243 N -0.56 1.27 -0.13 0.38 3.76 -1.26 -5.02 115.29 113.73 2ksy s HIS 243 Ca -0.07 0.57 -0.11 0.00 -0.15 0.00 0.00 55.06 55.30 2ksy s HIS 243 Cb -0.04 -3.57 -0.09 0.00 1.11 0.00 0.00 32.58 29.99 2ksy s HIS 243 CO 0.02 -3.23 0.19 0.45 -0.85 0.00 0.00 174.74 171.32 2ksy h HIS 244 N -2.11 0.00 -3.43 1.40 3.86 -2.04 -3.46 115.15 109.38 2ksy h HIS 244 Ca -0.47 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.20 2ksy h HIS 244 Cb 1.29 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.73 2ksy h HIS 244 CO -1.21 0.40 0.03 -1.58 0.86 0.00 0.00 177.93 176.42 2ksy s HIS 245 N -1.91 3.68 0.00 2.45 5.65 -1.26 -5.03 115.29 118.86 2ksy s HIS 245 Ca -0.10 1.28 0.00 0.00 0.25 0.00 0.00 55.06 56.49 2ksy s HIS 245 Cb 0.00 -2.53 0.00 0.00 -1.18 0.00 0.00 32.58 28.87 2ksy s HIS 245 CO 0.27 0.42 0.90 1.58 -0.65 0.00 0.00 174.74 177.26 2ksy n HIS 246 N 0.96 0.00 1.77 3.88 -0.00 -1.26 -5.21 115.22 115.36 2ksy n HIS 246 Ca -0.05 0.00 0.15 0.00 0.46 0.00 0.00 57.72 58.28 2ksy n HIS 246 Cb 0.51 -0.40 0.75 0.00 -0.12 0.00 0.00 29.99 30.73 2ksy n HIS 246 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38