#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 1.66 1.12 3.14 -1.26 -4.70 118.33 118.29 2ksy n VAL 2 Ca 0.00 0.00 0.14 0.00 -2.96 0.00 0.00 64.34 61.52 2ksy n VAL 2 Cb 0.00 -0.22 0.81 0.00 -1.06 0.00 0.00 33.84 33.37 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 1.87 -0.98 0.17 7.55 0.00 -1.26 -3.28 105.19 109.26 2ksy n GLY 3 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 0.52 -1.86 0.99 5.85 -2.00 -3.16 115.31 115.64 2ksy h LEU 4 Ca 0.00 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 2ksy h LEU 4 Cb 0.07 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 2ksy h LEU 4 CO 0.00 1.14 -0.03 0.71 -0.34 0.00 0.00 178.44 179.91 2ksy h THR 5 N 0.27 1.05 -0.80 1.05 1.35 -1.85 -2.15 112.91 111.84 2ksy h THR 5 Ca -0.05 -0.19 0.14 0.00 -0.55 0.00 0.00 66.41 65.75 2ksy h THR 5 Cb 1.41 1.06 -0.06 0.00 -1.73 0.00 0.00 68.15 68.84 2ksy h THR 5 CO 0.14 0.06 0.53 0.71 -0.25 0.00 0.00 175.52 176.70 2ksy h THR 6 N 0.04 0.83 0.03 6.82 1.35 -1.75 -1.94 112.91 118.28 2ksy h THR 6 Ca 0.01 -0.19 0.02 0.00 -0.55 0.00 0.00 66.41 65.70 2ksy h THR 6 Cb 0.09 0.24 -0.03 0.00 -1.73 0.00 0.00 68.15 66.72 2ksy h THR 6 CO 0.00 0.10 -0.15 -0.07 -0.25 0.00 0.00 175.52 175.16 2ksy h LEU 7 N 0.55 -0.43 -1.39 3.87 -0.00 -1.56 -0.37 115.31 115.99 2ksy h LEU 7 Ca 0.39 0.06 -0.05 0.00 -0.00 0.00 0.00 57.88 58.28 2ksy h LEU 7 Cb 0.74 0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.56 2ksy h LEU 7 CO -0.15 -0.21 -0.14 -0.26 -0.00 0.00 0.00 178.44 177.68 2ksy h PHE 8 N -0.26 0.24 -0.54 1.13 0.04 -1.52 -2.05 116.94 113.97 2ksy h PHE 8 Ca 0.04 -0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.71 2ksy h PHE 8 Cb 0.31 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 2ksy h PHE 8 CO -0.19 0.37 0.05 -1.49 -0.60 0.00 0.00 178.31 176.45 2ksy h TRP 9 N 0.21 0.99 -0.13 -0.55 -0.00 -0.72 -0.62 115.95 115.12 2ksy h TRP 9 Ca 0.04 -0.15 -0.08 0.00 -0.00 0.00 0.00 58.89 58.70 2ksy h TRP 9 Cb 0.39 -0.27 -0.01 0.00 -0.00 0.00 0.00 29.16 29.27 2ksy h TRP 9 CO 0.01 0.89 -0.30 -0.07 -0.00 0.00 0.00 178.44 178.97 2ksy h LEU 10 N 0.81 0.26 -0.71 -4.49 3.38 -0.68 -2.32 115.31 111.56 2ksy h LEU 10 Ca 0.16 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 2ksy h LEU 10 Cb 0.46 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2ksy h LEU 10 CO 0.02 0.55 -0.53 1.23 0.09 0.00 0.00 178.44 179.80 2ksy h GLY 11 N 1.04 0.00 1.68 0.83 0.00 -0.92 -2.75 103.07 102.95 2ksy h GLY 11 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.19 2ksy h GLY 11 CO 0.05 0.00 -0.73 0.00 0.00 0.00 0.00 176.54 175.86 2ksy h ALA 12 N 1.47 0.65 0.25 3.60 0.00 -0.61 -1.82 119.26 122.80 2ksy h ALA 12 Ca -0.01 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 2ksy h ALA 12 Cb 1.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2ksy h ALA 12 CO 0.07 0.79 -0.12 0.82 0.00 0.00 0.00 179.25 180.80 2ksy h ILE 13 N 0.21 0.77 -1.00 0.00 1.08 -1.34 -0.80 117.51 116.42 2ksy h ILE 13 Ca -0.03 -0.73 0.03 0.00 -0.39 0.00 0.00 64.86 63.74 2ksy h ILE 13 Cb 1.29 1.15 -0.06 0.00 -3.07 0.00 0.00 36.82 36.14 2ksy h ILE 13 CO 0.12 0.15 0.66 1.23 -0.69 0.00 0.00 178.15 179.61 2ksy h GLY 14 N -0.75 1.45 0.99 5.37 0.00 -1.56 -1.94 103.07 106.62 2ksy h GLY 14 Ca -0.03 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 2ksy h GLY 14 CO 0.06 0.46 0.28 1.98 0.00 0.00 0.00 176.54 179.32 2ksy h MET 15 N 1.31 0.80 -0.91 4.80 1.85 -1.32 -2.09 114.93 119.37 2ksy h MET 15 Ca 0.39 -0.11 0.11 0.00 -0.61 0.00 0.00 59.70 59.48 2ksy h MET 15 Cb -0.06 -0.15 -0.07 0.00 0.43 0.00 0.00 31.60 31.75 2ksy h MET 15 CO -0.11 0.64 0.59 1.25 -0.40 0.00 0.00 176.91 178.88 2ksy h LEU 16 N 0.76 0.78 -0.69 3.39 5.85 -0.40 0.50 115.31 125.51 2ksy h LEU 16 Ca 0.19 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 2ksy h LEU 16 Cb 0.09 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2ksy h LEU 16 CO -0.03 0.44 0.35 0.58 -0.34 0.00 0.00 178.44 179.44 2ksy h VAL 17 N 0.85 1.23 -0.46 1.05 2.07 -0.83 -2.42 116.25 117.74 2ksy h VAL 17 Ca 0.44 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 2ksy h VAL 17 Cb 0.51 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2ksy h VAL 17 CO -0.20 0.26 -0.00 1.23 0.02 0.00 0.00 177.57 178.87 2ksy h GLY 18 N 0.96 0.88 0.21 2.17 0.00 -0.68 -1.12 103.07 105.49 2ksy h GLY 18 Ca 0.24 -0.65 0.08 0.00 0.00 0.00 0.00 47.33 47.00 2ksy h GLY 18 CO -0.03 0.60 -0.09 -0.84 0.00 0.00 0.00 176.54 176.18 2ksy h THR 19 N 0.66 0.61 -0.14 4.70 2.02 -0.66 -0.26 112.91 119.83 2ksy h THR 19 Ca 0.13 -0.01 -0.17 0.00 0.77 0.00 0.00 66.41 67.14 2ksy h THR 19 Cb 0.51 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2ksy h THR 19 CO 0.02 0.00 -0.61 -0.07 0.37 0.00 0.00 175.52 175.24 2ksy h LEU 20 N 0.01 0.55 -1.36 2.58 3.38 -1.39 -1.02 115.31 118.05 2ksy h LEU 20 Ca 0.20 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2ksy h LEU 20 Cb 0.30 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2ksy h LEU 20 CO -0.41 1.03 0.14 0.00 0.09 0.00 0.00 178.44 179.29 2ksy h ALA 21 N 0.98 1.50 0.00 1.53 0.00 -0.29 0.66 119.26 123.64 2ksy h ALA 21 Ca -0.01 -0.13 -0.29 0.00 0.00 0.00 0.00 54.91 54.49 2ksy h ALA 21 Cb 1.15 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2ksy h ALA 21 CO 0.11 0.38 -1.70 0.74 0.00 0.00 0.00 179.25 178.78 2ksy h PHE 22 N 0.56 0.02 0.00 0.00 0.04 -1.04 -3.23 116.94 113.29 2ksy h PHE 22 Ca 0.14 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 2ksy h PHE 22 Cb 0.15 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 2ksy h PHE 22 CO 0.01 1.03 -0.00 0.00 -0.60 0.00 0.00 178.31 178.74 2ksy h ALA 23 N 0.97 -0.00 -0.64 2.45 0.00 -0.97 -1.06 119.26 120.02 2ksy h ALA 23 Ca -0.28 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 2ksy h ALA 23 Cb 2.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 2ksy h ALA 23 CO 0.08 -0.18 0.39 2.35 0.00 0.00 0.00 179.25 181.90 2ksy h TRP 24 N -0.65 0.83 0.00 0.00 2.91 -1.06 -0.93 115.95 117.06 2ksy h TRP 24 Ca -0.00 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.96 2ksy h TRP 24 Cb 0.64 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 29.01 2ksy h TRP 24 CO 0.15 0.55 -0.32 0.00 -1.03 0.00 0.00 178.44 177.80 2ksy h ALA 25 N 1.21 0.97 -0.07 2.65 0.00 -1.63 -3.10 119.26 119.29 2ksy h ALA 25 Ca 0.23 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 2ksy h ALA 25 Cb -0.04 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.70 2ksy h ALA 25 CO -0.04 0.40 -0.50 0.78 0.00 0.00 0.00 179.25 179.89 2ksy h GLY 26 N 2.23 0.51 2.00 0.00 0.00 -0.46 -2.59 103.07 104.76 2ksy h GLY 26 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.57 2ksy h GLY 26 CO 0.04 0.67 0.00 3.21 0.00 0.00 0.00 176.54 180.46 2ksy h ARG 27 N 0.01 0.00 0.00 4.80 3.08 -1.19 -1.29 114.38 119.79 2ksy h ARG 27 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2ksy h ARG 27 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2ksy h ARG 27 CO 0.10 0.00 -1.11 -3.47 -1.07 0.00 0.00 179.97 174.42 2ksy n ASP 28 N -2.73 0.69 -3.44 7.04 -0.08 -1.17 -4.80 116.55 112.06 2ksy n ASP 28 Ca -0.00 0.19 -0.15 0.00 -1.51 0.00 0.00 54.79 53.32 2ksy n ASP 28 Cb 0.18 0.68 -0.11 0.00 2.34 0.00 0.00 41.12 44.21 2ksy n ASP 28 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ksy s ALA 29 N -3.34 -0.58 0.00 -1.67 0.00 -0.49 -5.10 121.76 110.57 2ksy s ALA 29 Ca -0.00 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.46 2ksy s ALA 29 Cb 0.11 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.78 2ksy s ALA 29 CO 0.80 -1.23 0.00 0.41 0.00 0.00 0.00 175.76 175.74 2ksy n GLY 30 N 5.34 4.43 5.12 0.00 0.00 -1.23 -4.35 105.19 114.49 2ksy n GLY 30 Ca -0.05 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2ksy n GLY 30 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ksy n SER 31 N 0.00 0.00 0.02 1.61 2.88 -1.26 -1.13 113.62 115.74 2ksy n SER 31 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2ksy n SER 31 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 2ksy n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ksy n GLY 32 N 0.00 -1.20 0.09 0.46 0.00 -1.26 -4.09 105.19 99.20 2ksy n GLY 32 Ca 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.88 2ksy n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ksy n GLU 33 N -2.69 0.62 -0.33 1.61 -0.58 -0.28 -4.17 120.64 114.81 2ksy n GLU 33 Ca -0.09 0.07 0.33 0.00 -0.42 0.00 0.00 57.16 57.04 2ksy n GLU 33 Cb 0.75 -1.77 0.69 0.00 -0.57 0.00 0.00 31.44 30.55 2ksy n GLU 33 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2ksy