#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 0.15 2.03 0.31 -1.26 -4.93 118.33 114.63 2ksy n VAL 2 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 2ksy n VAL 2 Cb 0.00 -0.43 -0.06 0.00 -0.91 0.00 0.00 33.84 32.44 2ksy n VAL 2 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ksy n GLY 3 N 1.07 -0.21 0.21 2.92 0.00 -1.26 -4.58 105.19 103.34 2ksy n GLY 3 Ca 0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 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 0.89 -2.00 0.99 7.12 -2.00 -3.16 115.31 117.15 2ksy h LEU 4 Ca 0.00 -0.64 -0.01 0.00 0.13 0.00 0.00 57.88 57.36 2ksy h LEU 4 Cb 0.35 -0.26 -0.00 0.00 -0.53 0.00 0.00 40.66 40.21 2ksy h LEU 4 CO 0.00 1.39 -0.02 0.71 -0.13 0.00 0.00 178.44 180.39 2ksy h THR 5 N 0.45 0.97 -0.72 1.05 1.35 -1.85 -2.09 112.91 112.07 2ksy h THR 5 Ca -0.06 -0.09 0.07 0.00 -0.55 0.00 0.00 66.41 65.78 2ksy h THR 5 Cb 1.40 1.05 -0.05 0.00 -1.73 0.00 0.00 68.15 68.82 2ksy h THR 5 CO 0.16 0.02 0.47 0.71 -0.25 0.00 0.00 175.52 176.63 2ksy h THR 6 N 0.00 1.01 0.16 6.82 1.35 -1.79 -2.37 112.91 118.09 2ksy h THR 6 Ca -0.00 -0.25 0.01 0.00 -0.55 0.00 0.00 66.41 65.62 2ksy h THR 6 Cb 0.05 0.21 -0.02 0.00 -1.73 0.00 0.00 68.15 66.66 2ksy h THR 6 CO 0.00 0.13 -0.18 -0.07 -0.25 0.00 0.00 175.52 175.16 2ksy h LEU 7 N 0.73 -0.48 -1.58 3.87 -0.00 -1.51 -0.67 115.31 115.66 2ksy h LEU 7 Ca 0.31 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 58.23 2ksy h LEU 7 Cb 0.29 0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.10 2ksy h LEU 7 CO -0.10 -0.27 0.17 -0.26 -0.00 0.00 0.00 178.44 177.98 2ksy h PHE 8 N -0.38 0.44 -0.36 1.13 0.04 -1.60 -1.34 116.94 114.87 2ksy h PHE 8 Ca 0.01 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 2ksy h PHE 8 Cb 0.37 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 2ksy h PHE 8 CO -0.15 0.32 0.12 -1.49 -0.60 0.00 0.00 178.31 176.51 2ksy h TRP 9 N 0.46 0.57 -0.34 -0.55 -0.00 -0.89 -1.45 115.95 113.74 2ksy h TRP 9 Ca 0.12 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.89 58.91 2ksy h TRP 9 Cb 0.03 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 29.01 2ksy h TRP 9 CO 0.00 0.54 0.03 -0.07 -0.00 0.00 0.00 178.44 178.95 2ksy h LEU 10 N 0.43 0.48 -0.84 -4.49 3.38 -0.45 -2.16 115.31 111.66 2ksy h LEU 10 Ca 0.12 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2ksy h LEU 10 Cb 0.23 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2ksy h LEU 10 CO -0.01 0.53 -0.10 1.23 0.09 0.00 0.00 178.44 180.18 2ksy h GLY 11 N 0.80 0.82 1.71 0.83 0.00 -0.74 -2.33 103.07 104.16 2ksy h GLY 11 Ca 0.11 -0.61 -0.08 0.00 0.00 0.00 0.00 47.33 46.75 2ksy h GLY 11 CO 0.00 0.56 -0.25 0.00 0.00 0.00 0.00 176.54 176.86 2ksy h ALA 12 N 1.20 1.24 0.06 3.60 0.00 -0.66 -2.17 119.26 122.52 2ksy h ALA 12 Ca 0.12 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2ksy h ALA 12 Cb 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2ksy h ALA 12 CO 0.04 0.50 -0.03 0.82 0.00 0.00 0.00 179.25 180.58 2ksy h ILE 13 N 0.31 1.11 -0.20 0.00 1.08 -1.04 -1.14 117.51 117.62 2ksy h ILE 13 Ca 0.05 -0.58 0.02 0.00 -0.39 0.00 0.00 64.86 63.96 2ksy h ILE 13 Cb 0.61 1.49 -0.01 0.00 -3.07 0.00 0.00 36.82 35.84 2ksy h ILE 13 CO 0.04 0.15 0.13 1.23 -0.69 0.00 0.00 178.15 179.01 2ksy h GLY 14 N -0.34 0.20 0.76 5.37 0.00 -1.30 -2.18 103.07 105.58 2ksy h GLY 14 Ca -0.01 -0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 2ksy h GLY 14 CO 0.01 0.07 -0.22 -0.33 0.00 0.00 0.00 176.54 176.07 2ksy h MET 15 N 0.19 0.40 -0.93 4.80 2.86 -1.15 -2.70 114.93 118.40 2ksy h MET 15 Ca 0.08 -0.24 0.13 0.00 -2.06 0.00 0.00 59.70 57.61 2ksy h MET 15 Cb 0.10 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.70 2ksy h MET 15 CO -0.01 0.83 0.59 1.25 1.06 0.00 0.00 176.91 180.62 2ksy h LEU 16 N 0.01 0.78 -0.14 1.22 5.85 -0.60 0.18 115.31 122.60 2ksy h LEU 16 Ca 0.01 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2ksy h LEU 16 Cb 0.79 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 2ksy h LEU 16 CO 0.05 0.41 -0.02 0.58 -0.34 0.00 0.00 178.44 179.12 2ksy h VAL 17 N 0.83 1.28 -0.04 1.05 2.07 -1.40 -2.68 116.25 117.36 2ksy h VAL 17 Ca 0.46 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 2ksy h VAL 17 Cb 0.57 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 2ksy h VAL 17 CO -0.22 0.27 0.01 1.23 0.02 0.00 0.00 177.57 178.88 2ksy h GLY 18 N -0.03 0.07 -0.04 2.17 0.00 -1.02 -0.61 103.07 103.61 2ksy h GLY 18 Ca 0.04 -0.04 0.15 0.00 0.00 0.00 0.00 47.33 47.47 2ksy h GLY 18 CO 0.01 0.04 0.15 -0.84 0.00 0.00 0.00 176.54 175.90 2ksy h THR 19 N -0.16 0.52 -0.23 4.70 2.02 -0.73 0.43 112.91 119.46 2ksy h THR 19 Ca 0.01 -0.08 -0.20 0.00 0.77 0.00 0.00 66.41 66.90 2ksy h THR 19 Cb 0.24 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2ksy h THR 19 CO 0.00 0.05 -0.65 -0.07 0.37 0.00 0.00 175.52 175.22 2ksy h LEU 20 N 0.25 0.98 -1.86 2.58 3.38 -1.41 -0.76 115.31 118.47 2ksy h LEU 20 Ca 0.39 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2ksy h LEU 20 Cb 0.65 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2ksy h LEU 20 CO -0.50 1.38 -0.05 0.00 0.09 0.00 0.00 178.44 179.35 2ksy h ALA 21 N 0.62 1.88 0.12 1.53 0.00 0.33 -0.42 119.26 123.32 2ksy h ALA 21 Ca -0.01 -0.06 -0.36 0.00 0.00 0.00 0.00 54.91 54.47 2ksy h ALA 21 Cb 1.27 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2ksy h ALA 21 CO 0.14 0.09 -1.99 1.19 0.00 0.00 0.00 179.25 178.68 2ksy n PHE 22 N -4.46 1.20 0.06 0.00 3.72 -0.00 -3.47 117.46 114.50 2ksy n PHE 22 Ca -0.03 0.26 -0.13 0.00 -0.05 0.00 0.00 57.45 57.51 2ksy n PHE 22 Cb 0.14 -1.15 -0.08 0.00 -0.94 0.00 0.00 39.48 37.45 2ksy n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ksy h ALA 23 N 0.04 -0.08 -0.79 4.37 0.00 -0.96 0.32 119.26 122.16 2ksy h ALA 23 Ca -0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 2ksy h ALA 23 Cb 2.00 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.78 2ksy h ALA 23 CO 0.07 -0.48 0.47 2.35 0.00 0.00 0.00 179.25 181.66 2ksy h TRP 24 N -0.22 1.04 0.00 0.00 2.91 -1.28 -1.37 115.95 117.04 2ksy h TRP 24 Ca -0.01 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.01 2ksy h TRP 24 Cb 0.19 -0.34 0.00 0.00 -0.51 0.00 0.00 29.16 28.50 2ksy h TRP 24 CO -0.03 0.70 0.00 0.00 -1.03 0.00 0.00 178.44 178.08 2ksy n ALA 25 N -2.35 2.14 -0.03 2.65 0.00 -1.15 -3.49 120.51 118.29 2ksy n ALA 25 Ca 0.08 -0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 2ksy n ALA 25 Cb 0.06 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 17.96 2ksy n ALA 25 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2ksy h GLY 26 N 4.05 0.18 2.00 0.00 0.00 0.79 -2.79 103.07 107.30 2ksy h GLY 26 Ca 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 2ksy h GLY 26 CO 0.00 0.23 -0.27 0.07 0.00 0.00 0.00 176.54 176.57 2ksy h ARG 27 N -0.43 0.00 0.00 4.80 0.11 -1.56 -1.55 114.38 115.76 2ksy h ARG 27 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2ksy h ARG 27 Cb 0.83 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.91 2ksy h ARG 27 CO 0.03 0.27 0.00 -3.47 0.10 0.00 0.00 179.97 176.90 2ksy n ASP 28 N -4.21 0.42 -3.01 0.08 2.03 -1.23 -4.84 116.55 105.80 2ksy n ASP 28 Ca -0.02 0.55 -0.14 0.00 0.52 0.00 0.00 54.79 55.69 2ksy n ASP 28 Cb 0.32 -0.66 0.12 0.00 -0.72 0.00 0.00 41.12 40.18 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 -1.65 -1.64 -2.06 -1.67 0.00 -0.58 -5.09 120.51 107.81 2ksy n ALA 29 Ca 0.06 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.72 2ksy n ALA 29 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.00 2.20 3.69 0.00 0.00 -1.26 -5.04 105.19 103.78 2ksy n GLY 30 Ca 0.07 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.87 6.32 0.00 1.61 1.04 -1.26 -4.19 113.70 116.34 2ksy s SER 31 Ca 0.00 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.80 2ksy s SER 31 Cb 0.00 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.96 2ksy s SER 31 CO 0.00 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.88 2ksy n GLY 32 N 3.79 3.21 0.27 7.32 0.00 -1.26 -4.82 105.19 113.70 2ksy n GLY 32 Ca -0.12 -0.88 0.16 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.81 1.61 4.39 -2.00 -3.04 114.58 114.73 2ksy h GLU 33 Ca 0.00 0.00 0.23 0.00 0.34 0.00 0.00 59.36 59.93 2ksy h GLU 33 Cb 0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 2ksy h GLU 33 CO 0.00 0.04 0.63 -0.09 -1.16 0.00 0.00 179.01 178.43 2ksy h ARG 34 N 0.00 0.00 -0.36 2.33 2.43 -1.88 0.02 114.38 116.92 2ksy h ARG 34 