h ARG 34 N 0.00 0.09 -0.05 3.49 2.43 -1.69 0.87 114.38 119.51 2ksy h ARG 34 Ca -0.01 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2ksy h ARG 34 Cb 1.02 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.54 2ksy h ARG 34 CO 0.00 0.06 0.03 -0.09 -1.51 0.00 0.00 179.97 178.46 2ksy h ARG 35 N 0.09 0.07 -0.28 0.20 2.43 -1.82 0.01 114.38 115.09 2ksy h ARG 35 Ca 0.59 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.60 2ksy h ARG 35 Cb 2.13 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.66 2ksy h ARG 35 CO -0.09 0.11 -0.44 1.88 -1.51 0.00 0.00 179.97 179.92 2ksy h TYR 36 N 0.01 0.85 0.35 2.20 0.05 -1.15 -2.60 116.97 116.68 2ksy h TYR 36 Ca 0.02 -0.26 -0.02 0.00 0.05 0.00 0.00 58.73 58.52 2ksy h TYR 36 Cb 0.06 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.63 2ksy h TYR 36 CO -0.05 1.01 -0.17 1.88 -1.05 0.00 0.00 178.16 179.78 2ksy h TYR 37 N 0.57 -0.43 -0.88 4.88 0.05 -1.14 -1.55 116.97 118.46 2ksy h TYR 37 Ca 0.04 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.89 2ksy h TYR 37 Cb 0.98 0.14 -0.06 0.00 1.01 0.00 0.00 36.73 38.80 2ksy h TYR 37 CO 0.05 -0.12 0.57 0.28 -1.05 0.00 0.00 178.16 177.89 2ksy h VAL 38 N -0.75 1.01 0.09 -2.88 2.07 -1.06 0.07 116.25 114.80 2ksy h VAL 38 Ca -0.05 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 2ksy h VAL 38 Cb 0.51 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2ksy h VAL 38 CO 0.08 0.17 -0.04 0.74 0.02 0.00 0.00 177.57 178.54 2ksy h THR 39 N 0.94 0.97 0.04 2.57 2.02 -1.38 -0.55 112.91 117.51 2ksy h THR 39 Ca 0.40 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.39 2ksy h THR 39 Cb 0.31 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2ksy h THR 39 CO -0.16 0.05 -0.03 0.25 0.37 0.00 0.00 175.52 176.00 2ksy h LEU 40 N -0.20 -0.07 -1.57 2.58 5.85 -0.61 -1.96 115.31 119.33 2ksy h LEU 40 Ca -0.01 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.82 2ksy h LEU 40 Cb 0.17 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 2ksy h LEU 40 CO 0.02 -0.05 0.44 0.58 -0.34 0.00 0.00 178.44 179.09 2ksy h VAL 41 N -0.07 0.90 -0.61 1.05 2.07 -0.95 -1.24 116.25 117.40 2ksy h VAL 41 Ca -0.00 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2ksy h VAL 41 Cb 0.06 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 2ksy h VAL 41 CO -0.00 0.09 0.36 1.23 0.02 0.00 0.00 177.57 179.27 2ksy h GLY 42 N 0.47 0.89 0.86 2.17 0.00 -0.32 -1.70 103.07 105.44 2ksy h GLY 42 Ca 0.30 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2ksy h GLY 42 CO -0.09 0.36 -0.11 -2.22 0.00 0.00 0.00 176.54 174.48 2ksy h ILE 43 N 0.82 0.75 -0.02 2.60 2.04 -0.90 -1.82 117.51 120.98 2ksy h ILE 43 Ca 0.22 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.09 2ksy h ILE 43 Cb -0.02 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2ksy h ILE 43 CO -0.04 0.00 0.02 0.28 0.00 0.00 0.00 178.15 178.41 2ksy h SER 44 N -0.24 0.00 0.21 1.72 0.02 -1.32 -2.12 113.55 111.82 2ksy h SER 44 Ca 0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2ksy h SER 44 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2ksy h SER 44 CO -0.03 0.00 -0.10 1.23 -1.14 0.00 0.00 176.83 176.79 2ksy h GLY 45 N 0.00 -0.29 1.24 -3.77 0.00 -0.56 -2.50 103.07 97.19 2ksy h GLY 45 Ca 0.01 0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.49 2ksy h GLY 45 CO -0.00 -0.11 0.41 0.16 0.00 0.00 0.00 176.54 177.00 2ksy h ILE 46 N -0.97 1.05 -0.04 2.60 3.07 -1.24 -2.56 117.51 119.43 2ksy h ILE 46 Ca -0.03 -0.24 -0.01 0.00 1.55 0.00 0.00 64.86 66.14 2ksy h ILE 46 Cb 0.45 0.30 -0.00 0.00 -0.27 0.00 0.00 36.82 37.30 2ksy h ILE 46 CO 0.05 0.13 -0.01 0.00 -1.05 0.00 0.00 178.15 177.27 2ksy h ALA 47 N 1.65 0.06 -0.69 0.16 0.00 -1.47 -2.53 119.26 116.43 2ksy h ALA 47 Ca 0.26 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.08 2ksy h ALA 47 Cb 0.15 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 2ksy h ALA 47 CO -0.07 -0.25 0.32 0.00 0.00 0.00 0.00 179.25 179.25 2ksy h ALA 48 N 0.67 0.95 -0.20 0.00 0.00 -1.05 -0.24 119.26 119.38 2ksy h ALA 48 Ca 0.01 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2ksy h ALA 48 Cb 0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2ksy h ALA 48 CO 0.00 -0.10 -0.33 -0.39 0.00 0.00 0.00 179.25 178.43 2ksy h VAL 49 N 0.54 1.29 -0.37 0.00 -1.51 -1.49 -2.22 116.25 112.48 2ksy h VAL 49 Ca 0.35 -1.41 -0.11 0.00 -1.23 0.00 0.00 66.70 64.30 2ksy h VAL 49 Cb 0.40 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 2ksy h VAL 49 CO -0.29 0.44 -0.21 0.00 -1.23 0.00 0.00 177.57 176.28 2ksy h ALA 50 N 1.28 0.92 -0.41 5.19 0.00 -0.75 -1.74 119.26 123.75 2ksy h ALA 50 Ca 0.04 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 2ksy h ALA 50 Cb 0.77 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2ksy h ALA 50 CO 0.06 0.62 -0.27 1.88 0.00 0.00 0.00 179.25 181.53 2ksy h TYR 51 N 0.64 1.01 0.05 0.00 0.05 -0.88 -1.49 116.97 116.36 2ksy h TYR 51 Ca 0.09 -0.26 -0.00 0.00 0.05 0.00 0.00 58.73 58.61 2ksy h TYR 51 Cb 0.71 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.22 2ksy h TYR 51 CO 0.03 1.04 -0.03 0.00 -1.05 0.00 0.00 178.16 178.16 2ksy h ALA 52 N 0.94 -0.07 -0.20 3.88 0.00 -1.23 0.87 119.26 123.44 2ksy h ALA 52 Ca 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ksy h ALA 52 Cb 0.83 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2ksy h ALA 52 CO 0.07 -0.42 0.12 -0.39 0.00 0.00 0.00 179.25 178.64 2ksy h VAL 53 N -0.32 1.08 -0.13 0.00 -1.51 -1.31 -0.23 116.25 113.82 2ksy h VAL 53 Ca -0.01 -0.19 -0.03 0.00 -1.23 0.00 0.00 66.70 65.25 2ksy h VAL 53 Cb 0.29 0.84 -0.01 0.00 -2.13 0.00 0.00 31.29 30.28 2ksy h VAL 53 CO 0.01 0.08 -0.04 0.24 -1.23 0.00 0.00 177.57 176.63 2ksy h MET 54 N 0.25 0.19 0.00 5.19 2.07 -1.27 -0.56 114.93 120.80 2ksy h MET 54 Ca 0.07 -0.03 -0.03 0.00 -2.07 0.00 0.00 59.70 57.64 2ksy h MET 54 Cb 0.02 -0.03 -0.00 0.00 -1.87 0.00 0.00 31.60 29.71 2ksy h MET 54 CO -0.01 0.25 -0.16 0.00 1.07 0.00 0.00 176.91 178.06 2ksy h ALA 55 N 1.78 0.99 -0.00 6.32 0.00 0.08 -2.68 119.26 125.75 2ksy h ALA 55 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2ksy h ALA 55 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2ksy h ALA 55 CO 0.01 0.20 -0.20 1.28 0.00 0.00 0.00 179.25 180.53 2ksy n LEU 56 N -3.26 0.70 0.00 0.00 4.77 -0.18 -4.76 117.00 114.27 2ksy n LEU 56 Ca 0.01 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 2ksy n LEU 56 Cb 0.43 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2ksy n LEU 56 CO 0.32 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2ksy n GLY 57 N 1.33 2.31 3.77 -0.72 0.00 -1.01 -5.03 105.19 105.84 2ksy n GLY 57 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 2ksy n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ksy s VAL 58 N -2.27 3.01 0.00 1.61 0.11 -1.13 -2.79 120.40 118.94 2ksy s VAL 58 Ca 0.00 0.95 0.00 0.00 -2.93 0.00 0.00 61.98 60.00 2ksy s VAL 58 Cb 0.00 -3.58 0.00 0.00 -1.53 0.00 0.00 36.38 31.27 2ksy s VAL 58 CO 0.00 0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.55 2ksy n GLY 59 N 0.81 0.94 3.61 6.54 0.00 -1.26 -4.21 105.19 111.63 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 -2.55 2.92 -0.13 1.61 0.52 -1.12 -2.38 118.94 117.80 2ksy s TRP 60 Ca 0.00 0.85 0.00 0.00 0.02 0.00 0.00 56.10 56.98 2ksy s TRP 60 Cb 0.00 -4.21 -0.01 0.00 -1.15 0.00 0.00 33.47 28.10 2ksy s TRP 60 CO 0.00 -1.12 -0.14 0.54 0.02 0.00 0.00 176.95 176.25 2ksy s VAL 61 N 4.21 2.89 0.59 4.03 0.11 -0.92 -5.03 120.40 126.28 2ksy s VAL 61 Ca 0.47 -0.71 -0.15 0.00 -2.93 0.00 0.00 61.98 58.66 2ksy s VAL 61 Cb -0.09 -2.21 -0.04 0.00 -1.53 0.00 0.00 36.38 32.51 2ksy s VAL 61 CO 0.27 0.52 1.04 -2.16 -3.33 0.00 0.00 175.10 171.44 2ksy s PRO 62 N 0.48 3.44 -0.36 1.54 0.04 -1.26 -2.42 135.00 136.46 2ksy s PRO 62 Ca -0.10 1.06 0.01 0.00 0.04 0.00 0.00 61.00 62.01 2ksy s PRO 62 Cb -0.16 -2.06 0.15 0.00 0.04 0.00 0.00 34.50 32.47 2ksy s PRO 62 CO 0.05 -0.70 0.28 0.08 0.04 0.00 0.00 177.00 176.75 2ksy s VAL 63 N -2.66 -0.05 0.00 -0.36 1.01 0.59 -4.87 120.40 114.06 2ksy s VAL 63 Ca 0.61 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2ksy s VAL 63 Cb -0.14 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.31 2ksy s VAL 63 CO 0.40 -0.84 0.00 0.00 0.00 0.00 0.00 175.10 174.66 2ksy n ALA 64 N 4.09 0.00 0.00 5.51 0.00 -1.26 -0.15 120.51 128.71 2ksy n ALA 64 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 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 0.39 0.00 0.00 0.00 177.50 