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2ksy h ARG 34 Cb 0.50 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2ksy h ARG 34 CO 0.01 0.00 0.19 0.00 -1.51 0.00 0.00 179.97 178.65 2ksy h ARG 35 N 0.00 0.52 0.00 0.20 3.08 -1.92 -0.16 114.38 116.09 2ksy h ARG 35 Ca 0.38 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.29 2ksy h ARG 35 Cb 1.63 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.58 2ksy h ARG 35 CO -0.00 0.44 -0.35 1.88 -1.07 0.00 0.00 179.97 180.87 2ksy h TYR 36 N 0.46 0.00 0.11 3.04 0.05 -1.23 -2.27 116.97 117.13 2ksy h TYR 36 Ca 0.13 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 2ksy h TYR 36 Cb 0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 2ksy h TYR 36 CO -0.02 0.35 -0.05 1.88 -1.05 0.00 0.00 178.16 179.26 2ksy h TYR 37 N 0.00 -0.14 -0.77 4.88 0.05 -1.15 -2.12 116.97 117.73 2ksy h TYR 37 Ca -0.00 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.85 2ksy h TYR 37 Cb 0.65 0.05 -0.05 0.00 1.01 0.00 0.00 36.73 38.38 2ksy h TYR 37 CO 0.00 0.34 0.50 -0.24 -1.05 0.00 0.00 178.16 177.71 2ksy h VAL 38 N -0.88 1.00 0.10 -2.88 3.04 -1.05 -0.12 116.25 115.45 2ksy h VAL 38 Ca -0.02 -0.26 -0.00 0.00 -1.01 0.00 0.00 66.70 65.41 2ksy h VAL 38 Cb 0.55 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 29.99 2ksy h VAL 38 CO 0.03 0.14 -0.05 0.74 -1.01 0.00 0.00 177.57 177.42 2ksy h THR 39 N 0.77 1.06 -0.39 3.17 2.02 -1.47 -1.13 112.91 116.95 2ksy h THR 39 Ca 0.34 -0.61 0.04 0.00 0.77 0.00 0.00 66.41 66.95 2ksy h THR 39 Cb 0.33 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.15 2ksy h THR 39 CO -0.12 0.15 0.15 0.25 0.37 0.00 0.00 175.52 176.32 2ksy h LEU 40 N -0.42 0.19 -1.53 2.58 5.85 -0.77 -0.79 115.31 120.41 2ksy h LEU 40 Ca -0.01 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2ksy h LEU 40 Cb 0.35 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2ksy h LEU 40 CO 0.02 0.14 0.32 0.58 -0.34 0.00 0.00 178.44 179.16 2ksy h VAL 41 N 0.32 1.12 -0.61 1.05 2.07 -1.01 -1.51 116.25 117.68 2ksy h VAL 41 Ca 0.17 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2ksy h VAL 41 Cb 0.13 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 2ksy h VAL 41 CO -0.16 0.12 0.39 1.23 0.02 0.00 0.00 177.57 179.17 2ksy h GLY 42 N 0.65 0.87 0.64 2.17 0.00 0.18 -0.83 103.07 106.75 2ksy h GLY 42 Ca 0.18 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 2ksy h GLY 42 CO -0.04 0.33 -0.23 -2.22 0.00 0.00 0.00 176.54 174.39 2ksy h ILE 43 N 0.84 0.35 -0.14 2.60 2.04 -0.86 -1.81 117.51 120.53 2ksy h ILE 43 Ca 0.22 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.62 2ksy h ILE 43 Cb -0.07 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 2ksy h ILE 43 CO -0.05 0.06 0.18 0.28 0.00 0.00 0.00 178.15 178.62 2ksy h SER 44 N -1.00 0.00 0.06 1.72 0.02 -1.38 -2.09 113.55 110.89 2ksy h SER 44 Ca -0.06 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2ksy h SER 44 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2ksy h SER 44 CO 0.11 0.00 -0.03 1.23 -1.14 0.00 0.00 176.83 177.00 2ksy h GLY 45 N 0.00 -0.09 0.81 -3.77 0.00 -1.03 -2.27 103.07 96.72 2ksy h GLY 45 Ca 0.07 0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.48 2ksy h GLY 45 CO -0.00 -0.03 0.60 0.16 0.00 0.00 0.00 176.54 177.26 2ksy h ILE 46 N -0.95 1.12 -0.44 2.60 3.07 -1.06 -1.77 117.51 120.07 2ksy h ILE 46 Ca -0.01 -0.39 -0.12 0.00 1.55 0.00 0.00 64.86 65.89 2ksy h ILE 46 Cb 0.52 -0.11 -0.01 0.00 -0.27 0.00 0.00 36.82 36.95 2ksy h ILE 46 CO 0.01 0.21 -0.21 0.00 -1.05 0.00 0.00 178.15 177.11 2ksy h ALA 47 N 1.40 0.79 -0.65 0.16 0.00 -1.51 -2.65 119.26 116.80 2ksy h ALA 47 Ca 0.38 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2ksy h ALA 47 Cb 0.07 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 2ksy h ALA 47 CO -0.14 0.65 0.32 0.00 0.00 0.00 0.00 179.25 180.08 2ksy h ALA 48 N 0.99 0.88 -0.08 0.00 0.00 -0.70 -1.07 119.26 119.26 2ksy h ALA 48 Ca 0.10 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 2ksy h ALA 48 Cb 0.76 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2ksy h ALA 48 CO 0.06 -0.05 -0.65 -0.39 0.00 0.00 0.00 179.25 178.22 2ksy h VAL 49 N 0.57 1.38 -0.53 0.00 -1.51 -1.42 -2.51 116.25 112.24 2ksy h VAL 49 Ca 0.31 -2.05 -0.04 0.00 -1.23 0.00 0.00 66.70 63.69 2ksy h VAL 49 Cb 0.29 2.04 -0.02 0.00 -2.13 0.00 0.00 31.29 31.46 2ksy h VAL 49 CO -0.24 0.61 0.15 0.00 -1.23 0.00 0.00 177.57 176.86 2ksy h ALA 50 N 1.08 1.27 -0.12 5.19 0.00 -0.98 -1.09 119.26 124.62 2ksy h ALA 50 Ca -0.01 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 2ksy h ALA 50 Cb 1.19 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2ksy h ALA 50 CO 0.11 0.52 -0.70 1.88 0.00 0.00 0.00 179.25 181.05 2ksy h TYR 51 N 0.77 0.68 -0.51 0.00 0.05 -1.13 -1.43 116.97 115.40 2ksy h TYR 51 Ca 0.17 -0.29 -0.07 0.00 0.05 0.00 0.00 58.73 58.60 2ksy h TYR 51 Cb 0.26 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 2ksy h TYR 51 CO 0.01 1.06 0.06 0.00 -1.05 0.00 0.00 178.16 178.24 2ksy h ALA 52 N 0.87 0.68 -0.07 3.88 0.00 -1.02 0.95 119.26 124.54 2ksy h ALA 52 Ca -0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 2ksy h ALA 52 Cb 1.28 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2ksy h ALA 52 CO 0.13 0.43 -0.15 -0.39 0.00 0.00 0.00 179.25 179.27 2ksy h VAL 53 N 0.73 1.41 -0.17 0.00 -1.51 -1.21 -2.63 116.25 112.86 2ksy h VAL 53 Ca 0.15 -1.46 -0.02 0.00 -1.23 0.00 0.00 66.70 64.14 2ksy h VAL 53 Cb 0.43 2.18 -0.01 0.00 -2.13 0.00 0.00 31.29 31.77 2ksy h VAL 53 CO 0.01 0.41 0.00 0.24 -1.23 0.00 0.00 177.57 177.00 2ksy h MET 54 N -0.24 0.25 -0.14 5.19 2.07 -1.25 -1.33 114.93 119.48 2ksy h MET 54 Ca 0.00 -0.03 -0.09 0.00 -2.07 0.00 0.00 59.70 57.51 2ksy h MET 54 Cb 0.74 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.41 2ksy h MET 54 CO 0.03 0.27 -0.30 0.00 1.07 0.00 0.00 176.91 177.98 2ksy h ALA 55 N 1.76 1.23 0.00 6.32 0.00 -0.73 -2.23 119.26 125.61 2ksy h ALA 55 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2ksy h ALA 55 Cb 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2ksy h ALA 55 CO 0.00 0.51 0.00 1.28 0.00 0.00 0.00 179.25 181.05 2ksy n LEU 56 N -4.11 0.00 0.00 0.00 4.77 -0.52 -4.73 117.00 112.41 2ksy n LEU 56 Ca -0.01 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2ksy n LEU 56 Cb 0.40 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2ksy n LEU 56 CO 0.41 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2ksy n GLY 57 N 1.19 2.53 3.77 -0.72 0.00 -0.84 -5.03 105.19 106.09 2ksy n GLY 57 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.23 2.82 0.00 1.61 0.11 -1.14 -2.79 120.40 118.78 2ksy s VAL 58 Ca 0.00 0.68 0.00 0.00 -2.93 0.00 0.00 61.98 59.73 2ksy s VAL 58 Cb 0.00 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 31.48 2ksy s VAL 58 CO 0.00 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.43 2ksy n GLY 59 N 0.61 1.50 3.61 6.54 0.00 -1.26 -4.15 105.19 112.04 2ksy n GLY 59 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.32 2.87 -0.15 1.61 0.52 -1.12 -2.40 118.94 117.95 2ksy s TRP 60 Ca 0.00 0.80 -0.02 0.00 0.02 0.00 0.00 56.10 56.89 2ksy s TRP 60 Cb 0.00 -4.31 -0.02 0.00 -1.15 0.00 0.00 33.47 27.99 2ksy s TRP 60 CO 0.00 -1.19 -0.08 0.54 0.02 0.00 0.00 176.95 176.25 2ksy s VAL 61 N 4.32 3.52 0.57 4.03 0.11 -0.80 -5.02 120.40 127.12 2ksy s VAL 61 Ca 0.47 -0.49 -0.18 0.00 -2.93 0.00 0.00 61.98 58.86 2ksy s VAL 61 Cb -0.08 -2.52 -0.05 0.00 -1.53 0.00 0.00 36.38 32.21 2ksy s VAL 61 CO 0.29 0.50 1.09 -2.16 -3.33 0.00 0.00 175.10 171.49 2ksy s PRO 62 N 0.40 3.32 -0.33 1.54 0.04 -1.26 -2.13 135.00 136.57 2ksy s PRO 62 Ca -0.07 1.42 -0.00 0.00 0.04 0.00 0.00 61.00 62.39 2ksy s PRO 62 Cb -0.15 -2.02 0.13 0.00 0.04 0.00 0.00 34.50 32.51 2ksy s PRO 62 CO 0.04 -0.84 0.25 0.08 0.04 0.00 0.00 177.00 176.57 2ksy s VAL 63 N -2.09 -0.13 0.00 -0.36 1.01 0.15 -4.85 120.40 114.12 2ksy s VAL 63 Ca 0.68 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2ksy s VAL 63 Cb -0.20 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.23 2ksy s VAL 63 CO 0.31 -0.73 0.00 0.00 0.00 0.00 0.00 175.10 174.68 2ksy n ALA 64 N 4.62 0.00 0.00 5.51 0.00 -1.26 -0.22 120.51 129.16 2ksy n ALA 64 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2ksy n ALA 64 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 1.39 -3.30 0.00 -0.58 -1.26 -5.06 120.64 111.84 2ksy n GLU 65 Ca 0.00 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.55 2ksy n GLU 65 Cb 0.00 -0.98 0.00 0.00 -0.57 0.00 0.00 31.44 29.89 2ksy n GLU 65 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2ksy s ARG 66 N -1.93 3.05 -0.10 3.49 1.81 0.69 -5.12 118.95 120.84 2ksy s ARG 66 Ca 0.00 -0.95 0.01 0.00 -1.72 0.00 0.00 55.73 53.06 2ksy s ARG 66 Cb 0.00 -2.76 0.02 0.00 -0.45 0.00 0.00 34.95 31.76 2ksy s ARG 66 CO 0.00 -0.06 -0.11 0.99 -0.68 0.00 0.00 175.30 175.44 2ksy s THR 67 N -2.28 1.19 0.03 0.02 2.01 -1.26 0.31 115.64 115.65 2ksy s THR 67 Ca 0.47 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 62.06 2ksy s THR 67 Cb -0.10 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 2ksy s THR 67 CO 0.33 0.39 0.03 0.68 -0.69 0.00 0.00 174.62 175.36 2ksy s VAL 68 N 1.31 4.34 -0.33 3.82 -7.23 -0.91 -4.97 120.40 116.43 2ksy s VAL 68 Ca -0.02 -0.65 -0.08 0.00 -1.81 0.00 0.00 61.98 59.42 2ksy s VAL 68 Cb -0.14 -3.00 0.02 0.00 0.56 0.00 0.00 36.38 33.82 2ksy s VAL 68 CO -0.05 0.28 0.13 -0.36 -0.31 0.00 0.00 175.10 174.80 2ksy s PHE 69 N -1.20 3.20 0.05 2.82 0.08 -1.26 -1.91 117.98 119.76 2ksy s PHE 69 Ca 0.23 -0.96 -0.22 0.00 0.12 0.00 0.00 56.93 56.11 2ksy s PHE 69 Cb -0.12 -2.33 -0.13 0.00 -0.57 0.00 0.00 43.02 39.87 2ksy s PHE 69 CO 0.15 -0.59 1.48 0.28 -0.10 0.00 0.00 175.22 176.43 2ksy h VAL 70 N 5.87 1.26 0.00 -0.44 2.07 -1.85 -3.03 116.25 120.13 2ksy h VAL 70 Ca -0.29 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2ksy h VAL 70 Cb 1.12 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2ksy h VAL 70 CO 0.62 0.24 0.00 1.55 0.02 0.00 0.00 177.57 180.00 2ksy h PRO 71 N -0.04 0.00 0.20 1.57 0.13 -1.91 -2.41 132.00 129.54 2ksy h PRO 71 Ca 0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 2ksy h PRO 71 Cb 0.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.50 2ksy h PRO 71 CO 0.01 0.00 -0.10 -0.09 -0.23 0.00 0.00 178.00 177.59 2ksy h ARG 72 N 0.00 -0.26 -0.05 0.86 2.43 -1.89 -1.25 114.38 114.21 2ksy h ARG 72 Ca 0.00 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 2ksy h ARG 72 Cb 0.28 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2ksy h ARG 72 CO 0.00 0.12 -0.52 1.88 -1.51 0.00 0.00 179.97 179.94 2ksy h TYR 73 N -0.91 0.18 -0.36 2.20 0.05 -1.56 -2.71 116.97 113.86 2ksy h TYR 73 Ca -0.03 -0.06 -0.16 0.00 0.05 0.00 0.00 58.73 58.53 2ksy h TYR 73 Cb 0.50 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 2ksy h TYR 73 CO 0.07 0.63 -0.41 0.97 -1.05 0.00 0.00 178.16 178.37 2ksy h ILE 74 N 0.12 1.27 -0.80 -2.88 -0.00 -1.52 -2.19 117.51 111.51 2ksy h ILE 74 Ca 0.00 -1.59 0.04 0.00 -0.00 0.00 0.00 64.86 63.31 2ksy h ILE 74 Cb 0.95 1.43 -0.05 0.00 -0.00 0.00 0.00 36.82 39.16 2ksy h ILE 74 CO 0.07 0.53 0.53 -0.78 -0.00 0.00 0.00 178.15 178.50 2ksy h ASP 75 N 0.73 0.84 -0.11 2.19 3.58 -1.02 -0.04 116.42 122.58 2ksy h ASP 75 Ca 0.05 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.40 2ksy h ASP 75 Cb 1.00 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 2ksy h ASP 75 CO 0.10 0.57 -0.22 -0.50 -2.88 0.00 0.00 179.24 176.31 2ksy h TRP 76 N 0.97 0.59 0.00 0.28 6.55 -1.21 0.38 115.95 123.50 2ksy h TRP 76 Ca 0.32 -0.12 -0.05 0.00 0.95 0.00 0.00 58.89 60.00 2ksy h TRP 76 Cb 0.08 -0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 28.22 2ksy h TRP 76 CO -0.00 0.71 -0.23 0.82 -1.05 0.00 0.00 178.44 178.68 2ksy h ILE 77 N 0.47 1.03 0.00 1.49 2.04 -0.40 0.11 117.51 122.26 2ksy h ILE 77 Ca 0.07 -0.84 -0.15 0.00 1.00 0.00 0.00 64.86 64.94 2ksy h ILE 77 Cb 0.64 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 2ksy h ILE 77 CO 0.05 0.23 -1.51 0.18 0.00 0.00 0.00 178.15 177.10 2ksy n LEU 78 N -4.06 0.71 -0.11 1.44 4.77 -0.76 -4.39 117.00 114.60 2ksy n LEU 78 Ca -0.02 0.31 -0.20 0.00 -0.03 0.00 0.00 56.01 56.07 2ksy n LEU 78 Cb 0.30 0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.39 2ksy n LEU 78 CO 0.36 0.13 -0.70 0.35 -1.33 0.00 0.00 177.39 176.19 2ksy n THR 79 N -2.80 1.51 -0.08 -5.08 -2.24 0.08 -4.13 114.28 101.54 2ksy n THR 79 Ca -0.10 -0.05 -0.08 0.00 -2.27 0.00 0.00 64.05 61.54 2ksy n THR 79 Cb 0.81 -2.09 -0.02 0.00 -2.10 0.00 0.00 70.33 66.93 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 -1.00 0.25 0.00 4.28 2.02 -1.02 0.15 112.91 117.60 2ksy h THR 80 Ca -0.35 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2ksy h THR 80 Cb 1.22 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2ksy h THR 80 CO -0.21 0.00 0.00 1.55 0.37 0.00 0.00 175.52 177.23 2ksy h PRO 81 N -0.29 0.00 0.03 6.66 0.13 -1.77 -1.09 132.00 135.67 2ksy h PRO 81 Ca 0.15 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.06 2ksy h PRO 81 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 2ksy h PRO 81 CO -0.48 0.00 -0.97 1.25 -0.23 0.00 0.00 178.00 177.58 2ksy h LEU 82 N 0.00 0.32 0.15 1.56 5.85 -0.90 -1.71 115.31 120.58 2ksy h LEU 82 Ca 0.00 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 2ksy h LEU 82 Cb 0.15 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2ksy h LEU 82 CO 0.00 1.11 -0.07 0.40 -0.34 0.00 0.00 178.44 179.54 2ksy h ILE 83 N 0.12 1.00 -0.04 4.05 1.08 -0.23 -1.75 117.51 121.73 2ksy h ILE 83 Ca -0.06 -0.89 -0.01 0.00 -0.39 0.00 0.00 64.86 63.51 2ksy h ILE 83 Cb 1.62 1.53 -0.00 0.00 -3.07 0.00 0.00 36.82 36.90 2ksy h ILE 83 CO 0.15 0.20 -0.04 -0.37 -0.69 0.00 0.00 178.15 177.41 2ksy h VAL 84 N -0.64 1.05 -0.19 1.67 -1.51 -1.58 0.39 116.25 115.44 2ksy h VAL 84 Ca -0.02 -0.22 -0.07 0.00 -1.23 0.00 0.00 66.70 65.16 2ksy h VAL 84 Cb 0.48 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 2ksy h VAL 84 CO 0.03 0.07 -0.20 0.22 -1.23 0.00 0.00 177.57 176.46 2ksy h TYR 85 N 0.05 0.35 0.14 5.19 3.20 -1.14 -1.32 116.97 123.45 2ksy h TYR 85 Ca 0.01 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 2ksy h TYR 85 Cb 0.10 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2ksy h TYR 85 CO 0.00 0.51 -0.07 0.35 -1.64 0.00 0.00 178.16 177.31 2ksy h PHE 86 N 0.29 -0.18 -0.25 -3.82 3.04 -0.00 -1.76 116.94 114.27 2ksy h PHE 86 Ca 0.05 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 2ksy h PHE 86 Cb 0.52 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.08 2ksy h PHE 86 CO 0.01 0.05 0.09 -0.07 -2.02 0.00 0.00 178.31 176.37 2ksy h LEU 87 N -0.39 0.30 -1.24 0.59 4.07 -1.30 -0.99 115.31 116.35 2ksy h LEU 87 Ca -0.02 -0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.84 2ksy h LEU 87 Cb 0.31 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 2ksy h LEU 87 CO 0.03 0.29 -0.35 1.23 -1.08 0.00 0.00 178.44 178.56 2ksy h GLY 88 N 0.49 0.00 1.02 0.83 0.00 -0.95 -2.33 103.07 102.13 2ksy h GLY 88 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.25 2ksy h GLY 88 CO -0.01 0.00 -0.52 1.41 0.00 0.00 0.00 176.54 177.42 2ksy h LEU 89 N 0.00 0.80 -0.29 3.11 3.38 -0.29 0.34 115.31 122.37 2ksy h LEU 89 Ca -0.00 -0.58 -0.03 0.00 0.09 0.00 0.00 57.88 57.36 2ksy h LEU 89 Cb 0.70 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2ksy h LEU 89 CO 0.05 1.24 0.05 -0.07 0.09 0.00 0.00 178.44 179.79 2ksy h LEU 90 N 0.41 0.46 0.22 1.67 3.38 -1.31 -3.29 115.31 116.84 2ksy h LEU 90 Ca -0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2ksy h LEU 90 Cb 1.14 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2ksy h LEU 90 CO 0.11 0.60 -0.11 0.00 0.09 0.00 0.00 178.44 179.13 2ksy h ALA 91 N 0.87 -0.30 -0.07 1.53 0.00 -1.48 -3.44 119.26 116.38 2ksy h ALA 91 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2ksy h ALA 91 Cb 0.34 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2ksy h ALA 91 CO 0.01 -0.38 0.00 0.41 0.00 0.00 0.00 179.25 179.29 2ksy n GLY 92 N 0.39 0.82 1.03 0.00 0.00 0.11 -4.34 105.19 103.20 2ksy n GLY 92 Ca -0.08 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.03 0.00 0.00 0.99 4.32 -1.20 -5.07 117.00 116.01 2ksy n LEU 93 Ca 0.00 -0.37 -0.09 0.00 -0.02 0.00 0.00 56.01 55.53 2ksy n LEU 93 Cb 0.01 -0.28 0.04 0.00 -1.62 0.00 0.00 43.42 41.57 2ksy n LEU 93 CO 0.00 -1.02 0.18 0.47 -1.22 0.00 0.00 177.39 175.80 2ksy n ASP 94 N -3.37 0.74 0.05 -1.43 9.92 -1.26 -4.92 116.55 116.28 2ksy n ASP 94 Ca 0.04 -1.57 -0.13 0.00 -0.53 0.00 0.00 54.79 52.61 2ksy n ASP 94 Cb 0.16 -0.21 -0.09 0.00 -0.64 0.00 0.00 41.12 40.34 2ksy n ASP 94 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2ksy h SER 95 N -0.08 -0.11 0.31 -2.24 0.02 -2.00 -2.51 113.55 106.94 2ksy h SER 95 Ca -0.12 -0.32 -0.19 0.00 -0.84 0.00 0.00 61.79 60.32 2ksy h SER 95 Cb 0.51 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 2ksy h SER 95 CO 0.15 0.27 -0.79 -0.09 -1.14 