177.89 2ksy n GLU 65 N 0.00 1.63 -3.65 0.00 1.02 -1.26 -5.05 120.64 113.33 2ksy n GLU 65 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 2ksy n GLU 65 Cb 0.00 -0.88 -0.01 0.00 -0.02 0.00 0.00 31.44 30.53 2ksy n GLU 65 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2ksy s ARG 66 N -1.73 3.21 -0.05 3.49 1.81 0.79 -5.12 118.95 121.34 2ksy s ARG 66 Ca 0.00 -0.94 0.04 0.00 -1.72 0.00 0.00 55.73 53.11 2ksy s ARG 66 Cb 0.00 -2.83 -0.00 0.00 -0.45 0.00 0.00 34.95 31.67 2ksy s ARG 66 CO 0.00 0.19 -0.17 0.99 -0.68 0.00 0.00 175.30 175.63 2ksy s THR 67 N -2.12 1.45 0.04 0.02 2.01 -1.26 -0.30 115.64 115.48 2ksy s THR 67 Ca 0.41 -0.71 0.08 0.00 0.31 0.00 0.00 61.69 61.78 2ksy s THR 67 Cb -0.09 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 2ksy s THR 67 CO 0.30 0.42 -0.22 0.68 -0.69 0.00 0.00 174.62 175.11 2ksy s VAL 68 N 0.17 1.80 -0.31 3.82 -7.23 -1.01 -4.87 120.40 112.77 2ksy s VAL 68 Ca -0.07 -1.25 -0.05 0.00 -1.81 0.00 0.00 61.98 58.79 2ksy s VAL 68 Cb -0.13 -1.56 0.03 0.00 0.56 0.00 0.00 36.38 35.28 2ksy s VAL 68 CO 0.03 0.25 0.06 -0.36 -0.31 0.00 0.00 175.10 174.78 2ksy s PHE 69 N -0.80 3.20 0.06 2.82 0.08 -1.26 -2.18 117.98 119.90 2ksy s PHE 69 Ca 0.09 -1.35 -0.21 0.00 0.12 0.00 0.00 56.93 55.58 2ksy s PHE 69 Cb -0.09 -2.22 -0.12 0.00 -0.57 0.00 0.00 43.02 40.02 2ksy s PHE 69 CO 0.02 -0.69 1.50 0.28 -0.10 0.00 0.00 175.22 176.23 2ksy h VAL 70 N 6.10 1.25 -0.06 -0.44 2.07 -1.84 -2.71 116.25 120.62 2ksy h VAL 70 Ca -0.27 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.45 2ksy h VAL 70 Cb 1.10 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2ksy h VAL 70 CO 0.59 0.24 0.16 1.55 0.02 0.00 0.00 177.57 180.13 2ksy h PRO 71 N 0.03 0.00 0.07 1.57 0.13 -1.89 0.41 132.00 132.32 2ksy h PRO 71 Ca 0.05 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2ksy h PRO 71 Cb 0.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.49 2ksy h PRO 71 CO 0.01 0.00 -0.03 -0.09 -0.23 0.00 0.00 178.00 177.65 2ksy h ARG 72 N 0.00 -0.09 -0.30 0.86 2.43 -1.84 -2.07 114.38 113.37 2ksy h ARG 72 Ca 0.03 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2ksy h ARG 72 Cb 0.34 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2ksy h ARG 72 CO -0.00 0.47 0.07 1.88 -1.51 0.00 0.00 179.97 180.89 2ksy h TYR 73 N -0.89 0.51 -0.63 2.20 0.05 -1.18 -2.36 116.97 114.67 2ksy h TYR 73 Ca -0.01 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 2ksy h TYR 73 Cb 0.60 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.17 2ksy h TYR 73 CO 0.14 0.55 0.36 0.97 -1.05 0.00 0.00 178.16 179.13 2ksy h ILE 74 N 0.33 1.18 -0.79 -2.88 -0.00 -1.07 -0.94 117.51 113.34 2ksy h ILE 74 Ca 0.10 -0.42 0.00 0.00 -0.00 0.00 0.00 64.86 64.54 2ksy h ILE 74 Cb 0.29 0.31 -0.04 0.00 -0.00 0.00 0.00 36.82 37.39 2ksy h ILE 74 CO 0.00 0.19 0.50 -0.78 -0.00 0.00 0.00 178.15 178.06 2ksy h ASP 75 N 0.86 0.92 0.38 2.19 3.58 -1.01 -0.37 116.42 122.98 2ksy h ASP 75 Ca 0.22 -0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.57 2ksy h ASP 75 Cb -0.01 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 2ksy h ASP 75 CO -0.04 0.69 -0.33 -0.50 -2.88 0.00 0.00 179.24 176.18 2ksy h TRP 76 N 1.07 0.00 -0.01 0.28 6.55 -0.68 0.67 115.95 123.83 2ksy h TRP 76 Ca 0.29 0.00 -0.13 0.00 0.95 0.00 0.00 58.89 59.99 2ksy h TRP 76 Cb -0.09 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.20 2ksy h TRP 76 CO 0.00 0.33 -0.62 0.82 -1.05 0.00 0.00 178.44 177.92 2ksy h ILE 77 N 0.00 1.44 0.00 1.49 2.04 -0.48 0.32 117.51 122.32 2ksy h ILE 77 Ca -0.00 -2.11 0.00 0.00 1.00 0.00 0.00 64.86 63.74 2ksy h ILE 77 Cb 0.61 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 2ksy h ILE 77 CO 0.04 0.61 -0.99 0.18 0.00 0.00 0.00 178.15 177.99 2ksy n LEU 78 N -3.81 0.66 -0.13 1.44 4.77 -0.77 -4.32 117.00 114.85 2ksy n LEU 78 Ca -0.01 0.15 -0.26 0.00 -0.03 0.00 0.00 56.01 55.86 2ksy n LEU 78 Cb 0.62 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 2ksy n LEU 78 CO 0.42 -0.05 -1.36 0.35 -1.33 0.00 0.00 177.39 175.42 2ksy n THR 79 N -2.24 1.38 0.04 -5.08 -2.24 0.17 -4.29 114.28 102.02 2ksy n THR 79 Ca 0.01 -0.37 -0.11 0.00 -2.27 0.00 0.00 64.05 61.31 2ksy n THR 79 Cb 0.48 -1.79 -0.04 0.00 -2.10 0.00 0.00 70.33 66.88 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 -0.81 0.36 0.00 4.28 2.02 -1.15 0.58 112.91 118.19 2ksy h THR 80 Ca -0.63 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.55 2ksy h THR 80 Cb 1.58 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 2ksy h THR 80 CO -0.36 0.00 0.00 -0.65 0.37 0.00 0.00 175.52 174.88 2ksy h PRO 81 N -0.40 0.00 0.04 6.66 0.11 -1.75 -1.21 132.00 135.45 2ksy h PRO 81 Ca 0.08 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.94 2ksy h PRO 81 Cb 0.51 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.63 2ksy h PRO 81 CO -0.27 0.00 -1.05 1.25 -0.21 0.00 0.00 178.00 177.72 2ksy h LEU 82 N 0.00 0.60 0.16 2.35 5.85 -1.12 -1.94 115.31 121.20 2ksy h LEU 82 Ca 0.00 -0.51 -0.01 0.00 0.84 0.00 0.00 57.88 58.20 2ksy h LEU 82 Cb 0.06 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.90 2ksy h LEU 82 CO 0.00 1.33 -0.07 0.40 -0.34 0.00 0.00 178.44 179.75 2ksy h ILE 83 N 0.22 0.98 -0.31 4.05 1.08 -0.08 -1.89 117.51 121.58 2ksy h ILE 83 Ca -0.11 -0.80 0.01 0.00 -0.39 0.00 0.00 64.86 63.57 2ksy h ILE 83 Cb 1.71 1.46 -0.02 0.00 -3.07 0.00 0.00 36.82 36.90 2ksy h ILE 83 CO 0.18 0.18 0.20 -0.37 -0.69 0.00 0.00 178.15 177.66 2ksy h VAL 84 N -0.61 1.05 -0.39 1.67 -1.51 -1.58 0.11 116.25 114.99 2ksy h VAL 84 Ca -0.02 -0.13 -0.03 0.00 -1.23 0.00 0.00 66.70 65.29 2ksy h VAL 84 Cb 0.46 0.65 -0.02 0.00 -2.13 0.00 0.00 31.29 30.25 2ksy h VAL 84 CO 0.04 0.07 0.11 0.22 -1.23 0.00 0.00 177.57 176.77 2ksy h TYR 85 N 0.37 0.57 0.16 5.19 3.20 -1.16 -1.40 116.97 123.90 2ksy h TYR 85 Ca 0.12 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 2ksy h TYR 85 Cb 0.03 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.12 2ksy h TYR 85 CO -0.00 0.49 -0.08 0.35 -1.64 0.00 0.00 178.16 177.28 2ksy h PHE 86 N 0.56 -0.20 -0.70 -3.82 3.04 0.06 -1.75 116.94 114.12 2ksy h PHE 86 Ca 0.13 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.12 2ksy h PHE 86 Cb 0.20 0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.73 2ksy h PHE 86 CO 0.01 -0.07 0.46 -0.07 -2.02 0.00 0.00 178.31 176.62 2ksy h LEU 87 N -0.29 0.71 -1.65 0.59 4.07 -1.18 -0.53 115.31 117.03 2ksy h LEU 87 Ca -0.02 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 2ksy h LEU 87 Cb 0.22 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 2ksy h LEU 87 CO 0.04 0.48 -0.20 1.23 -1.08 0.00 0.00 178.44 178.91 2ksy h GLY 88 N 0.82 0.00 1.07 0.83 0.00 -0.79 -2.69 103.07 102.31 2ksy h GLY 88 Ca 0.28 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.41 2ksy h GLY 88 CO -0.08 0.00 -0.74 1.41 0.00 0.00 0.00 176.54 177.12 2ksy h LEU 89 N 0.00 0.83 -0.29 3.11 3.38 -0.23 -0.50 115.31 121.61 2ksy h LEU 89 Ca -0.00 -0.66 0.02 0.00 0.09 0.00 0.00 57.88 57.32 2ksy h LEU 89 Cb 0.40 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2ksy h LEU 89 CO 0.03 1.37 0.15 -0.07 0.09 0.00 0.00 178.44 180.00 2ksy h LEU 90 N 0.36 0.23 -0.05 1.67 3.38 -1.15 -3.02 115.31 116.73 2ksy h LEU 90 Ca -0.06 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 2ksy h LEU 90 Cb 1.39 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 42.12 2ksy h LEU 90 CO 0.15 0.17 -0.70 0.00 0.09 0.00 0.00 178.44 178.15 2ksy h ALA 91 N 1.15 0.16 -0.90 1.53 0.00 -1.57 -3.45 119.26 116.18 2ksy h ALA 91 Ca 0.12 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2ksy h ALA 91 Cb 0.