0.00 0.00 176.83 175.24 2ksy h ARG 96 N -0.52 0.38 -0.57 3.45 2.43 -2.00 -3.18 114.38 114.38 2ksy h ARG 96 Ca -0.01 -0.34 0.05 0.00 -0.81 0.00 0.00 59.98 58.87 2ksy h ARG 96 Cb 0.42 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.00 2ksy h ARG 96 CO 0.02 0.99 0.29 0.93 -1.51 0.00 0.00 179.97 180.70 2ksy h GLU 97 N 0.24 0.54 -0.62 0.20 3.07 -1.95 -1.54 114.58 114.53 2ksy h GLU 97 Ca -0.04 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.77 2ksy h GLU 97 Cb 1.38 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 29.14 2ksy h GLU 97 CO 0.13 0.36 0.31 0.74 -1.40 0.00 0.00 179.01 179.15 2ksy h PHE 98 N 0.56 0.88 0.00 4.33 0.04 -1.47 -2.30 116.94 118.98 2ksy h PHE 98 Ca 0.25 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 2ksy h PHE 98 Cb 0.16 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.04 2ksy h PHE 98 CO -0.10 0.66 -0.11 0.78 -0.60 0.00 0.00 178.31 178.93 2ksy h GLY 99 N 0.84 0.00 1.02 -1.45 0.00 -1.37 -1.91 103.07 100.20 2ksy h GLY 99 Ca 0.21 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.38 2ksy h GLY 99 CO -0.03 0.00 -0.55 -2.22 0.00 0.00 0.00 176.54 173.74 2ksy h ILE 100 N 0.00 1.32 -0.34 2.60 2.04 -0.75 -1.54 117.51 120.83 2ksy h ILE 100 Ca -0.00 -1.78 -0.08 0.00 1.00 0.00 0.00 64.86 64.00 2ksy h ILE 100 Cb 0.22 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 2ksy h ILE 100 CO 0.01 0.56 -0.09 0.58 0.00 0.00 0.00 178.15 179.22 2ksy h VAL 101 N 0.37 1.28 -0.02 1.67 2.07 -1.11 -2.39 116.25 118.12 2ksy h VAL 101 Ca -0.02 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 2ksy h VAL 101 Cb 1.17 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2ksy h VAL 101 CO 0.12 0.37 -0.01 0.40 0.02 0.00 0.00 177.57 178.47 2ksy h ILE 102 N 0.45 1.32 -0.51 4.57 1.08 -1.42 -2.72 117.51 120.28 2ksy h ILE 102 Ca 0.09 -0.97 0.06 0.00 -0.39 0.00 0.00 64.86 63.65 2ksy h ILE 102 Cb 0.59 1.93 -0.03 0.00 -3.07 0.00 0.00 36.82 36.24 2ksy h ILE 102 CO 0.03 0.26 0.34 0.00 -0.69 0.00 0.00 178.15 178.09 2ksy h THR 103 N -0.35 0.97 -0.12 -0.27 1.03 -1.33 -1.92 112.91 110.92 2ksy h THR 103 Ca 0.00 -0.15 -0.02 0.00 -0.01 0.00 0.00 66.41 66.24 2ksy h THR 103 Cb 0.42 0.49 -0.00 0.00 -1.07 0.00 0.00 68.15 67.99 2ksy h THR 103 CO 0.00 0.08 0.01 0.25 -0.01 0.00 0.00 175.52 175.85 2ksy h LEU 104 N 0.44 0.20 -2.25 0.00 5.85 -1.34 -2.60 115.31 115.60 2ksy h LEU 104 Ca 0.22 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2ksy h LEU 104 Cb 0.32 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 2ksy h LEU 104 CO -0.06 0.44 -0.04 0.78 -0.34 0.00 0.00 178.44 179.22 2ksy h ASN 105 N -0.05 0.00 0.42 1.25 -0.26 -1.05 -2.12 115.58 113.78 2ksy h ASN 105 Ca 0.03 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.75 2ksy h ASN 105 Cb 0.33 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 2ksy h ASN 105 CO 0.00 0.04 -0.20 0.74 -1.06 0.00 0.00 177.43 176.95 2ksy h THR 106 N 0.00 0.33 -0.78 2.81 2.02 -1.01 -0.58 112.91 115.70 2ksy h THR 106 Ca -0.00 -0.60 0.04 0.00 0.77 0.00 0.00 66.41 66.62 2ksy h THR 106 Cb 0.08 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 2ksy h THR 106 CO 0.00 0.07 0.51 1.62 0.37 0.00 0.00 175.52 178.09 2ksy h VAL 107 N -1.02 1.11 0.14 3.16 3.04 -1.31 0.12 116.25 121.48 2ksy h VAL 107 Ca -0.06 -0.32 -0.01 0.00 -1.01 0.00 0.00 66.70 65.31 2ksy h VAL 107 Cb 0.55 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 29.92 2ksy h VAL 107 CO 0.10 0.17 -0.07 0.58 -1.01 0.00 0.00 177.57 177.34 2ksy h VAL 108 N 0.93 1.01 -0.24 1.51 2.07 -1.42 -0.56 116.25 119.55 2ksy h VAL 108 Ca 0.31 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2ksy h VAL 108 Cb 0.08 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2ksy h VAL 108 CO -0.09 0.16 0.09 -0.03 0.02 0.00 0.00 177.57 177.71 2ksy h MET 109 N -0.51 0.33 -0.01 1.57 4.05 -0.75 -0.75 114.93 118.87 2ksy h MET 109 Ca -0.02 -0.04 -0.13 0.00 -0.28 0.00 0.00 59.70 59.23 2ksy h MET 109 Cb 0.40 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.11 2ksy h MET 109 CO 0.03 0.29 -0.62 -0.07 0.23 0.00 0.00 176.91 176.77 2ksy h LEU 110 N 0.34 0.03 -0.44 3.39 3.38 -0.62 -0.94 115.31 120.44 2ksy h LEU 110 Ca 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2ksy h LEU 110 Cb 0.09 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2ksy h LEU 110 CO -0.01 0.64 0.29 0.00 0.09 0.00 0.00 178.44 179.45 2ksy h ALA 111 N 1.36 0.56 -0.30 1.53 0.00 0.43 -0.97 119.26 121.88 2ksy h ALA 111 Ca -0.01 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2ksy h ALA 111 Cb 1.10 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2ksy h ALA 111 CO 0.08 0.01 -0.36 0.78 0.00 0.00 0.00 179.25 179.76 2ksy h GLY 112 N 0.60 0.84 -0.04 0.00 0.00 -1.35 0.03 103.07 103.14 2ksy h GLY 112 Ca 0.16 -0.90 0.01 0.00 0.00 0.00 0.00 47.33 46.61 2ksy h GLY 112 CO -0.03 0.81 -0.22 -2.75 0.00 0.00 0.00 176.54 174.34 2ksy h PHE 113 N 0.53 -0.66 0.00 5.60 3.04 -0.82 0.14 116.94 124.77 2ksy h PHE 113 Ca 0.04 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.01 2ksy h PHE 113 Cb 0.95 0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.75 2ksy h PHE 113 CO 0.07 -0.22 0.00 0.00 -2.02 0.00 0.00 178.31 176.14 2ksy h ALA 114 N -0.99 1.00 -0.27 2.41 0.00 -1.26 -2.96 119.26 117.19 2ksy h ALA 114 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2ksy h ALA 114 Cb 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2ksy h ALA 114 CO -0.17 0.00 -0.13 0.78 0.00 0.00 0.00 179.25 179.72 2ksy h GLY 115 N 0.90 0.09 2.00 0.00 0.00 0.13 -0.67 103.07 105.52 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 -0.15 0.00 0.00 0.00 0.00 0.00 176.54 176.39 2ksy h ALA 116 N 1.12 1.00 -0.06 3.60 0.00 -1.30 -3.20 119.26 120.42 2ksy h ALA 116 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2ksy h ALA 116 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2ksy h ALA 116 CO -0.34 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.58 2ksy n MET 117 N -2.85 1.35 -3.29 0.00 2.00 -0.27 -4.85 117.12 109.20 2ksy n MET 117 Ca 0.04 -0.30 -0.39 0.00 0.00 0.00 0.00 57.70 57.06 2ksy n MET 117 Cb 0.46 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 32.12 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 -1.27 4.83 -1.93 2.03 -7.23 -1.12 -4.97 120.40 110.72 2ksy s VAL 118 Ca 0.05 1.16 0.27 0.00 -1.81 0.00 0.00 61.98 61.65 2ksy s VAL 118 Cb 0.04 -3.88 0.35 0.00 0.56 0.00 0.00 36.38 33.45 2ksy s VAL 118 CO 0.02 0.53 1.62 -0.81 -0.31 0.00 0.00 175.10 176.14 2ksy n PRO 119 N 1.99 1.04 0.00 4.82 -0.04 -1.26 -4.89 135.00 136.65 2ksy n PRO 119 Ca -0.10 -0.60 0.00 0.00 -0.04 0.00 0.00 63.50 62.76 2ksy n PRO 119 Cb 0.51 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 2ksy n PRO 119 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ksy n GLY 120 N 1.30 3.10 0.11 0.55 0.00 -1.26 -5.04 105.19 103.95 2ksy n GLY 120 Ca 0.14 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.78 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 0.94 0.30 -0.61 -5.35 -1.26 -4.74 119.36 108.63 2ksy n ILE 121 Ca 0.00 -1.06 0.19 0.00 -0.27 0.00 0.00 62.75 61.61 2ksy n ILE 121 Cb 0.00 0.35 0.99 0.00 -1.74 0.00 0.00 39.64 39.24 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 0.00 0.00 -0.74 6.28 5.08 -1.93 -2.64 114.58 120.62 2ksy h GLU 122 Ca 0.00 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.57 2ksy h GLU 122 Cb 0.90 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 2ksy h GLU 122 CO 0.00 0.00 0.53 0.07 -1.00 0.00 0.00 179.01 178.61 2ksy h ARG 123 N 0.00 0.01 -0.10 2.33 0.11 -1.85 0.93 114.38 115.80 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 0.08 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.15 2ksy h ARG 123 CO 0.00 0.01 -0.42 1.88 0.10 0.00 0.00 179.97 181.53 2ksy h TYR 124 N 0.01 0.28 0.23 4.08 0.05 -1.82 -2.67 116.97 117.14 2ksy h TYR 124 Ca 0.35 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 59.04 2ksy h TYR 124 Cb 1.41 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 39.09 2ksy h TYR 124 CO -0.00 0.63 -0.11 0.00 -1.05 0.00 0.00 178.16 177.63 2ksy h ALA 125 N 1.36 -0.31 -0.70 3.88 0.00 -1.03 -1.58 119.26 120.89 2ksy h ALA 125 Ca 0.02 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.87 2ksy h ALA 125 Cb 0.83 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 2ksy h ALA 125 CO 0.07 -0.36 0.23 -0.07 0.00 0.00 0.00 179.25 179.11 2ksy h LEU 126 N -0.94 0.16 -0.62 0.00 3.38 -1.55 -0.04 115.31 115.69 2ksy h LEU 126 Ca -0.03 0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 2ksy h LEU 126 Cb 0.48 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2ksy h LEU 126 CO 0.05 0.06 -0.19 0.15 0.09 0.00 0.00 178.44 178.61 2ksy h PHE 127 N 0.37 1.01 -0.90 1.13 3.57 -1.56 -2.55 116.94 118.01 2ksy h PHE 127 Ca 0.38 -0.22 0.24 0.00 3.53 0.00 0.00 57.97 61.89 2ksy h PHE 127 Cb 0.57 -0.24 -0.13 0.00 2.79 0.00 0.00 35.95 38.93 2ksy h PHE 127 CO -0.20 1.00 0.35 0.78 -2.23 0.00 0.00 178.31 178.00 2ksy h GLY 128 N 0.94 1.53 1.06 2.40 0.00 0.05 0.49 103.07 109.54 2ksy h GLY 128 Ca 0.11 -0.12 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 2ksy h GLY 128 CO 0.06 -0.34 -0.50 1.98 0.00 0.00 0.00 176.54 177.73 2ksy h MET 129 N 0.31 0.76 0.00 4.80 1.85 -1.27 -2.89 114.93 118.49 2ksy h MET 129 Ca 0.58 -0.50 -0.03 0.00 -0.61 0.00 0.00 59.70 59.13 2ksy h MET 129 Cb 1.17 0.07 -0.00 0.00 0.43 0.00 0.00 31.60 33.26 2ksy h MET 129 CO -0.59 1.13 -0.16 0.78 -0.40 0.00 0.00 176.91 177.66 2ksy h GLY 130 N 0.50 0.00 0.27 1.39 0.00 0.10 0.52 103.07 105.85 2ksy h GLY 130 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ksy h GLY 130 CO 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.60 2ksy h ALA 131 N 1.84 -0.13 -0.96 3.60 0.00 -0.21 0.18 119.26 123.57 2ksy h ALA 131 Ca -0.00 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.67 2ksy h ALA 131 Cb 0.31 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 2ksy h ALA 131 CO 0.02 -0.21 0.63 0.28 0.00 0.00 0.00 179.25 179.98 2ksy h VAL 132 N -0.87 1.21 -0.22 0.00 2.07 -1.43 -1.08 116.25 115.93 2ksy h VAL 132 Ca -0.01 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 66.98 2ksy h VAL 132 Cb 0.57 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2ksy h VAL 132 CO 0.02 0.23 -0.28 0.00 0.02 0.00 0.00 177.57 177.56 2ksy h ALA 133 N 1.37 1.12 0.01 1.67 0.00 -0.94 -2.70 119.26 119.79 2ksy h ALA 133 Ca 0.37 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2ksy h ALA 133 Cb -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2ksy h ALA 133 CO -0.10 0.55 -0.17 0.35 0.00 0.00 0.00 179.25 179.89 2ksy h PHE 134 N 0.37 -0.44 -0.54 0.00 3.57 0.67 -0.34 116.94 120.23 2ksy h PHE 134 Ca 0.05 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.62 2ksy h PHE 134 Cb 0.69 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 2ksy h PHE 134 CO 0.02 -0.25 0.36 0.82 -2.23 0.00 0.00 178.31 177.03 2ksy h ILE 135 N -0.28 1.01 -0.51 1.41 2.04 -1.33 0.00 117.51 119.85 2ksy h ILE 135 Ca 0.05 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 2ksy h ILE 135 Cb 0.35 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 2ksy h ILE 135 CO -0.15 0.10 0.11 1.23 0.00 0.00 0.00 178.15 179.44 2ksy h GLY 136 N 0.54 0.84 0.44 5.37 0.00 -0.82 0.07 103.07 109.51 2ksy h GLY 136 Ca 0.23 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 2ksy h GLY 136 CO -0.06 0.45 -0.08 -2.00 0.00 0.00 0.00 176.54 174.86 2ksy h LEU 137 N 0.76 -0.18 -1.81 3.11 5.85 0.52 -2.71 115.31 120.85 2ksy h LEU 137 Ca 0.17 -0.36 0.11 0.00 0.84 0.00 0.00 57.88 58.64 2ksy h LEU 137 Cb 0.29 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2ksy h LEU 137 CO -0.00 0.33 0.36 -0.37 -0.34 0.00 0.00 178.44 178.42 2ksy h VAL 138 N -0.78 0.84 -0.19 1.05 -1.51 -1.12 -0.09 116.25 114.45 2ksy h VAL 138 Ca -0.02 -0.07 -0.00 0.00 -1.23 0.00 0.00 66.70 65.37 2ksy h VAL 138 Cb 0.53 0.61 -0.01 0.00 -2.13 0.00 0.00 31.29 30.29 2ksy h VAL 138 CO 0.04 0.04 0.12 0.22 -1.23 0.00 0.00 177.57 176.75 2ksy h TYR 139 N 0.21 0.25 -0.88 5.19 3.20 -0.90 -2.20 116.97 121.85 2ksy h TYR 139 Ca 0.24 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.20 2ksy h TYR 139 Cb 0.68 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.81 2ksy h TYR 139 CO -0.00 0.20 0.57 1.88 -1.64 0.00 0.00 178.16 179.17 2ksy h TYR 140 N 0.23 0.95 -0.37 -3.82 0.05 -0.69 0.78 116.97 114.11 2ksy h TYR 140 Ca 0.07 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.82 2ksy h TYR 140 Cb 0.02 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.43 2ksy h TYR 140 CO -0.05 0.46 -0.00 -0.07 -1.05 0.00 0.00 178.16 177.44 2ksy h LEU 141 N 0.90 0.54 -0.33 3.88 3.38 -0.98 -2.22 115.31 120.48 2ksy h LEU 141 Ca 0.40 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2ksy h LEU 141 Cb 0.34 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2ksy h LEU 141 CO -0.16 0.62 -0.54 0.52 0.09 0.00 0.00 178.44 178.96 2ksy n VAL 142 N -4.26 0.00 0.00 1.22 0.31 -0.34 -3.99 118.33 111.27 2ksy n VAL 142 Ca 0.02 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2ksy n VAL 142 Cb 0.26 0.66 0.00 0.00 -0.91 0.00 0.00 33.84 33.85 2ksy n VAL 142 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ksy n GLY 143 N 1.44 -0.35 0.30 2.92 0.00 0.26 -4.56 105.19 105.20 2ksy n GLY 143 Ca 0.08 -0.36 0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.68 1.61 0.13 -1.87 -2.63 132.00 128.56 2ksy h PRO 144 Ca 0.00 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.30 2ksy h PRO 144 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2ksy h PRO 144 CO 0.00 0.04 0.47 0.52 -0.23 0.00 0.00 178.00 178.80 2ksy h MET 145 N 0.00 0.19 -0.10 0.86 2.86 -1.80 0.21 114.93 117.15 2ksy h MET 145 Ca -0.00 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 2ksy h MET 145 Cb 0.13 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2ksy h MET 145 CO 0.00 0.12 -0.25 1.79 1.06 0.00 0.00 176.91 179.64 2ksy h THR 146 N 0.19 1.40 0.00 2.22 1.35 -1.60 -2.64 112.91 113.84 2ksy h THR 146 Ca 0.33 -1.58 -0.11 0.00 -0.55 0.00 0.00 66.41 64.51 2ksy h THR 146 Cb 1.03 2.17 -0.02 0.00 -1.73 0.00 0.00 68.15 69.60 2ksy h THR 146 CO -0.06 0.46 -0.51 -0.33 -0.25 0.00 0.00 175.52 174.82 2ksy h GLU 147 N -0.11 0.00 -0.22 4.72 5.08 -1.46 -1.63 114.58 120.97 2ksy h GLU 147 Ca -0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 2ksy h GLU 147 Cb 0.86 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2ksy h GLU 147 CO 0.05 0.51 -0.27 1.03 -1.00 0.00 0.00 179.01 179.34 2ksy h SER 148 N 0.00 0.62 -0.05 1.42 0.87 -0.65 -2.49 113.55 113.27 2ksy h SER 148 Ca -0.01 -0.50 -0.25 0.00 -1.23 0.00 0.00 61.79 59.80 2ksy h SER 148 Cb 1.03 -0.17 0.02 0.00 -0.44 0.00 0.00 62.40 62.83 2ksy h SER 148 CO 0.07 0.99 -0.95 0.00 -0.53 0.00 0.00 176.83 176.41 2ksy h ALA 149 N 0.64 0.18 0.00 6.23 0.00 -1.47 -2.49 119.26 122.35 2ksy h ALA 149 Ca 0.03 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2ksy h ALA 149 Cb 0.84 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2ksy h ALA 149 CO 0.06 0.68 -0.05 0.77 0.00 0.00 0.00 179.25 180.71 2ksy h SER 150 N 0.43 0.00 -0.38 0.00 0.02 -1.34 -1.34 113.55 110.94 2ksy h SER 150 Ca -0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2ksy h SER 150 Cb 1.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.14 2ksy h SER 150 CO 0.19 0.05 0.00 0.00 -1.14 0.00 0.00 176.83 175.93 2ksy n GLN 151 N -3.44 2.36 -0.08 3.45 6.02 -0.94 -4.51 117.38 120.24 2ksy n GLN 151 Ca -0.02 -2.10 -0.15 0.00 -0.01 0.00 0.00 57.00 54.73 2ksy n GLN 151 Cb 0.18 -1.39 -0.10 0.00 1.02 0.00 0.00 30.24 29.94 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 3.24 0.00 -3.19 -1.09 9.65 -0.76 -3.50 114.38 118.73 2ksy h ARG 152 Ca 0.00 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.91 2ksy h ARG 152 Cb 0.82 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.34 2ksy h ARG 152 CO 0.00 0.83 0.13 0.45 2.80 0.00 0.00 179.97 184.18 2ksy s SER 153 N -6.34 -0.21 0.13 -3.80 0.15 -1.23 -5.01 113.70 97.39 2ksy s SER 153 Ca -0.20 -0.70 -0.11 0.00 0.70 0.00 0.00 55.95 55.64 2ksy s SER 153 Cb 0.01 0.69 -0.07 0.00 -1.71 0.00 0.00 66.02 64.94 2ksy s SER 153 CO 0.55 -1.29 1.43 0.77 1.20 0.00 0.00 173.24 175.90 2ksy h SER 154 N 2.07 0.97 0.34 5.45 4.64 -1.91 -3.22 113.55 121.89 2ksy h SER 154 Ca -0.21 -0.51 -0.25 0.00 -0.47 0.00 0.00 61.79 60.35 2ksy h SER 154 Cb 1.25 -0.28 0.01 0.00 -0.31 0.00 0.00 62.40 63.07 2ksy h SER 154 CO 0.27 1.30 -1.07 1.23 -0.87 0.00 0.00 176.83 177.69 2ksy h GLY 155 N 0.72 0.49 0.20 -0.77 0.00 -1.96 -3.28 103.07 98.47 2ksy h GLY 155 Ca 0.02 -0.96 0.19 0.00 0.00 0.00 0.00 47.33 46.59 2ksy h GLY 155 CO 0.12 0.85 0.61 -2.22 0.00 0.00 0.00 176.54 175.90 2ksy h ILE 156 N 0.22 0.71 -0.12 2.60 1.08 -1.85 -1.43 117.51 118.71 2ksy h ILE 156 Ca -0.11 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 2ksy h ILE 156 Cb 1.73 -0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 2ksy h ILE 156 CO 0.19 0.12 0.08 0.50 -0.69 0.00 0.00 