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2ksy h ALA 91 CO -0.08 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.07 2ksy n GLY 92 N 0.91 0.74 2.24 0.00 0.00 -0.23 -4.53 105.19 104.32 2ksy n GLY 92 Ca -0.09 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.28 2ksy n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ksy n LEU 93 N -0.45 0.00 -4.78 0.99 4.32 -1.01 -5.06 117.00 111.01 2ksy n LEU 93 Ca 0.00 -0.72 -0.26 0.00 -0.02 0.00 0.00 56.01 55.01 2ksy n LEU 93 Cb 0.17 -0.65 -0.06 0.00 -1.62 0.00 0.00 43.42 41.26 2ksy n LEU 93 CO 0.00 -1.90 -0.12 -1.81 -1.22 0.00 0.00 177.39 172.35 2ksy s ASP 94 N -3.28 4.46 0.38 -1.43 1.01 -1.26 -4.93 116.67 111.62 2ksy s ASP 94 Ca 0.46 -1.18 0.11 0.00 0.71 0.00 0.00 52.55 52.65 2ksy s ASP 94 Cb -0.05 -0.16 0.89 0.00 1.01 0.00 0.00 42.92 44.62 2ksy s ASP 94 CO 0.36 -0.71 1.88 -1.28 0.21 0.00 0.00 175.17 175.63 2ksy h SER 95 N 1.25 0.57 -0.03 0.27 0.87 -1.99 0.60 113.55 115.09 2ksy h SER 95 Ca -0.42 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.13 2ksy h SER 95 Cb 1.27 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2ksy h SER 95 CO 0.67 0.29 -0.18 0.03 -0.53 0.00 0.00 176.83 177.11 2ksy h ARG 96 N 0.60 0.17 -0.54 2.24 2.47 -1.99 -2.50 114.38 114.82 2ksy h ARG 96 Ca 0.43 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 2ksy h ARG 96 Cb 0.78 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 29.10 2ksy h ARG 96 CO -0.18 0.82 0.35 0.93 0.56 0.00 0.00 179.97 182.45 2ksy h GLU 97 N -0.44 0.71 -0.21 0.04 5.08 -1.79 -2.34 114.58 115.63 2ksy h GLU 97 Ca -0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2ksy h GLU 97 Cb 0.86 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2ksy h GLU 97 CO 0.04 0.48 0.14 0.74 -1.00 0.00 0.00 179.01 179.41 2ksy h PHE 98 N 0.73 0.26 -0.59 4.33 0.04 -0.99 -2.21 116.94 118.52 2ksy h PHE 98 Ca 0.20 0.01 0.13 0.00 2.80 0.00 0.00 57.97 61.11 2ksy h PHE 98 Cb -0.07 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 2ksy h PHE 98 CO -0.03 0.16 0.40 0.78 -0.60 0.00 0.00 178.31 179.02 2ksy h GLY 99 N 0.28 0.33 0.53 -1.45 0.00 -1.06 0.23 103.07 101.92 2ksy h GLY 99 Ca 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2ksy h GLY 99 CO -0.02 0.04 -0.10 -2.22 0.00 0.00 0.00 176.54 174.24 2ksy h ILE 100 N 0.21 0.83 -0.51 2.60 2.04 -0.89 -1.99 117.51 119.80 2ksy h ILE 100 Ca 0.28 -0.86 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 2ksy h ILE 100 Cb 0.81 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 2ksy h ILE 100 CO -0.05 0.17 0.12 0.58 0.00 0.00 0.00 178.15 178.97 2ksy h VAL 101 N -0.76 1.24 0.26 1.67 2.07 -1.13 -2.56 116.25 117.04 2ksy h VAL 101 Ca -0.03 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 2ksy h VAL 101 Cb 0.51 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2ksy h VAL 101 CO 0.05 0.32 -0.13 0.40 0.02 0.00 0.00 177.57 178.23 2ksy h ILE 102 N 0.72 0.79 -0.77 4.57 1.08 -1.05 -2.51 117.51 120.33 2ksy h ILE 102 Ca 0.16 -0.35 0.13 0.00 -0.39 0.00 0.00 64.86 64.40 2ksy h ILE 102 Cb 0.35 0.99 -0.05 0.00 -3.07 0.00 0.00 36.82 35.03 2ksy h ILE 102 CO 0.00 0.08 0.51 0.00 -0.69 0.00 0.00 178.15 178.05 2ksy h THR 103 N -0.53 0.86 -0.05 -0.27 1.03 -1.38 -1.13 112.91 111.43 2ksy h THR 103 Ca -0.04 -0.19 -0.00 0.00 -0.01 0.00 0.00 66.41 66.17 2ksy h THR 103 Cb 0.39 0.25 -0.00 0.00 -1.07 0.00 0.00 68.15 67.73 2ksy h THR 103 CO 0.06 0.10 0.03 0.25 -0.01 0.00 0.00 175.52 175.95 2ksy h LEU 104 N 0.55 0.06 -2.31 0.00 5.85 -1.23 -1.84 115.31 116.39 2ksy h LEU 104 Ca 0.37 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.05 2ksy h LEU 104 Cb 0.67 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 2ksy h LEU 104 CO -0.14 0.10 0.06 0.78 -0.34 0.00 0.00 178.44 178.90 2ksy h ASN 105 N 0.02 0.00 0.29 1.25 -0.26 -0.79 -1.28 115.58 114.81 2ksy h ASN 105 Ca 0.02 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.74 2ksy h ASN 105 Cb 0.05 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 2ksy h ASN 105 CO -0.00 0.00 -0.14 0.74 -1.06 0.00 0.00 177.43 176.97 2ksy h THR 106 N 0.00 0.74 -0.39 2.81 2.02 -0.73 -1.53 112.91 115.83 2ksy h THR 106 Ca 0.03 -0.58 -0.09 0.00 0.77 0.00 0.00 66.41 66.54 2ksy h THR 106 Cb 0.14 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 2ksy h THR 106 CO -0.00 0.12 -0.12 1.62 0.37 0.00 0.00 175.52 177.51 2ksy h VAL 107 N -0.71 1.25 0.61 3.16 3.04 -1.16 -1.61 116.25 120.83 2ksy h VAL 107 Ca -0.04 -1.13 -0.03 0.00 -1.01 0.00 0.00 66.70 64.49 2ksy h VAL 107 Cb 0.48 1.09 0.01 0.00 -2.01 0.00 0.00 31.29 30.86 2ksy h VAL 107 CO 0.06 0.38 -0.29 0.58 -1.01 0.00 0.00 177.57 177.29 2ksy h VAL 108 N 0.62 0.35 -0.16 1.51 2.07 -1.26 -1.29 116.25 118.09 2ksy h VAL 108 Ca 0.11 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2ksy h VAL 108 Cb 0.56 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2ksy h VAL 108 CO 0.04 0.03 0.08 -0.03 0.02 0.00 0.00 177.57 177.70 2ksy h MET 109 N -0.95 0.22 -0.58 1.57 4.05 -1.28 -0.39 114.93 117.57 2ksy h MET 109 Ca -0.08 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.26 2ksy h MET 109 Cb 0.67 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.39 2ksy h MET 109 CO 0.14 0.17 0.13 1.25 0.23 0.00 0.00 176.91 178.82 2ksy h LEU 110 N 0.22 0.86 0.06 3.39 6.46 -1.06 -1.89 115.31 123.35 2ksy h LEU 110 Ca 0.06 -0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.65 2ksy h LEU 110 Cb 0.02 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 39.72 2ksy h LEU 110 CO -0.01 0.85 -0.03 0.00 -0.62 0.00 0.00 178.44 178.63 2ksy h ALA 111 N 1.26 -0.08 -0.43 1.25 0.00 0.13 -2.44 119.26 118.95 2ksy h ALA 111 Ca 0.19 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2ksy h ALA 111 Cb 0.34 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2ksy h ALA 111 CO 0.00 -0.52 0.27 0.78 0.00 0.00 0.00 179.25 179.78 2ksy h GLY 112 N -0.12 0.60 -0.01 0.00 0.00 -1.33 0.21 103.07 102.43 2ksy h GLY 112 Ca -0.01 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.13 2ksy h GLY 112 CO 0.01 0.19 -0.24 -2.75 0.00 0.00 0.00 176.54 173.76 2ksy h PHE 113 N 0.54 -0.69 0.00 5.60 3.04 -1.19 -0.01 116.94 124.22 2ksy h PHE 113 Ca 0.17 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.14 2ksy h PHE 113 Cb -0.02 0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.79 2ksy h PHE 113 CO -0.06 -0.25 0.00 0.00 -2.02 0.00 0.00 178.31 175.98 2ksy h ALA 114 N -1.02 1.00 0.07 2.41 0.00 -1.41 -2.97 119.26 117.35 2ksy h ALA 114 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2ksy h ALA 114 Cb 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2ksy h ALA 114 CO -0.16 0.00 -0.14 0.78 0.00 0.00 0.00 179.25 179.73 2ksy h GLY 115 N 1.01 -0.24 2.00 0.00 0.00 0.14 -2.33 103.07 103.66 2ksy h GLY 115 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2ksy h GLY 115 CO 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 176.54 176.40 2ksy h ALA 116 N 0.62 1.00 -0.03 3.60 0.00 -1.33 -3.26 119.26 119.86 2ksy h ALA 116 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ksy h ALA 116 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2ksy h ALA 116 CO -0.09 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.83 2ksy n MET 117 N -2.31 1.17 -4.29 0.00 2.00 -0.88 -4.83 117.12 107.99 2ksy n MET 117 Ca 0.05 -0.14 -0.24 0.00 0.00 0.00 0.00 57.70 57.36 2ksy n MET 117 Cb 0.40 -1.53 -0.08 0.00 0.00 0.00 0.00 33.22 32.02 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 -1.09 3.40 0.05 2.03 -7.23 -1.23 -5.03 120.40 111.29 2ksy s VAL 118 Ca 0.02 -1.79 0.21 0.00 -1.81 0.00 0.00 61.98 58.61 2ksy s VAL 118 Cb 0.02 -2.76 0.18 0.00 0.56 0.00 0.00 36.38 34.37 2ksy s VAL 118 CO 0.01 -0.27 1.71 1.55 -0.31 0.00 0.00 175.10 177.79 2ksy h PRO 119 N 2.28 0.00 0.00 4.82 0.13 -1.92 -3.48 132.00 133.83 2ksy h PRO 119 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2ksy h PRO 119 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2ksy h PRO 119 CO 0.58 0.31 0.00 0.41 -0.23 0.00 0.00 178.00 179.07 2ksy n GLY 120 N 0.46 3.93 4.79 1.56 0.00 -1.26 -5.01 105.19 109.65 2ksy n GLY 120 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2ksy n GLY 120 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ksy n ILE 121 N -1.37 0.00 0.27 -0.61 2.08 -1.26 -4.53 119.36 113.94 2ksy n ILE 121 Ca 0.00 0.00 0.10 0.00 0.56 0.00 0.00 62.75 63.41 2ksy n ILE 121 Cb 0.00 0.00 0.74 0.00 -0.75 0.00 0.00 39.64 39.63 2ksy n ILE 121 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2ksy h GLU 122 N 0.00 0.00 0.00 0.38 4.39 -1.95 -1.26 114.58 116.14 2ksy h GLU 122 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2ksy h GLU 122 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2ksy h GLU 122 CO 0.00 0.01 -0.01 0.07 -1.16 0.00 0.00 179.01 177.92 2ksy h ARG 123 N 0.00 0.00 -0.09 2.33 0.11 -1.80 -1.42 114.38 113.52 2ksy h ARG 123 Ca -0.00 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.97 2ksy h ARG 123 Cb 0.01 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 2ksy h ARG 123 CO 0.00 0.01 -0.43 1.88 0.10 0.00 0.00 179.97 181.53 2ksy h TYR 124 N 0.00 0.25 0.22 4.08 0.05 -1.56 -1.66 116.97 118.34 2ksy h TYR 124 Ca -0.00 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 2ksy h TYR 124 Cb 0.02 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.71 2ksy h TYR 124 CO 0.00 0.61 -0.10 0.00 -1.05 0.00 0.00 178.16 177.62 2ksy h ALA 125 N 1.38 -0.29 -0.16 3.88 0.00 -1.36 0.07 119.26 