178.15 178.35 2ksy h LYS 157 N 0.65 0.16 -0.19 2.37 3.64 -1.62 0.11 116.57 121.70 2ksy h LYS 157 Ca 0.54 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.89 2ksy h LYS 157 Cb 0.98 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 2ksy h LYS 157 CO -0.30 0.11 0.07 1.03 -2.27 0.00 0.00 179.45 178.08 2ksy h SER 158 N 0.17 0.28 0.22 4.20 0.87 -1.43 -0.87 113.55 116.99 2ksy h SER 158 Ca 0.05 -0.19 -0.09 0.00 -1.23 0.00 0.00 61.79 60.32 2ksy h SER 158 Cb -0.02 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2ksy h SER 158 CO -0.01 0.40 -0.35 0.25 -0.53 0.00 0.00 176.83 176.59 2ksy h LEU 159 N 0.15 0.19 -0.07 2.23 6.46 -1.33 -2.81 115.31 120.14 2ksy h LEU 159 Ca 0.06 -0.07 -0.13 0.00 -0.12 0.00 0.00 57.88 57.62 2ksy h LEU 159 Cb 0.21 -0.05 0.01 0.00 -0.73 0.00 0.00 40.66 40.10 2ksy h LEU 159 CO -0.00 0.53 -0.47 0.22 -0.62 0.00 0.00 178.44 178.09 2ksy h TYR 160 N 0.16 0.60 -0.78 1.25 3.20 -0.59 -2.61 116.97 118.21 2ksy h TYR 160 Ca 0.02 -0.28 -0.02 0.00 3.14 0.00 0.00 58.73 61.59 2ksy h TYR 160 Cb 0.69 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 2ksy h TYR 160 CO 0.01 1.06 0.40 -0.39 -1.64 0.00 0.00 178.16 177.60 2ksy h VAL 161 N -0.02 1.24 -0.44 1.81 -1.51 -1.13 0.15 116.25 116.35 2ksy h VAL 161 Ca -0.04 -0.64 -0.11 0.00 -1.23 0.00 0.00 66.70 64.68 2ksy h VAL 161 Cb 1.14 0.23 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 2ksy h VAL 161 CO 0.10 0.28 -0.16 0.03 -1.23 0.00 0.00 177.57 176.59 2ksy h ARG 162 N 1.09 0.89 0.20 5.19 3.08 -1.57 -2.36 114.38 120.90 2ksy h ARG 162 Ca 0.27 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2ksy h ARG 162 Cb 0.08 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2ksy h ARG 162 CO -0.04 1.01 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.71 2ksy h LEU 163 N 0.72 -0.23 -0.07 3.04 4.07 -1.23 -2.63 115.31 118.98 2ksy h LEU 163 Ca 0.11 -0.30 0.04 0.00 0.08 0.00 0.00 57.88 57.81 2ksy h LEU 163 Cb 0.71 0.06 -0.05 0.00 1.08 0.00 0.00 40.66 42.46 2ksy h LEU 163 CO 0.05 0.29 -0.22 -0.09 -1.08 0.00 0.00 178.44 177.39 2ksy h ARG 164 N -0.87 -0.29 0.00 1.13 1.12 -0.80 0.68 114.38 115.35 2ksy h ARG 164 Ca -0.03 0.02 0.02 0.00 -1.11 0.00 0.00 59.98 58.88 2ksy h ARG 164 Cb 0.51 0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.51 2ksy h ARG 164 CO 0.05 -0.20 -0.12 -0.91 -3.11 0.00 0.00 179.97 175.68 2ksy h ASN 165 N -0.30 -0.34 0.11 -3.80 -0.26 -1.55 -1.78 115.58 107.66 2ksy h ASN 165 Ca 0.08 0.05 0.01 0.00 -0.56 0.00 0.00 56.30 55.88 2ksy h ASN 165 Cb 0.42 0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.81 2ksy h ASN 165 CO -0.25 -0.17 -0.12 0.25 -1.06 0.00 0.00 177.43 176.08 2ksy h LEU 166 N -0.20 -0.33 0.03 1.61 6.46 -1.22 -2.71 115.31 118.95 2ksy h LEU 166 Ca 0.04 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 2ksy h LEU 166 Cb 0.26 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.27 2ksy h LEU 166 CO -0.12 -0.19 -0.21 0.74 -0.62 0.00 0.00 178.44 178.05 2ksy h THR 167 N -0.27 0.51 -0.94 1.05 2.02 -0.75 -2.67 112.91 111.86 2ksy h THR 167 Ca 0.01 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.29 2ksy h THR 167 Cb 0.26 0.51 -0.08 0.00 -1.74 0.00 0.00 68.15 67.10 2ksy h THR 167 CO -0.04 0.00 0.58 0.58 0.37 0.00 0.00 175.52 177.01 2ksy h VAL 168 N -0.36 0.94 0.53 3.16 2.07 -1.29 0.15 116.25 121.46 2ksy h VAL 168 Ca 0.05 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 2ksy h VAL 168 Cb 0.42 -0.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2ksy h VAL 168 CO -0.17 0.17 -0.25 0.58 0.02 0.00 0.00 177.57 177.92 2ksy h VAL 169 N 0.95 0.00 0.00 2.57 2.07 -1.15 -0.57 116.25 120.12 2ksy h VAL 169 Ca 0.45 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.93 2ksy h VAL 169 Cb 0.40 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2ksy h VAL 169 CO -0.25 0.00 -0.15 0.17 0.02 0.00 0.00 177.57 177.36 2ksy h LEU 170 N -0.73 0.00 -0.72 2.57 8.10 -1.40 -1.85 115.31 121.28 2ksy h LEU 170 Ca -0.07 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.78 2ksy h LEU 170 Cb 0.55 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.75 2ksy h LEU 170 CO 0.12 0.15 -0.61 -0.50 -4.11 0.00 0.00 178.44 173.49 2ksy h TRP 171 N 0.00 0.13 0.00 0.17 4.06 -0.63 -2.54 115.95 117.14 2ksy h TRP 171 Ca -0.00 -0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.90 2ksy h TRP 171 Cb 0.32 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.45 2ksy h TRP 171 CO 0.00 0.68 0.00 0.00 -3.56 0.00 0.00 178.44 175.56 2ksy n ALA 172 N -2.44 2.02 0.11 1.49 0.00 -0.23 -2.29 120.51 119.17 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 0.61 -1.32 0.01 0.00 0.00 0.00 0.00 19.45 18.75 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 0.19 -0.30 0.00 1.08 -1.42 -3.37 117.51 113.68 2ksy h ILE 173 Ca 0.00 -1.33 0.06 0.00 -0.39 0.00 0.00 64.86 63.19 2ksy h ILE 173 Cb 0.20 1.77 -0.05 0.00 -3.07 0.00 0.00 36.82 35.67 2ksy h ILE 173 CO 0.00 0.11 -0.04 1.88 -0.69 0.00 0.00 178.15 179.41 2ksy h TYR 174 N 0.00 -0.09 -1.03 1.37 0.05 -1.55 -1.32 116.97 114.40 2ksy h TYR 174 Ca -0.04 0.02 0.30 0.00 0.05 0.00 0.00 58.73 59.07 2ksy h TYR 174 Cb 1.17 0.08 -0.04 0.00 1.01 0.00 0.00 36.73 38.95 2ksy h TYR 174 CO 0.00 -0.09 0.85 -1.35 -1.05 0.00 0.00 178.16 176.51 2ksy h PRO 175 N 0.05 0.00 0.01 4.88 0.11 -1.77 -0.22 132.00 135.05 2ksy h PRO 175 Ca 0.15 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 2ksy h PRO 175 Cb 0.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.32 2ksy h PRO 175 CO -0.28 0.00 -0.10 0.74 -0.21 0.00 0.00 178.00 178.15 2ksy h PHE 176 N 0.00 0.04 -0.49 0.65 0.04 -1.50 -3.08 116.94 112.60 2ksy h PHE 176 Ca 0.49 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.24 2ksy h PHE 176 Cb 2.18 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 40.30 2ksy h PHE 176 CO 0.00 1.04 0.32 0.82 -0.60 0.00 0.00 178.31 179.89 2ksy h ILE 177 N -0.96 1.13 -0.56 -0.55 1.08 -0.75 0.13 117.51 117.03 2ksy h ILE 177 Ca -0.02 -0.24 -0.10 0.00 -0.39 0.00 0.00 64.86 64.11 2ksy h ILE 177 Cb 1.06 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 35.20 2ksy h ILE 177 CO 0.00 0.12 -0.04 -0.25 -0.69 0.00 0.00 178.15 177.30 2ksy h TRP 178 N 0.66 1.12 0.18 1.37 7.01 -1.46 0.48 115.95 125.32 2ksy h TRP 178 Ca 0.18 -0.21 -0.01 0.00 2.11 0.00 0.00 58.89 60.96 2ksy h TRP 178 Cb -0.07 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 26.71 2ksy h TRP 178 CO -0.04 1.02 -0.09 1.25 -2.79 0.00 0.00 178.44 177.79 2ksy h LEU 179 N 0.90 -0.21 0.03 0.65 7.12 -1.38 -3.08 115.31 119.34 2ksy h LEU 179 Ca 0.15 -0.19 -0.00 0.00 0.13 0.00 0.00 57.88 57.97 2ksy h LEU 179 Cb 0.60 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.79 2ksy h LEU 179 CO 0.04 0.08 -0.01 -0.07 -0.13 0.00 0.00 178.44 178.35 2ksy h LEU 180 N -0.51 -0.03 0.00 2.25 3.38 -0.76 0.38 115.31 120.02 2ksy h LEU 180 Ca -0.03 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.28 2ksy h LEU 180 Cb 0.39 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2ksy h LEU 180 CO 0.04 0.75 0.00 0.61 0.09 0.00 0.00 178.44 179.93 2ksy n GLY 181 N 1.31 -2.71 2.92 0.83 0.00 0.17 -2.18 105.19 105.52 2ksy n GLY 181 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 2ksy n GLY 181 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ksy n PRO 182 N -0.22 -1.14 0.00 1.61 -0.02 -1.16 -4.20 135.00 129.86 2ksy n PRO 182 Ca 0.00 -0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.14 2ksy n PRO 182 Cb 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 2ksy n PRO 182 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2ksy n PRO 183 N 0.13 0.00 0.07 0.52 -0.02 -1.26 -3.37 135.00 131.08 2ksy n PRO 183 Ca 0.03 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.45 2ksy n PRO 183 Cb 0.26 -1.09 -0.03 0.00 -0.02 0.00 0.00 33.50 32.62 2ksy n PRO 183 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2ksy h GLY 184 N 0.00 -0.98 0.00 -1.23 0.00 -1.70 -3.40 103.07 95.76 2ksy h GLY 184 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.78 2ksy h GLY 184 CO 0.00 -0.33 0.00 3.33 0.00 0.00 0.00 176.54 179.54 2ksy n VAL 185 N -3.30 0.00 -3.42 4.60 0.24 0.12 -5.00 118.33 111.57 2ksy n VAL 185 Ca -0.03 -0.14 -0.32 0.00 -2.04 0.00 0.00 64.34 61.80 2ksy n VAL 185 Cb 0.14 1.39 0.03 0.00 -1.47 0.00 0.00 33.84 33.93 2ksy n VAL 185 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ksy n ALA 186 N -0.13 -2.46 -0.11 2.33 0.00 -1.10 -4.96 120.51 114.09 2ksy n ALA 186 Ca 0.00 0.42 -0.24 0.00 0.00 0.00 