122.78 2ksy h ALA 125 Ca 0.01 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2ksy h ALA 125 Cb 0.84 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2ksy h ALA 125 CO 0.07 -0.33 -0.07 -0.07 0.00 0.00 0.00 179.25 178.84 2ksy h LEU 126 N -0.96 -0.24 -0.95 0.00 3.38 -1.54 -1.71 115.31 113.29 2ksy h LEU 126 Ca -0.03 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2ksy h LEU 126 Cb 0.46 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2ksy h LEU 126 CO 0.05 -0.10 -0.07 0.15 0.09 0.00 0.00 178.44 178.56 2ksy h PHE 127 N -0.05 0.74 -0.86 1.13 3.57 -1.42 -2.50 116.94 117.55 2ksy h PHE 127 Ca 0.09 -0.12 0.22 0.00 3.53 0.00 0.00 57.97 61.69 2ksy h PHE 127 Cb 0.18 -0.20 -0.14 0.00 2.79 0.00 0.00 35.95 38.59 2ksy h PHE 127 CO -0.22 0.74 0.24 0.78 -2.23 0.00 0.00 178.31 177.62 2ksy h GLY 128 N 0.96 1.32 1.46 2.40 0.00 -0.03 0.76 103.07 109.93 2ksy h GLY 128 Ca 0.12 -0.04 -0.17 0.00 0.00 0.00 0.00 47.33 47.23 2ksy h GLY 128 CO 0.03 -0.33 -0.60 1.98 0.00 0.00 0.00 176.54 177.61 2ksy h MET 129 N 0.24 0.56 -0.25 4.80 1.85 -1.21 -2.88 114.93 118.04 2ksy h MET 129 Ca 0.53 -0.38 -0.04 0.00 -0.61 0.00 0.00 59.70 59.20 2ksy h MET 129 Cb 1.04 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 33.11 2ksy h MET 129 CO -0.62 1.00 -0.01 0.78 -0.40 0.00 0.00 176.91 177.66 2ksy h GLY 130 N 1.05 0.40 0.30 1.39 0.00 0.73 0.11 103.07 107.05 2ksy h GLY 130 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2ksy h GLY 130 CO 0.11 0.20 -0.06 0.00 0.00 0.00 0.00 176.54 176.80 2ksy h ALA 131 N 1.64 -0.16 -1.00 3.60 0.00 -0.29 0.96 119.26 124.01 2ksy h ALA 131 Ca 0.08 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.82 2ksy h ALA 131 Cb 0.26 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 2ksy h ALA 131 CO 0.01 -0.24 0.65 0.28 0.00 0.00 0.00 179.25 179.95 2ksy h VAL 132 N -0.86 1.06 -0.35 0.00 2.07 -1.45 -0.15 116.25 116.57 2ksy h VAL 132 Ca -0.02 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 2ksy h VAL 132 Cb 0.55 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2ksy h VAL 132 CO 0.03 0.21 -0.21 0.00 0.02 0.00 0.00 177.57 177.61 2ksy h ALA 133 N 1.47 0.97 -0.12 1.67 0.00 -0.81 -2.52 119.26 119.93 2ksy h ALA 133 Ca 0.44 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2ksy h ALA 133 Cb 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2ksy h ALA 133 CO -0.19 0.60 -0.07 0.35 0.00 0.00 0.00 179.25 179.94 2ksy h PHE 134 N 0.59 -0.17 -0.40 0.00 3.57 0.10 -0.64 116.94 119.99 2ksy h PHE 134 Ca 0.09 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.62 2ksy h PHE 134 Cb 0.69 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 2ksy h PHE 134 CO 0.03 -0.11 0.27 0.82 -2.23 0.00 0.00 178.31 177.09 2ksy h ILE 135 N -0.07 1.05 -0.73 1.41 2.04 -1.22 -1.16 117.51 118.83 2ksy h ILE 135 Ca 0.07 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 2ksy h ILE 135 Cb 0.18 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2ksy h ILE 135 CO -0.16 0.09 0.31 1.23 0.00 0.00 0.00 178.15 179.61 2ksy h GLY 136 N 0.47 1.16 0.65 5.37 0.00 -0.72 -0.93 103.07 109.07 2ksy h GLY 136 Ca 0.16 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 2ksy h GLY 136 CO -0.04 0.58 -0.12 -2.00 0.00 0.00 0.00 176.54 174.96 2ksy h LEU 137 N 1.04 -0.29 -1.62 3.11 5.85 -0.14 -2.68 115.31 120.58 2ksy h LEU 137 Ca 0.24 -0.21 0.15 0.00 0.84 0.00 0.00 57.88 58.91 2ksy h LEU 137 Cb 0.19 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 2ksy h LEU 137 CO -0.02 0.07 0.49 -0.37 -0.34 0.00 0.00 178.44 178.27 2ksy h VAL 138 N -0.70 0.80 -0.71 1.05 -1.51 -1.26 0.29 116.25 114.20 2ksy h VAL 138 Ca -0.04 -0.13 0.01 0.00 -1.23 0.00 0.00 66.70 65.31 2ksy h VAL 138 Cb 0.48 0.38 -0.04 0.00 -2.13 0.00 0.00 31.29 29.99 2ksy h VAL 138 CO 0.06 0.07 0.47 0.22 -1.23 0.00 0.00 177.57 177.16 2ksy h TYR 139 N 0.38 0.89 -0.29 5.19 3.20 -1.00 -2.36 116.97 122.98 2ksy h TYR 139 Ca 0.35 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.21 2ksy h TYR 139 Cb 0.84 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 2ksy h TYR 139 CO -0.00 0.55 0.05 1.88 -1.64 0.00 0.00 178.16 179.00 2ksy h TYR 140 N 0.95 0.51 -0.67 -3.82 0.05 -0.12 0.87 116.97 114.74 2ksy h TYR 140 Ca 0.27 -0.07 0.15 0.00 0.05 0.00 0.00 58.73 59.12 2ksy h TYR 140 Cb -0.09 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.47 2ksy h TYR 140 CO -0.03 0.57 0.46 -0.07 -1.05 0.00 0.00 178.16 178.05 2ksy h LEU 141 N 0.30 0.25 -1.22 3.88 4.07 -0.99 -0.23 115.31 121.36 2ksy h LEU 141 Ca 0.09 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.06 2ksy h LEU 141 Cb 0.34 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.04 2ksy h LEU 141 CO 0.01 0.13 -0.16 0.55 -1.08 0.00 0.00 178.44 177.89 2ksy n VAL 142 N -4.44 0.00 0.00 1.22 3.14 -0.92 -3.86 118.33 113.48 2ksy n VAL 142 Ca 0.13 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 2ksy n VAL 142 Cb 0.56 1.25 0.00 0.00 -1.06 0.00 0.00 33.84 34.59 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 0.99 -0.05 0.24 7.55 0.00 0.30 -4.58 105.19 109.64 2ksy n GLY 143 Ca 0.08 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2ksy n GLY 143 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ksy h PRO 144 N 0.00 0.00 0.30 1.61 0.13 -1.84 -3.28 132.00 128.91 2ksy h PRO 144 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2ksy h PRO 144 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 2ksy h PRO 144 CO 0.00 0.18 -0.47 0.52 -0.23 0.00 0.00 178.00 177.99 2ksy h MET 145 N 0.00 -0.80 -0.55 0.86 2.86 -1.83 -0.99 114.93 114.49 2ksy h MET 145 Ca -0.00 0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.80 2ksy h MET 145 Cb 0.62 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 2ksy h MET 145 CO 0.02 -0.53 0.37 0.00 1.06 0.00 0.00 176.91 177.84 2ksy h THR 146 N -0.83 0.85 -0.31 2.22 1.03 -1.67 -1.09 112.91 113.12 2ksy h THR 146 Ca -0.02 -0.09 -0.15 0.00 -0.01 0.00 0.00 66.41 66.13 2ksy h THR 146 Cb 0.78 0.56 -0.00 0.00 -1.07 0.00 0.00 68.15 68.41 2ksy h THR 146 CO -0.16 0.05 -0.40 -0.33 -0.01 0.00 0.00 175.52 174.66 2ksy h GLU 147 N 0.27 0.82 -0.32 0.00 5.08 -1.51 -1.13 114.58 117.79 2ksy h GLU 147 Ca 0.26 -0.47 -0.13 0.00 -1.00 0.00 0.00 59.36 58.02 2ksy h GLU 147 Cb 0.65 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2ksy h GLU 147 CO -0.05 1.10 -0.31 0.77 -1.00 0.00 0.00 179.01 179.51 2ksy h SER 148 N 0.59 0.83 -0.15 1.42 0.02 -0.18 -3.12 113.55 112.96 2ksy h SER 148 Ca 0.04 -0.47 -0.15 0.00 -0.84 0.00 0.00 61.79 60.37 2ksy h SER 148 Cb 1.00 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 2ksy h SER 148 CO 0.09 1.13 -0.45 0.00 -1.14 0.00 0.00 176.83 176.46 2ksy h ALA 149 N 0.73 0.69 0.00 3.77 0.00 -1.27 -2.61 119.26 120.57 2ksy h ALA 149 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2ksy h ALA 149 Cb 0.89 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2ksy h ALA 149 CO 0.08 0.67 0.00 0.43 0.00 0.00 0.00 179.25 180.43 2ksy n SER 150 N -4.01 0.00 -0.13 0.00 7.64 -0.43 -1.48 113.62 115.20 2ksy n SER 150 Ca -0.03 -0.04 0.01 0.00 1.01 0.00 0.00 58.87 59.83 2ksy n SER 150 Cb 0.56 -0.21 0.02 0.00 -1.01 0.00 0.00 64.21 63.58 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 -1.21 0.92 -0.08 1.43 6.02 -1.00 -4.69 117.38 118.78 2ksy n GLN 151 Ca 0.07 -1.08 -0.14 0.00 -0.01 0.00 0.00 57.00 55.83 2ksy n GLN 151 Cb 0.08 -1.06 -0.10 0.00 1.02 0.00 0.00 30.24 30.18 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 0.53 0.00 -3.20 -1.09 9.65 -1.06 -3.50 114.38 115.71 2ksy h ARG 152 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2ksy h ARG 152 Cb 0.31 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.84 2ksy h ARG 152 CO 0.00 0.82 0.15 -1.12 2.80 0.00 0.00 179.97 182.62 2ksy s SER 153 N -6.31 -0.08 0.15 -3.80 0.01 -1.25 -5.01 113.70 97.41 2ksy s SER 153 Ca -0.20 -0.87 -0.07 0.00 1.31 0.00 0.00 55.95 56.12 2ksy s SER 153 Cb 0.00 0.73 -0.00 0.00 0.21 0.00 0.00 66.02 66.96 2ksy s SER 153 CO 0.55 -1.40 1.43 0.77 0.41 0.00 0.00 173.24 175.00 2ksy h SER 154 N 2.06 0.78 0.46 2.44 4.64 -1.92 -3.11 113.55 118.89 2ksy h SER 154 Ca -0.24 -0.44 -0.22 0.00 -0.47 0.00 0.00 61.79 60.41 2ksy h SER 154 Cb 1.25 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2ksy h SER 154 CO 0.31 1.20 -0.97 1.23 -0.87 0.00 0.00 176.83 177.73 2ksy h GLY 155 N 0.88 0.36 1.27 -0.77 0.00 -1.96 -3.26 103.07 99.59 2ksy h GLY 155 Ca -0.00 -0.67 0.02 0.00 0.00 0.00 0.00 47.33 46.67 2ksy h GLY 155 CO 0.12 0.59 0.46 -2.22 0.00 0.00 0.00 176.54 175.50 2ksy h ILE 156 N 0.17 1.15 0.48 2.60 1.08 -1.85 -0.52 117.51 120.62 2ksy h ILE 156 Ca -0.08 -0.31 -0.02 0.00 -0.39 0.00 0.00 64.86 64.06 2ksy h ILE 156 Cb 1.62 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 35.54 2ksy h ILE 156 CO 0.16 0.16 -0.23 0.50 -0.69 0.00 0.00 178.15 178.06 2ksy h LYS 157 N 0.90 -0.62 -0.54 2.37 3.64 -1.58 0.23 116.57 120.97 2ksy h LYS 157 Ca 0.27 0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.59 2ksy h LYS 157 Cb -0.04 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 2ksy h LYS 157 CO -0.07 -0.38 -0.05 0.77 -2.27 0.00 0.00 179.45 177.45 2ksy h SER 158 N -0.70 0.96 -0.20 4.20 0.02 -1.60 -1.75 113.55 114.48 2ksy h SER 158 Ca -0.07 -0.28 -0.12 0.00 -0.84 0.00 0.00 61.79 60.48 2ksy h SER 158 Cb 0.52 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 2ksy h SER 158 CO 0.11 1.04 -0.31 0.25 -1.14 0.00 0.00 176.83 176.78 2ksy h LEU 159 N 0.88 0.73 -0.03 5.07 6.46 -1.05 -2.69 115.31 124.68 2ksy h LEU 159 Ca 0.15 -0.29 -0.06 0.00 -0.12 0.00 0.00 57.88 57.56 2ksy h LEU 159 Cb 0.59 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 2ksy h LEU 159 CO 0.04 0.98 -0.22 0.22 -0.62 0.00 0.00 178.44 178.84 2ksy h TYR 160 N 0.60 0.28 -0.86 1.25 5.03 -0.84 -2.37 116.97 120.07 2ksy h TYR 160 Ca 0.07 -0.13 0.06 0.00 2.58 0.00 0.00 58.73 61.31 2ksy h TYR 160 Cb 0.82 -0.04 -0.06 0.00 1.55 0.00 0.00 36.73 39.00 2ksy h TYR 160 CO 0.04 0.87 0.53 -0.39 -1.32 0.00 0.00 178.16 177.89 2ksy h VAL 161 N -0.39 1.05 -0.27 1.81 -1.51 -1.36 -0.05 116.25 115.52 2ksy h VAL 161 Ca -0.02 -0.33 -0.09 0.00 -1.23 0.00 0.00 66.70 65.03 2ksy h VAL 161 Cb 0.91 -0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.05 2ksy h VAL 161 CO 0.04 0.18 -0.18 -0.09 -1.23 0.00 0.00 177.57 176.29 2ksy h ARG 162 N 0.97 0.60 -0.22 5.19 9.65 -1.55 -2.01 114.38 127.01 2ksy h ARG 162 Ca 0.37 -0.28 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 2ksy h ARG 162 Cb 0.16 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 2ksy h ARG 162 CO -0.17 0.87 0.11 -0.07 2.80 0.00 0.00 179.97 183.50 2ksy h LEU 163 N 0.32 0.29 -0.48 3.80 4.07 -0.95 -2.55 115.31 119.82 2ksy h LEU 163 Ca 0.05 -0.12 -0.11 0.00 0.08 0.00 0.00 57.88 57.78 2ksy h LEU 163 Cb 0.72 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 2ksy h LEU 163 CO 0.05 0.33 -0.14 0.08 -1.08 0.00 0.00 178.44 177.68 2ksy h ARG 164 N 0.23 0.94 0.14 1.13 0.11 -1.07 -1.62 114.38 114.25 2ksy h ARG 164 Ca 0.08 -0.37 0.00 0.00 0.10 0.00 0.00 59.98 59.78 2ksy h ARG 164 Cb 0.12 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.14 2ksy h ARG 164 CO -0.01 1.04 -0.11 -0.91 0.10 0.00 0.00 179.97 180.07 2ksy h ASN 165 N 0.79 -0.30 -0.28 0.08 -0.26 -1.29 -0.14 115.58 114.19 2ksy h ASN 165 Ca 0.12 0.03 -0.08 0.00 -0.56 0.00 0.00 56.30 55.81 2ksy h ASN 165 Cb 0.70 0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 38.06 2ksy h ASN 165 CO 0.05 -0.18 -0.12 0.17 -1.06 0.00 0.00 177.43 176.29 2ksy h LEU 166 N -0.27 0.59 0.01 1.61 8.10 -1.49 -2.66 115.31 121.20 2ksy h LEU 166 Ca -0.00 -0.40 0.01 0.00 0.11 0.00 0.00 57.88 57.60 2ksy h LEU 166 Cb 0.24 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.29 2ksy h LEU 166 CO -0.02 0.86 -0.06 0.74 -4.11 0.00 0.00 178.44 175.85 2ksy h THR 167 N 0.32 0.84 -0.80 0.15 2.02 -1.21 -1.71 112.91 112.53 2ksy h THR 167 Ca 0.06 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 2ksy h THR 167 Cb 0.63 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 2ksy h THR 167 CO 0.04 0.00 0.43 1.62 0.37 0.00 0.00 175.52 177.98 2ksy h VAL 168 N -0.11 1.24 0.91 3.16 3.04 -1.07 0.78 116.25 124.20 2ksy h VAL 168 Ca 0.02 -0.61 -0.04 0.00 -1.01 0.00 0.00 66.70 65.06 2ksy h VAL 168 Cb 0.14 0.18 0.01 0.00 -2.01 0.00 0.00 31.29 29.60 2ksy h VAL 168 CO -0.06 0.27 -0.44 0.58 -1.01 0.00 0.00 177.57 176.91 2ksy h VAL 169 N 1.12 0.06 -0.15 1.51 2.07 -1.26 0.24 116.25 119.84 2ksy h VAL 169 Ca 0.28 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.73 2ksy h VAL 169 Cb 0.04 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 2ksy h VAL 169 CO -0.04 0.00 -0.00 0.17 0.02 0.00 0.00 177.57 177.72 2ksy h LEU 170 N -1.28 0.18 -0.68 2.57 8.10 -1.28 -1.25 115.31 121.68 2ksy h LEU 170 Ca -0.13 -0.02 -0.14 0.00 0.11 0.00 0.00 57.88 57.70 2ksy h LEU 170 Cb 0.94 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 41.10 2ksy h LEU 170 CO 0.21 0.23 -0.61 -0.50 -4.11 0.00 0.00 178.44 173.65 2ksy h TRP 171 N 0.20 0.23 0.00 0.17 4.06 -0.66 -2.55 115.95 117.41 2ksy h TRP 171 Ca 0.05 -0.09 0.00 0.00 2.06 0.00 0.00 58.89 60.91 2ksy h TRP 171 Cb 0.15 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.27 2ksy h TRP 171 CO 0.00 0.74 0.00 0.00 -3.56 0.00 0.00 178.44 175.62 2ksy n ALA 172 N -2.46 1.73 0.04 1.49 0.00 0.82 -1.89 120.51 120.23 2ksy n ALA 172 Ca -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 2ksy n ALA 172 Cb 0.62 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 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 0.68 -0.39 0.00 1.08 -1.34 -3.37 117.51 114.15 2ksy h ILE 173 Ca 0.00 -2.23 0.07 0.00 -0.39 0.00 0.00 64.86 62.31 2ksy h ILE 173 Cb 0.16 2.20 -0.06 0.00 -3.07 0.00 0.00 36.82 36.05 2ksy h ILE 173 CO 0.00 0.39 0.01 1.88 -0.69 0.00 0.00 178.15 179.73 2ksy h TYR 174 N 0.00 -0.01 -1.16 1.37 -1.99 -1.46 -0.89 116.97 112.83 2ksy h TYR 174 Ca -0.15 0.03 0.33 0.00 2.00 0.00 0.00 58.73 60.93 2ksy h TYR 174 Cb 1.64 0.06 -0.07 0.00 2.00 0.00 0.00 36.73 40.37 2ksy h TYR 174 CO 0.00 -0.07 0.80 -1.35 -0.00 0.00 0.00 178.16 177.54 2ksy h PRO 175 N 0.11 0.13 0.00 4.88 0.11 -1.74 0.11 132.00 135.60 2ksy h PRO 175 Ca 0.19 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 2ksy h PRO 175 Cb 0.27 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 2ksy h PRO 175 CO -0.32 0.08 -0.09 0.74 -0.21 0.00 0.00 178.00 178.20 2ksy h PHE 176 N 0.13 0.00 -0.08 0.65 0.04 -1.43 -3.05 116.94 113.21 2ksy h PHE 176 Ca 0.59 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.34 2ksy h PHE 176 Cb 2.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.21 2ksy h PHE 176 CO -0.00 0.98 -0.06 0.82 -0.60 0.00 0.00 178.31 179.45 2ksy h ILE 177 N -1.00 1.09 -0.04 -0.55 1.08 -0.53 0.30 117.51 117.86 2ksy h ILE 177 Ca -0.03 -0.39 -0.06 0.00 -0.39 0.00 0.00 64.86 64.00 2ksy h ILE 177 Cb 0.97 1.10 0.00 0.00 -3.07 0.00 0.00 36.82 35.82 2ksy h ILE 177 CO -0.02 0.12 -0.21 -0.25 -0.69 0.00 0.00 178.15 177.11 2ksy h TRP 178 N 0.11 0.28 0.21 1.37 7.01 -0.96 -0.37 115.95 123.60 2ksy h TRP 178 Ca 0.03 -0.13 -0.01 0.00 2.11 0.00 0.00 58.89 60.89 2ksy h TRP 178 Cb 0.17 -0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 2ksy h TRP 178 CO 0.00 0.85 -0.10 1.25 -2.79 0.00 0.00 178.44 177.65 2ksy h LEU 179 N -0.36 -0.24 -0.87 0.65 5.85 -1.37 -2.82 115.31 116.14 2ksy h LEU 179 Ca -0.02 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.35 2ksy h LEU 179 Cb 0.87 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 2ksy h LEU 179 CO 0.04 0.25 0.08 -0.07 -0.34 0.00 0.00 178.44 178.40 2ksy h LEU 180 N -0.83 0.87-10.05 2.25 3.38 -0.57 0.22 115.31 110.58 2ksy h LEU 180 Ca -0.03 -0.19 -0.38 0.00 0.09 0.00 0.00 57.88 57.36 2ksy h LEU 180 Cb 0.51 -0.23 0.22 0.00 0.09 0.00 0.00 40.66 41.25 2ksy h LEU 180 CO 0.05 0.89 -0.11 -0.83 0.09 0.00 0.00 178.44 178.53 2ksy s GLY 181 N -3.62 1.42 0.26 0.83 0.00 -0.15 0.09 107.32 106.14 2ksy s GLY 181 Ca -0.10 -0.81 -0.03 0.00 0.00 0.00 0.00 44.72 43.78 2ksy s GLY 181 CO 0.82 0.19 1.67 -2.55 0.00 0.00 0.00 173.10 173.24 2ksy h PRO 182 N -3.39 0.25 -1.31 2.90 0.11 -1.83 -1.11 132.00 127.62 2ksy h PRO 182 Ca -0.44 -0.01 0.38 0.00 0.11 0.00 0.00 66.00 66.04 2ksy h PRO 182 Cb 1.34 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 2ksy h PRO 182 CO 0.29 0.16 0.96 -1.35 -0.21 0.00 0.00 178.00 177.85 2ksy h PRO 183 N 0.26 0.00 0.00 1.05 0.11 -1.87 -3.39 132.00 128.16 2ksy h PRO 183 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 2ksy h PRO 183 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2ksy h PRO 183 CO -0.56 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.64 2ksy n GLY 184 N -1.79 1.69 0.31 -0.55 0.00 -0.51 -4.61 105.19 99.73 2ksy n GLY 184 Ca 0.29 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.45 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 0.66 -5.29 1.61 -1.51 -0.68 -3.48 116.25 107.57 2ksy h VAL 185 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 2ksy h VAL 185 Cb 0.00 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.07 2ksy h VAL 185 CO 