0.00 53.44 53.62 2ksy n ALA 186 Cb 0.10 -2.37 -0.11 0.00 0.00 0.00 0.00 19.45 17.07 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 -0.43 1.90 0.00 0.00 4.77 -0.93 -5.03 117.00 117.28 2ksy n LEU 187 Ca -0.07 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2ksy n LEU 187 Cb 0.65 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2ksy n LEU 187 CO 0.55 0.37 0.00 0.18 -1.33 0.00 0.00 177.39 177.16 2ksy n LEU 188 N -4.36 0.00 -4.84 2.23 4.77 -1.26 -5.12 117.00 108.42 2ksy n LEU 188 Ca -0.39 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.26 2ksy n LEU 188 Cb 0.75 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.78 2ksy n LEU 188 CO 0.15 -0.08 0.42 0.28 -1.33 0.00 0.00 177.39 176.82 2ksy s THR 189 N 0.13 4.64 0.26 -5.08 -1.32 -1.26 -4.97 115.64 108.03 2ksy s THR 189 Ca 0.00 1.06 -0.02 0.00 -1.21 0.00 0.00 61.69 61.52 2ksy s THR 189 Cb 0.00 -3.69 0.25 0.00 -1.51 0.00 0.00 72.50 67.54 2ksy s THR 189 CO 0.00 -0.05 1.70 -0.65 -2.21 0.00 0.00 174.62 173.41 2ksy h PRO 190 N 2.65 0.34 -0.67 7.08 0.11 -2.00 -0.93 132.00 138.59 2ksy h PRO 190 Ca -0.48 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.71 2ksy h PRO 190 Cb 1.18 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 2ksy h PRO 190 CO 0.65 0.22 0.44 0.00 -0.21 0.00 0.00 178.00 179.11 2ksy h THR 191 N 0.35 0.90 0.18 -1.15 1.03 -1.98 0.70 112.91 112.94 2ksy h THR 191 Ca 0.45 -0.17 -0.01 0.00 -0.01 0.00 0.00 66.41 66.67 2ksy h THR 191 Cb 0.78 0.36 0.00 0.00 -1.07 0.00 0.00 68.15 68.22 2ksy h THR 191 CO -0.49 0.09 -0.09 0.58 -0.01 0.00 0.00 175.52 175.60 2ksy h VAL 192 N 0.50 0.83 -0.34 0.00 2.07 -1.56 -2.15 116.25 115.60 2ksy h VAL 192 Ca 0.31 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 2ksy h VAL 192 Cb 0.55 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2ksy h VAL 192 CO -0.10 0.21 0.17 -2.24 0.02 0.00 0.00 177.57 175.63 2ksy h ASP 193 N -0.84 0.44 -0.67 0.57 3.04 -1.35 -2.29 116.42 115.31 2ksy h ASP 193 Ca -0.02 -0.12 0.05 0.00 -3.24 0.00 0.00 57.03 53.70 2ksy h ASP 193 Cb 0.52 -0.11 -0.04 0.00 -1.04 0.00 0.00 39.33 38.66 2ksy h ASP 193 CO 0.04 0.43 0.44 0.58 -2.04 0.00 0.00 179.24 178.69 2ksy h VAL 194 N 0.41 1.06 -0.18 4.15 2.07 -0.97 -0.86 116.25 121.94 2ksy h VAL 194 Ca 0.12 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2ksy h VAL 194 Cb 0.10 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2ksy h VAL 194 CO -0.02 0.14 0.12 0.00 0.02 0.00 0.00 177.57 177.83 2ksy h ALA 195 N 1.62 0.23 -0.28 1.67 0.00 -0.82 0.53 119.26 122.21 2ksy h ALA 195 Ca 0.28 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 2ksy h ALA 195 Cb 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2ksy h ALA 195 CO -0.08 -0.30 -0.28 -0.07 0.00 0.00 0.00 179.25 178.53 2ksy h LEU 196 N 0.24 0.58 0.64 0.00 3.38 -1.15 -1.45 115.31 117.55 2ksy h LEU 196 Ca 0.07 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2ksy h LEU 196 Cb -0.02 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2ksy h LEU 196 CO -0.02 0.83 -0.39 0.40 0.09 0.00 0.00 178.44 179.36 2ksy h ILE 197 N 0.49 0.21 -0.82 1.22 1.08 -0.70 0.74 117.51 119.74 2ksy h ILE 197 Ca 0.07 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.69 2ksy h ILE 197 Cb 0.73 0.21 -0.06 0.00 -3.07 0.00 0.00 36.82 34.64 2ksy h ILE 197 CO 0.06 0.00 0.54 0.58 -0.69 0.00 0.00 178.15 178.64 2ksy h VAL 198 N -0.97 0.79 -0.01 1.67 2.07 -0.85 0.35 116.25 119.30 2ksy h VAL 198 Ca -0.08 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 2ksy h VAL 198 Cb 0.78 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2ksy h VAL 198 CO 0.09 0.09 -0.54 0.22 0.02 0.00 0.00 177.57 177.45 2ksy h TYR 199 N 0.50 0.02 -0.16 1.57 3.20 -0.25 -2.54 116.97 119.32 2ksy h TYR 199 Ca 0.41 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 62.15 2ksy h TYR 199 Cb 0.85 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.12 2ksy h TYR 199 CO -0.00 0.55 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.64 2ksy h LEU 200 N 0.01 0.59 -0.82 2.82 3.38 0.45 -1.92 115.31 119.83 2ksy h LEU 200 Ca -0.00 -0.57 -0.11 0.00 0.09 0.00 0.00 57.88 57.29 2ksy h LEU 200 Cb 0.95 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2ksy h LEU 200 CO 0.07 1.05 -0.31 0.44 0.09 0.00 0.00 178.44 179.78 2ksy h ASP 201 N 0.16 0.54 0.32 -0.43 3.32 -1.32 -2.34 116.42 116.66 2ksy h ASP 201 Ca -0.00 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 56.71 2ksy h ASP 201 Cb 0.96 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 2ksy h ASP 201 CO 0.08 0.82 -0.53 -0.07 -1.72 0.00 0.00 179.24 177.82 2ksy h LEU 202 N 0.45 0.26 0.03 1.55 3.38 -1.44 -3.21 115.31 116.33 2ksy h LEU 202 Ca 0.06 -0.13 -0.27 0.00 0.09 0.00 0.00 57.88 57.62 2ksy h LEU 202 Cb 0.77 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.46 2ksy h LEU 202 CO 0.06 0.75 -1.16 1.62 0.09 0.00 0.00 178.44 179.80 2ksy h VAL 203 N 0.18 1.41 0.00 1.22 3.04 -1.20 -1.87 116.25 119.04 2ksy h VAL 203 Ca 0.00 -2.71 0.00 0.00 -1.01 0.00 0.00 66.70 62.99 2ksy h VAL 203 Cb 1.00 2.73 0.00 0.00 -2.01 0.00 0.00 31.29 33.01 2ksy h VAL 203 CO 0.08 0.80 0.00 0.41 -1.01 0.00 0.00 177.57 177.86 2ksy n THR 204 N -3.67 0.07 0.00 3.17 -1.04 -0.90 -0.44 114.28 111.48 2ksy n THR 204 Ca -0.10 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 2ksy n THR 204 Cb 0.96 -0.90 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 0.43 12.58 0.31 -0.71 -2.51 118.33 127.41 2ksy n VAL 206 Ca 0.05 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.21 2ksy n VAL 206 Cb 0.03 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.88 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 -1.16 2.00 2.92 0.00 -0.67 -0.66 103.07 105.49 2ksy h GLY 207 Ca 0.00 0.43 -0.05 0.00 0.00 0.00 0.00 47.33 47.71 2ksy h GLY 207 CO 0.00 -0.42 -0.23 0.27 0.00 0.00 0.00 176.54 176.16 2ksy h PHE 208 N -1.28 0.00 -0.12 5.60 -0.00 -1.46 -2.14 116.94 117.54 2ksy h PHE 208 Ca -0.11 0.00 -0.12 0.00 -0.00 0.00 0.00 57.97 57.74 2ksy h PHE 208 Cb 0.85 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.79 2ksy h PHE 208 CO 0.00 0.23 -0.45 0.78 -0.00 0.00 0.00 178.31 178.87 2ksy h GLY 209 N 1.07 0.32 0.51 6.09 0.00 -1.74 0.93 103.07 110.25 2ksy h GLY 209 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2ksy h GLY 209 CO 0.03 0.30 -0.04 0.74 0.00 0.00 0.00 176.54 177.57 2ksy h PHE 210 N 0.24 0.08 0.00 5.60 0.04 -0.49 0.16 116.94 122.57 2ksy h PHE 210 Ca 0.02 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 2ksy h PHE 210 Cb 0.90 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 39.03 2ksy h PHE 210 CO 0.02 0.59 -0.11 0.82 -0.60 0.00 0.00 178.31 179.03 2ksy h ILE 211 N -0.45 0.91 -0.68 -0.55 2.04 -1.35 -0.92 117.51 116.50 2ksy h ILE 211 Ca 0.00 -0.39 -0.08 0.00 1.00 0.00 0.00 64.86 65.39 2ksy h ILE 211 Cb 0.58 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 2ksy h ILE 211 CO 0.01 0.11 0.12 0.00 0.00 0.00 0.00 178.15 178.39 2ksy h ALA 212 N 1.89 0.92 0.16 1.87 0.00 0.14 -1.98 119.26 122.25 2ksy h ALA 212 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2ksy h ALA 212 Cb 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2ksy h ALA 212 CO 0.01 0.67 -0.08 -0.07 0.00 0.00 0.00 179.25 179.79 2ksy h LEU 213 N 1.05 -0.18 -0.30 0.00 3.38 0.33 -2.14 115.31 117.46 2ksy h LEU 213 Ca 0.21 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.89 2ksy h LEU 213 Cb 0.43 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 2ksy h LEU 213 CO 0.01 0.31 -0.08 0.44 0.09 0.00 0.00 178.44 179.21 2ksy h ASP 214 N -0.72 -0.28 0.62 -0.43 3.32 -1.31 0.23 116.42 117.84 2ksy h ASP 214 Ca -0.02 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 2ksy h ASP 214 Cb 0.51 0.19 0.01 0.00 0.22 0.00 0.00 39.33 40.26 2ksy h ASP 214 CO 0.04 -0.10 -0.30 0.00 -1.72 0.00 0.00 179.24 177.16 2ksy h ALA 215 N 1.29 -0.83 -0.78 3.45 0.00 -1.45 -2.17 119.26 118.77 2ksy h ALA 215 Ca 0.14 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2ksy h ALA 215 Cb 0.22 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2ksy h ALA 215 CO -0.31 -0.94 0.51 0.00 0.00 0.00 0.00 179.25 178.51 2ksy h ALA 216 N -0.53 1.78 -0.78 0.00 0.00 -1.20 -0.83 119.26 117.70 2ksy h ALA 216 Ca -0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2ksy h ALA 216 Cb 0.66 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2ksy h ALA 216 CO 0.14 0.07 0.37 0.00 0.00 0.00 0.00 179.25 179.83 2ksy h ALA 217 N 1.61 1.01 -0.50 0.00 0.00 -0.35 -2.42 119.26 118.61 