0.00 0.00 -0.63 0.00 -1.23 0.00 0.00 177.57 175.71 2ksy n ALA 186 N -2.43 -3.10 -0.11 5.19 0.00 -0.49 -4.98 120.51 114.60 2ksy n ALA 186 Ca 0.00 1.01 -0.24 0.00 0.00 0.00 0.00 53.44 54.21 2ksy n ALA 186 Cb 0.24 -3.14 -0.11 0.00 0.00 0.00 0.00 19.45 16.44 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 -0.06 1.92 0.00 0.00 4.77 0.11 -4.92 117.00 118.82 2ksy n LEU 187 Ca 0.09 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2ksy n LEU 187 Cb 0.37 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 2ksy n LEU 187 CO 0.47 0.38 0.00 0.18 -1.33 0.00 0.00 177.39 177.09 2ksy n LEU 188 N -4.35 0.00 -4.81 2.23 4.32 -1.26 -5.08 117.00 108.06 2ksy n LEU 188 Ca -0.38 0.00 -0.38 0.00 -0.02 0.00 0.00 56.01 55.23 2ksy n LEU 188 Cb 0.75 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.49 2ksy n LEU 188 CO 0.16 -0.32 0.06 -0.89 -1.22 0.00 0.00 177.39 175.18 2ksy s THR 189 N 0.10 5.15 0.27 -5.08 2.01 -1.26 -4.83 115.64 112.00 2ksy s THR 189 Ca 0.00 0.73 -0.03 0.00 0.31 0.00 0.00 61.69 62.70 2ksy s THR 189 Cb 0.00 -3.67 0.33 0.00 0.01 0.00 0.00 72.50 69.17 2ksy s THR 189 CO 0.00 0.53 1.62 -0.65 -0.69 0.00 0.00 174.62 175.42 2ksy h PRO 190 N 5.25 0.09 -0.96 4.92 0.11 -1.99 0.26 132.00 139.68 2ksy h PRO 190 Ca -0.49 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.64 2ksy h PRO 190 Cb 1.21 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 2ksy h PRO 190 CO 0.65 0.06 0.63 0.00 -0.21 0.00 0.00 178.00 179.13 2ksy h THR 191 N 0.09 1.20 -0.15 -1.15 1.03 -1.99 -1.16 112.91 110.77 2ksy h THR 191 Ca 0.49 -0.43 -0.08 0.00 -0.01 0.00 0.00 66.41 66.38 2ksy h THR 191 Cb 0.92 -0.16 -0.00 0.00 -1.07 0.00 0.00 68.15 67.84 2ksy h THR 191 CO -0.75 0.23 -0.22 0.58 -0.01 0.00 0.00 175.52 175.35 2ksy h VAL 192 N 1.25 1.35 -0.67 0.00 2.07 -0.97 -2.41 116.25 116.87 2ksy h VAL 192 Ca 0.37 -1.43 0.05 0.00 0.82 0.00 0.00 66.70 66.51 2ksy h VAL 192 Cb -0.06 1.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 2ksy h VAL 192 CO -0.10 0.43 0.39 -0.78 0.02 0.00 0.00 177.57 177.53 2ksy h ASP 193 N 0.05 0.61 -0.33 0.57 3.58 -0.70 -1.45 116.42 118.74 2ksy h ASP 193 Ca 0.02 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.43 2ksy h ASP 193 Cb 0.78 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.70 2ksy h ASP 193 CO 0.05 0.40 0.03 0.58 -2.88 0.00 0.00 179.24 177.42 2ksy h VAL 194 N 0.74 1.22 -0.25 2.25 2.07 -1.22 -1.11 116.25 119.95 2ksy h VAL 194 Ca 0.29 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.96 2ksy h VAL 194 Cb 0.12 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2ksy h VAL 194 CO -0.15 0.30 0.13 0.00 0.02 0.00 0.00 177.57 177.87 2ksy h ALA 195 N 1.40 0.30 -0.48 1.67 0.00 -0.75 0.18 119.26 121.58 2ksy h ALA 195 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 2ksy h ALA 195 Cb 0.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2ksy h ALA 195 CO 0.01 -0.26 -0.16 -0.07 0.00 0.00 0.00 179.25 178.77 2ksy h LEU 196 N 0.28 0.97 0.83 0.00 3.38 -1.19 -1.66 115.31 117.92 2ksy h LEU 196 Ca 0.10 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 2ksy h LEU 196 Cb 0.01 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.50 2ksy h LEU 196 CO -0.06 1.13 -0.40 0.40 0.09 0.00 0.00 178.44 179.60 2ksy h ILE 197 N 0.80 0.18 -0.87 1.22 1.08 -0.91 0.29 117.51 119.30 2ksy h ILE 197 Ca 0.11 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.78 2ksy h ILE 197 Cb 0.73 0.18 -0.06 0.00 -3.07 0.00 0.00 36.82 34.60 2ksy h ILE 197 CO 0.06 0.00 0.58 0.58 -0.69 0.00 0.00 178.15 178.68 2ksy h VAL 198 N -1.12 0.68 -0.37 1.67 2.07 -0.68 0.18 116.25 118.68 2ksy h VAL 198 Ca -0.11 -0.12 -0.14 0.00 0.82 0.00 0.00 66.70 67.15 2ksy h VAL 198 Cb 0.86 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2ksy h VAL 198 CO 0.19 0.06 -0.30 0.22 0.02 0.00 0.00 177.57 177.76 2ksy h TYR 199 N 0.35 1.01 0.42 1.57 3.20 -0.62 -2.30 116.97 120.60 2ksy h TYR 199 Ca 0.45 -0.29 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 2ksy h TYR 199 Cb 1.18 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 2ksy h TYR 199 CO -0.00 1.08 -0.24 -0.07 -1.64 0.00 0.00 178.16 177.28 2ksy h LEU 200 N 0.65 -0.60 -1.13 2.82 3.38 0.26 -0.41 115.31 120.28 2ksy h LEU 200 Ca 0.07 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2ksy h LEU 200 Cb 0.88 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 2ksy h LEU 200 CO 0.08 -0.39 0.56 0.44 0.09 0.00 0.00 178.44 179.21 2ksy h ASP 201 N -0.63 1.00 0.39 -0.43 3.32 -1.42 -1.52 116.42 117.14 2ksy h ASP 201 Ca -0.05 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 2ksy h ASP 201 Cb 0.51 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2ksy h ASP 201 CO 0.06 0.74 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.96 2ksy h LEU 202 N 1.17 0.00 0.12 1.55 3.38 -1.12 -2.92 115.31 117.49 2ksy h LEU 202 Ca 0.31 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.00 2ksy h LEU 202 Cb -0.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.65 2ksy h LEU 202 CO -0.07 0.29 -1.27 0.58 0.09 0.00 0.00 178.44 178.07 2ksy h VAL 203 N 0.00 1.43 0.00 1.22 2.07 -0.11 -2.24 116.25 118.62 2ksy h VAL 203 Ca -0.00 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 64.62 2ksy h VAL 203 Cb 0.56 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 2ksy h VAL 203 CO 0.04 0.85 0.00 0.41 0.02 0.00 0.00 177.57 178.89 2ksy n THR 204 N -3.61 0.00 0.00 2.57 -1.04 -0.74 0.11 114.28 111.57 2ksy n THR 204 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2ksy n THR 204 Cb 1.02 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 68.68 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 -0.94 0.00 0.48 12.58 0.31 -0.84 -2.51 118.33 127.40 2ksy n VAL 206 Ca 0.04 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.18 2ksy n VAL 206 Cb 0.02 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 -1.27 2.00 2.92 0.00 -0.38 -1.19 103.07 105.15 2ksy h GLY 207 Ca 0.00 0.47 -0.08 0.00 0.00 0.00 0.00 47.33 47.72 2ksy h GLY 207 CO 0.00 -0.46 -0.36 0.27 0.00 0.00 0.00 176.54 175.99 2ksy h PHE 208 N -1.29 0.00 -0.13 5.60 -0.00 -1.52 -2.76 116.94 116.84 2ksy h PHE 208 Ca -0.12 0.00 -0.10 0.00 -0.00 0.00 0.00 57.97 57.75 2ksy h PHE 208 Cb 0.93 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.87 2ksy h PHE 208 CO 0.01 0.36 -0.36 0.78 -0.00 0.00 0.00 178.31 179.09 2ksy h GLY 209 N 1.81 0.29 0.53 6.09 0.00 -1.74 1.06 103.07 111.10 2ksy h GLY 209 Ca -0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2ksy h GLY 209 CO 0.05 0.24 -0.09 0.74 0.00 0.00 0.00 176.54 177.47 2ksy h PHE 210 N 0.23 0.17 0.00 5.60 0.04 -0.95 -0.80 116.94 121.23 2ksy h PHE 210 Ca 0.03 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 2ksy h PHE 210 Cb 0.75 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.87 2ksy h PHE 210 CO 0.01 0.68 -0.14 0.82 -0.60 0.00 0.00 178.31 179.09 2ksy h ILE 211 N -0.39 0.88 -0.66 -0.55 2.04 -1.36 -1.69 117.51 115.77 2ksy h ILE 211 Ca 0.00 -0.52 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 2ksy h ILE 211 Cb 0.68 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 2ksy h ILE 211 CO 0.02 0.14 0.17 0.00 0.00 0.00 0.00 178.15 178.48 2ksy h ALA 212 N 1.86 0.87 0.24 1.87 0.00 0.16 -1.77 119.26 122.49 2ksy h ALA 212 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2ksy h ALA 212 Cb 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ksy h ALA 212 CO 0.02 0.57 -0.12 -0.07 0.00 0.00 0.00 179.25 179.65 2ksy h LEU 213 N 0.97 -0.28 -0.31 0.00 3.38 -0.27 -2.44 115.31 116.37 2ksy h LEU 213 Ca 0.21 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.99 2ksy h LEU 213 Cb 0.34 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 2ksy h LEU 213 CO -0.00 0.19 -0.07 0.44 0.09 0.00 0.00 178.44 179.09 2ksy h ASP 214 N -0.86 -0.27 0.75 -0.43 3.32 -1.43 0.26 116.42 117.76 2ksy h ASP 214 Ca -0.03 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 2ksy h ASP 214 Cb 0.51 0.18 0.01 0.00 0.22 0.00 0.00 39.33 40.25 2ksy h ASP 214 CO 0.06 -0.09 -0.37 0.00 -1.72 0.00 0.00 179.24 177.11 2ksy h ALA 215 N 1.30 -1.02 -0.65 3.45 0.00 -1.42 -2.09 119.26 118.83 2ksy h ALA 215 Ca 0.15 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.90 2ksy h ALA 215 Cb 0.22 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2ksy h ALA 215 CO -0.31 -1.08 0.43 0.00 0.00 0.00 0.00 179.25 178.29 2ksy h ALA 216 N -0.76 1.78 -0.14 0.00 0.00 -1.28 0.04 119.26 118.91 2ksy h ALA 216 Ca -0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2ksy h ALA 216 Cb 0.79 