2ksy h ALA 217 Ca 0.36 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2ksy h ALA 217 Cb 0.44 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2ksy h ALA 217 CO -0.13 0.58 -0.04 1.15 0.00 0.00 0.00 179.25 180.80 2ksy h THR 218 N 1.10 1.25 -0.61 0.00 2.02 -0.52 0.17 112.91 116.33 2ksy h THR 218 Ca 0.27 -1.11 0.04 0.00 0.77 0.00 0.00 66.41 66.38 2ksy h THR 218 Cb 0.13 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 2ksy h THR 218 CO -0.03 0.39 0.36 -0.07 0.37 0.00 0.00 175.52 176.53 2ksy h LEU 219 N 0.79 0.56 0.00 2.58 3.38 -0.89 -1.51 115.31 120.23 2ksy h LEU 219 Ca 0.14 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2ksy h LEU 219 Cb 0.53 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2ksy h LEU 219 CO 0.03 0.38 -0.35 0.03 0.09 0.00 0.00 178.44 178.62 2ksy h ARG 220 N 0.69 0.00 0.00 1.13 -0.00 -1.29 -3.29 114.38 111.62 2ksy h ARG 220 Ca 0.26 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.69 2ksy h ARG 220 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.05 2ksy h ARG 220 CO -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 179.97 179.63 2ksy h ALA 221 N 2.27 0.90 0.00 0.04 0.00 0.29 -3.08 119.26 119.68 2ksy h ALA 221 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2ksy h ALA 221 Cb 0.86 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2ksy h ALA 221 CO 0.00 0.26 0.00 -0.85 0.00 0.00 0.00 179.25 178.66 2ksy n GLU 222 N -3.20 0.17 0.08 0.00 0.28 -0.66 -2.52 120.64 114.79 2ksy n GLU 222 Ca 0.02 0.09 0.12 0.00 -0.16 0.00 0.00 57.16 57.23 2ksy n GLU 222 Cb 0.55 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 32.07 2ksy n GLU 222 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2ksy h HIS 223 N 0.00 0.00 -0.82 -1.84 3.86 -1.74 -3.41 115.15 111.20 2ksy h HIS 223 Ca 0.00 0.00 -0.72 0.00 -1.16 0.00 0.00 60.37 58.49 2ksy h HIS 223 Cb 0.30 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.67 2ksy h HIS 223 CO 0.00 0.00 2.42 0.41 0.86 0.00 0.00 177.93 181.62 2ksy n GLY 224 N 1.29 3.93 3.13 2.45 0.00 -1.05 -4.04 105.19 110.90 2ksy n GLY 224 Ca 0.03 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 2ksy n GLY 224 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ksy s GLU 225 N 2.56 0.27 1.19 1.61 2.56 -1.26 -4.87 118.70 120.76 2ksy s GLU 225 Ca 0.46 0.62 0.00 0.00 0.00 0.00 0.00 54.97 56.05 2ksy s GLU 225 Cb 0.08 -0.09 0.00 0.00 2.00 0.00 0.00 34.13 36.12 2ksy s GLU 225 CO -0.02 -0.16 0.00 0.45 -0.56 0.00 0.00 175.26 174.97 2ksy n SER 226 N 4.24 0.00 0.06 -1.70 2.88 -1.26 -2.31 113.62 115.53 2ksy n SER 226 Ca -0.25 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.22 2ksy n SER 226 Cb 0.54 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.08 2ksy n SER 226 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2ksy h LEU 227 N 0.00 0.40 0.00 2.46 -0.00 -1.96 -3.49 115.31 112.73 2ksy h LEU 227 Ca 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 57.88 57.65 2ksy h LEU 227 Cb 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.54 2ksy h LEU 227 CO 0.00 0.92 0.00 0.00 -0.00 0.00 0.00 178.44 179.36 2ksy n ALA 228 N -2.49 0.00 -2.53 1.53 0.00 -0.98 -4.43 120.51 111.62 2ksy n ALA 228 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.22 2ksy n ALA 228 Cb 0.63 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.09 2ksy n ALA 228 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ksy n GLY 229 N 0.00 4.22 3.74 0.00 0.00 -1.26 -4.89 105.19 107.00 2ksy n GLY 229 Ca 0.00 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.48 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 -4.51 4.83 -0.39 1.61 1.01 -1.26 -4.99 120.40 116.69 2ksy s VAL 230 Ca 0.40 1.52 -0.28 0.00 0.00 0.00 0.00 61.98 63.62 2ksy s VAL 230 Cb 0.42 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2ksy s VAL 230 CO -0.08 0.35 1.86 -0.62 0.00 0.00 0.00 175.10 176.61 2ksy s ASP 231 N 0.08 5.68 -0.09 3.32 2.15 -1.26 -4.93 116.67 121.63 2ksy s ASP 231 Ca 0.37 1.13 -0.26 0.00 0.43 0.00 0.00 52.55 54.22 2ksy s ASP 231 Cb -0.20 -2.52 0.06 0.00 -0.30 0.00 0.00 42.92 39.96 2ksy s ASP 231 CO 0.21 -1.91 0.60 0.28 -0.17 0.00 0.00 175.17 174.19 2ksy s THR 232 N 7.63 0.01 -0.28 1.71 -1.32 -1.26 -5.05 115.64 117.08 2ksy s THR 232 Ca 0.79 -0.08 -0.01 0.00 -1.21 0.00 0.00 61.69 61.18 2ksy s THR 232 Cb -0.21 -0.90 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 2ksy s THR 232 CO 0.31 -0.05 0.01 -0.67 -2.21 0.00 0.00 174.62 172.02 2ksy n ASP 233 N 1.40 -7.55 -4.76 8.08 2.03 -1.26 -4.94 116.55 109.55 2ksy n ASP 233 Ca -0.18 1.36 -0.40 0.00 0.52 0.00 0.00 54.79 56.09 2ksy n ASP 233 Cb 0.56 -5.03 -0.04 0.00 -0.72 0.00 0.00 41.12 35.90 2ksy n ASP 233 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2ksy s THR 234 N -1.53 3.40 0.18 5.18 -1.32 -1.26 -4.96 115.64 115.32 2ksy s THR 234 Ca -0.01 1.35 -0.05 0.00 -1.21 0.00 0.00 61.69 61.77 2ksy s THR 234 Cb 0.00 -3.83 -0.06 0.00 -1.51 0.00 0.00 72.50 67.09 2ksy s THR 234 CO 0.72 0.27 1.48 1.55 -2.21 0.00 0.00 174.62 176.44 2ksy h PRO 235 N 3.51 0.61 -7.43 7.08 0.13 -2.07 -3.45 132.00 130.38 2ksy h PRO 235 Ca -0.47 -0.39 -0.49 0.00 -0.87 0.00 0.00 66.00 63.78 2ksy h PRO 235 Cb 1.22 0.05 0.10 0.00 0.13 0.00 0.00 31.00 32.49 2ksy h PRO 235 CO 0.66 1.00 0.36 0.00 -0.23 0.00 0.00 178.00 179.80 2ksy s ALA 236 N -4.00 2.47 0.74 -0.56 0.00 -1.26 -5.08 121.76 114.08 2ksy s ALA 236 Ca -0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 2ksy s ALA 236 Cb 0.11 -3.08 0.14 0.00 0.00 0.00 0.00 23.12 20.29 2ksy s ALA 236 CO 0.85 -1.53 0.93 1.33 0.00 0.00 0.00 175.76 177.35 2ksy n VAL 237 N -3.29 0.00 -2.97 0.00 0.24 -1.26 -5.05 118.33 106.00 2ksy n VAL 237 Ca 0.07 -1.34 -0.42 0.00 -2.04 0.00 0.00 64.34 60.62 2ksy n VAL 237 Cb 0.56 -1.03 -0.05 0.00 -1.47 0.00 0.00 33.84 31.86 2ksy n VAL 237 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ksy s ALA 238 N -3.25 3.57 0.36 2.33 0.00 -1.26 -4.91 121.76 118.60 2ksy s ALA 238 Ca 0.60 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2ksy s ALA 238 Cb -0.03 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2ksy s ALA 238 CO 0.40 -1.06 0.00 -0.25 0.00 0.00 0.00 175.76 174.85 2ksy n ASP 239 N 6.05 -8.31 -3.80 0.00 8.00 -1.26 -4.84 116.55 112.39 2ksy n ASP 239 Ca 0.03 0.66 -0.28 0.00 0.71 0.00 0.00 54.79 55.91 2ksy n ASP 239 Cb 0.48 -4.29 -0.16 0.00 -0.02 0.00 0.00 41.12 37.13 2ksy n ASP 239 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2ksy s LEU 240 N -7.02 1.58 -0.28 0.64 1.43 -1.26 -5.10 118.68 108.66 2ksy s LEU 240 Ca 0.00 -0.90 -0.01 0.00 -1.03 0.00 0.00 54.13 52.19 2ksy s LEU 240 Cb 0.00 -0.77 0.04 0.00 0.03 0.00 0.00 46.19 45.49 2ksy s LEU 240 CO 0.00 -0.28 -0.03 -0.70 0.23 0.00 0.00 176.35 175.57 2ksy s GLU 241 N 1.72 2.51 -0.00 1.70 2.12 -1.26 -5.10 118.70 120.38 2ksy s GLU 241 Ca -0.02 -1.20 -0.16 0.00 0.36 0.00 0.00 54.97 53.95 2ksy s GLU 241 Cb -0.17 -3.09 -0.06 0.00 0.26 0.00 0.00 34.13 31.07 2ksy s GLU 241 CO -0.07 -0.56 0.43 -1.01 -0.54 0.00 0.00 175.26 173.51 2ksy s HIS 242 N 1.25 3.71 0.00 5.30 3.76 -1.26 -4.88 115.29 123.18 2ksy s HIS 242 Ca -0.04 1.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.88 2ksy s HIS 242 Cb -0.19 -2.34 0.00 0.00 1.11 0.00 0.00 32.58 31.16 2ksy s HIS 242 CO -0.02 0.58 0.00 1.58 -0.85 0.00 0.00 174.74 176.03 2ksy n HIS 243 N 2.02 -0.07 -0.89 1.40 -0.00 -1.26 -5.13 115.22 111.29 2ksy n HIS 243 Ca -0.13 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.28 2ksy n HIS 243 Cb 0.52 0.02 0.14 0.00 -0.00 0.00 0.00 29.99 30.67 2ksy n HIS 243 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2ksy s HIS 244 N -1.03 1.82 0.02 1.57 3.76 -1.26 -4.79 115.29 115.38 2ksy s HIS 244 Ca 0.00 1.73 0.00 0.00 -0.15 0.00 0.00 55.06 56.64 2ksy s HIS 244 Cb 0.00 -3.33 0.00 0.00 1.11 0.00 0.00 32.58 30.36 2ksy s HIS 244 CO 0.00 -2.64 0.00 0.72 -0.85 0.00 0.00 174.74 171.97 2ksy n HIS 245 N -3.90 -2.00 0.00 1.40 8.25 -1.26 -4.91 115.22 112.81 2ksy n HIS 245 Ca 0.12 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 2ksy n HIS 245 Cb 0.52 0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.69 2ksy n HIS 245 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2ksy n HIS 246 N -1.93 0.00 1.49 4.41 1.44 -1.26 -5.23 115.22 114.14 2ksy n HIS 246 Ca 0.00 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.83 2ksy n HIS 246 Cb 0.04 0.00 0.71 0.00 0.12 0.00 0.00 29.99 30.86 2ksy n HIS 246 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11