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2ksy h ALA 216 CO 0.16 0.12 -0.10 0.00 0.00 0.00 0.00 179.25 179.43 2ksy h ALA 217 N 1.65 1.58 0.03 0.00 0.00 -0.24 -0.06 119.26 122.21 2ksy h ALA 217 Ca 0.28 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2ksy h ALA 217 Cb 0.27 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2ksy h ALA 217 CO -0.09 0.31 -0.42 1.15 0.00 0.00 0.00 179.25 180.20 2ksy h THR 218 N 0.20 1.54 0.00 0.00 2.02 -0.33 -1.54 112.91 114.80 2ksy h THR 218 Ca 0.04 -2.15 -0.03 0.00 0.77 0.00 0.00 66.41 65.05 2ksy h THR 218 Cb 0.31 2.89 -0.00 0.00 -1.74 0.00 0.00 68.15 69.61 2ksy h THR 218 CO 0.02 0.60 -0.14 -0.07 0.37 0.00 0.00 175.52 176.29 2ksy h LEU 219 N -0.44 0.00 0.09 2.58 3.38 -1.06 -2.25 115.31 117.61 2ksy h LEU 219 Ca -0.06 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.63 2ksy h LEU 219 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2ksy h LEU 219 CO 0.08 0.14 -1.39 -0.09 0.09 0.00 0.00 178.44 177.27 2ksy h ARG 220 N 0.00 0.20 -0.75 1.13 2.43 -1.05 -1.48 114.38 114.86 2ksy h ARG 220 Ca -0.00 -0.34 -0.02 0.00 -0.81 0.00 0.00 59.98 58.81 2ksy h ARG 220 Cb 0.29 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 2ksy h ARG 220 CO 0.02 1.08 0.38 0.00 -1.51 0.00 0.00 179.97 179.93 2ksy h ALA 221 N 0.63 0.96 0.15 2.80 0.00 -0.71 -3.11 119.26 119.99 2ksy h ALA 221 Ca -0.18 -0.14 -0.34 0.00 0.00 0.00 0.00 54.91 54.25 2ksy h ALA 221 Cb 1.97 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2ksy h ALA 221 CO 0.16 0.51 -1.70 1.05 0.00 0.00 0.00 179.25 179.27 2ksy h GLU 222 N 1.05 0.33 -5.23 0.00 4.11 -1.57 -3.47 114.58 109.80 2ksy h GLU 222 Ca 0.26 -0.56 -0.07 0.00 0.07 0.00 0.00 59.36 59.06 2ksy h GLU 222 Cb 0.09 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 2ksy h GLU 222 CO -0.04 1.22 -0.10 -2.39 0.07 0.00 0.00 179.01 177.77 2ksy n HIS 223 N -3.52 -1.91 -2.11 2.06 1.44 -0.56 -4.80 115.22 105.82 2ksy n HIS 223 Ca -0.22 0.07 -0.43 0.00 -2.01 0.00 0.00 57.72 55.13 2ksy n HIS 223 Cb 1.06 -1.10 -0.03 0.00 0.12 0.00 0.00 29.99 30.05 2ksy n HIS 223 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2ksy s GLY 224 N -2.13 0.85 0.11 -1.39 0.00 -1.26 -4.98 107.32 98.52 2ksy s GLY 224 Ca 0.09 0.07 0.08 0.00 0.00 0.00 0.00 44.72 44.96 2ksy s GLY 224 CO 0.11 3.12 -0.11 1.85 0.00 0.00 0.00 173.10 178.07 2ksy s GLU 225 N 5.52 2.07 -0.16 2.90 2.56 -1.26 -5.03 118.70 125.29 2ksy s GLU 225 Ca 0.73 -1.07 0.13 0.00 0.00 0.00 0.00 54.97 54.76 2ksy s GLU 225 Cb -0.19 -2.26 -0.19 0.00 2.00 0.00 0.00 34.13 33.49 2ksy s GLU 225 CO 0.32 0.50 0.03 0.45 -0.56 0.00 0.00 175.26 176.00 2ksy n SER 226 N 0.64 1.26 -4.19 -1.70 2.88 -1.26 -4.83 113.62 106.41 2ksy n SER 226 Ca -0.13 -0.01 -0.40 0.00 -1.33 0.00 0.00 58.87 56.99 2ksy n SER 226 Cb 0.53 0.75 -0.08 0.00 -0.75 0.00 0.00 64.21 64.65 2ksy n SER 226 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2ksy s LEU 227 N -5.28 5.67 0.00 2.46 1.43 -1.26 -4.81 118.68 116.90 2ksy s LEU 227 Ca -0.10 -2.15 0.00 0.00 -1.03 0.00 0.00 54.13 50.85 2ksy s LEU 227 Cb 0.05 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.29 2ksy s LEU 227 CO 0.63 -0.62 0.34 0.00 0.23 0.00 0.00 176.35 176.93 2ksy n ALA 228 N 4.56 1.81 0.39 4.21 0.00 -1.26 -4.83 120.51 125.39 2ksy n ALA 228 Ca -0.03 -0.34 -0.15 0.00 0.00 0.00 0.00 53.44 52.92 2ksy n ALA 228 Cb 0.41 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.79 2ksy n ALA 228 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2ksy h GLY 229 N 0.00 -1.04 -5.08 0.00 0.00 -2.01 -3.46 103.07 91.48 2ksy h GLY 229 Ca 0.00 0.39 -0.17 0.00 0.00 0.00 0.00 47.33 47.55 2ksy h GLY 229 CO 0.00 -0.38 -0.56 -1.34 0.00 0.00 0.00 176.54 174.27 2ksy s VAL 230 N -5.02 0.05 -1.23 4.60 -7.23 -1.26 -5.08 120.40 105.23 2ksy s VAL 230 Ca -0.15 -0.44 -0.15 0.00 -1.81 0.00 0.00 61.98 59.43 2ksy s VAL 230 Cb 0.01 -0.30 0.13 0.00 0.56 0.00 0.00 36.38 36.78 2ksy s VAL 230 CO 0.44 -0.24 1.53 -1.81 -0.31 0.00 0.00 175.10 174.71 2ksy s ASP 231 N -0.80 6.97 0.55 4.85 1.01 -1.26 -5.00 116.67 123.00 2ksy s ASP 231 Ca -0.09 -2.76 -0.21 0.00 0.71 0.00 0.00 52.55 50.20 2ksy s ASP 231 Cb -0.05 -2.47 -0.05 0.00 1.01 0.00 0.00 42.92 41.36 2ksy s ASP 231 CO 0.01 -0.91 1.28 0.35 0.21 0.00 0.00 175.17 176.11 2ksy n THR 232 N 5.29 3.76 1.19 -1.27 -2.24 -1.26 -4.91 114.28 114.84 2ksy n THR 232 Ca 0.41 -0.50 0.13 0.00 -2.27 0.00 0.00 64.05 61.81 2ksy n THR 232 Cb 0.44 -1.56 0.33 0.00 -2.10 0.00 0.00 70.33 67.45 2ksy n THR 232 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2ksy n ASP 233 N -0.89 1.00 -3.19 3.42 8.00 -1.26 -5.01 116.55 118.61 2ksy n ASP 233 Ca 0.11 -0.83 -0.19 0.00 0.71 0.00 0.00 54.79 54.59 2ksy n ASP 233 Cb 0.45 0.18 0.02 0.00 -0.02 0.00 0.00 41.12 41.74 2ksy n ASP 233 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2ksy n THR 234 N -0.75 -6.31 -2.65 -3.53 -2.24 -1.26 -4.93 114.28 92.61 2ksy n THR 234 Ca 0.11 0.58 -0.34 0.00 -2.27 0.00 0.00 64.05 62.13 2ksy n THR 234 Cb 0.35 -4.78 -0.05 0.00 -2.10 0.00 0.00 70.33 63.75 2ksy n THR 234 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2ksy s PRO 235 N -2.11 4.03 0.29 -0.78 0.04 -1.26 -5.03 135.00 130.18 2ksy s PRO 235 Ca 0.23 1.29 -0.29 0.00 0.04 0.00 0.00 61.00 62.28 2ksy s PRO 235 Cb -0.04 -2.21 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 2ksy s PRO 235 CO 0.67 -0.23 1.07 0.00 0.04 0.00 0.00 177.00 178.55 2ksy s ALA 236 N -2.00 3.36 -0.09 8.56 0.00 -1.26 -5.03 121.76 125.31 2ksy s ALA 236 Ca 0.64 0.84 -0.17 0.00 0.00 0.00 0.00 51.96 53.26 2ksy s ALA 236 Cb -0.14 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 2ksy s ALA 236 CO 0.18 -0.12 0.45 0.08 0.00 0.00 0.00 175.76 176.36 2ksy s VAL 237 N -1.23 5.14 -0.10 0.00 1.01 -1.26 -4.98 120.40 118.98 2ksy s VAL 237 Ca 0.46 0.92 -0.10 0.00 0.00 0.00 0.00 61.98 63.25 2ksy s VAL 237 Cb -0.30 -3.79 -0.28 0.00 0.00 0.00 0.00 36.38 32.02 2ksy s VAL 237 CO 0.38 0.40 0.48 0.00 0.00 0.00 0.00 175.10 176.36 2ksy h ALA 238 N 6.17 0.30 -3.12 5.51 0.00 -2.03 -3.45 119.26 122.64 2ksy h ALA 238 Ca -0.44 -1.26 -0.60 0.00 0.00 0.00 0.00 54.91 52.61 2ksy h ALA 238 Cb 1.19 0.60 -0.36 0.00 0.00 0.00 0.00 17.79 19.22 2ksy h ALA 238 CO 0.72 1.13 -0.83 0.16 0.00 0.00 0.00 179.25 180.43 2ksy s ASP 239 N -7.13 2.67 -0.21 0.00 -4.77 -1.26 -5.02 116.67 100.96 2ksy s ASP 239 Ca -0.20 -0.48 -0.16 0.00 -3.30 0.00 0.00 52.55 48.41 2ksy s ASP 239 Cb 0.06 -1.17 -0.11 0.00 -1.09 0.00 0.00 42.92 40.61 2ksy s ASP 239 CO 0.79 -0.06 -0.20 0.18 0.70 0.00 0.00 175.17 176.59 2ksy n LEU 240 N 4.77 1.91 0.00 2.11 7.99 -1.26 -4.99 117.00 127.53 2ksy n LEU 240 Ca -0.17 0.41 0.00 0.00 -0.01 0.00 0.00 56.01 56.24 2ksy n LEU 240 Cb 0.50 -0.84 0.00 0.00 -0.11 0.00 0.00 43.42 42.97 2ksy n LEU 240 CO 0.21 0.11 0.00 1.21 -1.51 0.00 0.00 177.39 177.42 2ksy n GLU 241 N -4.41 0.00 -2.65 3.23 2.13 -1.26 -5.11 120.64 112.57 2ksy n GLU 241 Ca -0.31 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.15 2ksy n GLU 241 Cb 0.64 -0.02 -0.05 0.00 0.27 0.00 0.00 31.44 32.28 2ksy n GLU 241 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2ksy s HIS 242 N -1.95 3.39 -0.32 4.31 3.76 -1.26 -5.04 115.29 118.18 2ksy s HIS 242 Ca 0.00 1.68 -0.03 0.00 -0.15 0.00 0.00 55.06 56.55 2ksy s HIS 242 Cb 0.00 -3.03 0.05 0.00 1.11 0.00 0.00 32.58 30.71 2ksy s HIS 242 CO 0.00 -0.33 0.05 -1.58 -0.85 0.00 0.00 174.74 172.03 2ksy s HIS 243 N -1.72 3.28 0.12 1.40 2.46 -1.26 -4.91 115.29 114.66 2ksy s HIS 243 Ca 0.56 -1.75 -0.02 0.00 0.47 0.00 0.00 55.06 54.32 2ksy s HIS 243 Cb -0.19 -2.25 0.03 0.00 -0.13 0.00 0.00 32.58 30.04 2ksy s HIS 243 CO 0.24 -0.79 0.15 0.72 -2.47 0.00 0.00 174.74 172.59 2ksy n HIS 244 N 4.69 -3.77 -3.98 3.88 8.25 -1.26 -5.07 115.22 117.95 2ksy n HIS 244 Ca -0.12 -0.13 -0.31 0.00 -0.26 0.00 0.00 57.72 56.90 2ksy n HIS 244 Cb 0.44 -0.12 -0.16 0.00 1.12 0.00 0.00 29.99 31.27 2ksy n HIS 244 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2ksy s HIS 245 N -1.31 2.50 -0.19 4.41 2.46 -1.26 -5.10 115.29 116.80 2ksy s HIS 245 Ca 0.08 -1.72 0.01 0.00 0.47 0.00 0.00 55.06 53.90 2ksy s HIS 245 Cb -0.00 -1.65 0.04 0.00 -0.13 0.00 0.00 32.58 30.84 2ksy s HIS 245 CO 0.06 -0.77 -0.11 -1.01 -2.47 0.00 0.00 174.74 170.45 2ksy s HIS 246 N 1.37 2.37 -2.84 3.88 3.76 -1.26 -5.37 115.29 117.19 2ksy s HIS 246 Ca -0.04 -1.53 0.25 0.00 -0.15 0.00 0.00 55.06 53.59 2ksy s HIS 246 Cb -0.17 -1.63 0.46 0.00 1.11 0.00 0.00 32.58 32.35 2ksy s HIS 246 CO -0.07 -0.73 1.41 1.58 -0.85 0.00 0.00 174.74 176.08