#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 1.66 1.02 2.03 0.31 -1.26 -4.15 118.33 117.93 2ksy n VAL 2 Ca 0.00 -0.73 0.12 0.00 -0.01 0.00 0.00 64.34 63.72 2ksy n VAL 2 Cb 0.00 -1.31 0.30 0.00 -0.91 0.00 0.00 33.84 31.92 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 1.80 -1.25 0.17 2.92 0.00 -1.26 -3.90 105.19 103.68 2ksy n GLY 3 Ca -0.26 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 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 0.06 0.52 -1.90 0.99 5.85 -2.02 -3.15 115.31 115.66 2ksy h LEU 4 Ca 0.00 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.42 2ksy h LEU 4 Cb 0.50 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2ksy h LEU 4 CO 0.00 1.11 0.18 0.71 -0.34 0.00 0.00 178.44 180.10 2ksy h THR 5 N 0.28 0.93 -0.82 1.05 1.35 -1.74 -1.70 112.91 112.27 2ksy h THR 5 Ca -0.04 -0.04 0.14 0.00 -0.55 0.00 0.00 66.41 65.92 2ksy h THR 5 Cb 1.36 0.80 -0.06 0.00 -1.73 0.00 0.00 68.15 68.53 2ksy h THR 5 CO 0.13 0.02 0.54 0.71 -0.25 0.00 0.00 175.52 176.68 2ksy h THR 6 N 0.12 0.82 0.23 6.82 1.35 -1.76 -1.36 112.91 119.13 2ksy h THR 6 Ca 0.12 -0.19 -0.01 0.00 -0.55 0.00 0.00 66.41 65.77 2ksy h THR 6 Cb 0.31 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 66.95 2ksy h THR 6 CO -0.01 0.10 -0.11 -0.07 -0.25 0.00 0.00 175.52 175.18 2ksy h LEU 7 N 0.56 -0.26 -1.64 3.87 -0.00 -1.49 -0.85 115.31 115.51 2ksy h LEU 7 Ca 0.41 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.26 2ksy h LEU 7 Cb 0.77 0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.49 2ksy h LEU 7 CO -0.16 -0.17 -0.09 -0.26 -0.00 0.00 0.00 178.44 177.75 2ksy h PHE 8 N -0.31 0.11 -0.17 1.13 0.04 -1.46 -2.16 116.94 114.12 2ksy h PHE 8 Ca -0.03 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 2ksy h PHE 8 Cb 0.24 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 2ksy h PHE 8 CO -0.06 0.21 -0.04 -1.49 -0.60 0.00 0.00 178.31 176.33 2ksy h TRP 9 N 0.11 0.37 -0.86 -0.55 -0.00 -0.83 -2.17 115.95 112.02 2ksy h TRP 9 Ca 0.02 -0.08 0.02 0.00 -0.00 0.00 0.00 58.89 58.85 2ksy h TRP 9 Cb 0.24 -0.09 -0.04 0.00 -0.00 0.00 0.00 29.16 29.27 2ksy h TRP 9 CO 0.00 0.60 0.57 -0.07 -0.00 0.00 0.00 178.44 179.54 2ksy h LEU 10 N 0.03 0.97 -1.15 -4.49 3.38 -0.79 -1.49 115.31 111.75 2ksy h LEU 10 Ca 0.04 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2ksy h LEU 10 Cb 0.48 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2ksy h LEU 10 CO 0.02 0.69 -0.09 1.23 0.09 0.00 0.00 178.44 180.38 2ksy h GLY 11 N 1.14 0.52 1.78 0.83 0.00 -1.23 -2.36 103.07 103.74 2ksy h GLY 11 Ca 0.32 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 47.22 2ksy h GLY 11 CO -0.08 0.32 -0.34 0.00 0.00 0.00 0.00 176.54 176.44 2ksy h ALA 12 N 1.46 1.19 0.26 3.60 0.00 -0.62 -1.17 119.26 123.97 2ksy h ALA 12 Ca 0.09 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2ksy h ALA 12 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2ksy h ALA 12 CO 0.02 0.54 -0.12 0.82 0.00 0.00 0.00 179.25 180.51 2ksy h ILE 13 N 0.22 0.80 -0.73 0.00 2.04 -0.91 0.05 117.51 118.97 2ksy h ILE 13 Ca 0.03 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 2ksy h ILE 13 Cb 0.72 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 2ksy h ILE 13 CO 0.05 0.10 0.21 1.23 0.00 0.00 0.00 178.15 179.75 2ksy h GLY 14 N -0.61 1.23 0.88 5.37 0.00 -1.45 -2.61 103.07 105.89 2ksy h GLY 14 Ca -0.04 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.54 2ksy h GLY 14 CO 0.06 0.70 0.07 -0.33 0.00 0.00 0.00 176.54 177.03 2ksy h MET 15 N 1.09 0.25 0.14 4.80 2.86 -1.20 -2.21 114.93 120.66 2ksy h MET 15 Ca 0.23 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.85 2ksy h MET 15 Cb 0.33 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 2ksy h MET 15 CO -0.00 0.32 -0.33 1.25 1.06 0.00 0.00 176.91 179.21 2ksy h LEU 16 N 0.11 -0.94 -1.67 1.22 5.85 -0.87 0.91 115.31 119.93 2ksy h LEU 16 Ca 0.06 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.96 2ksy h LEU 16 Cb 0.17 0.35 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2ksy h LEU 16 CO -0.00 -0.42 0.36 0.58 -0.34 0.00 0.00 178.44 178.62 2ksy h VAL 17 N -0.56 0.92 -0.01 1.05 2.07 -1.46 -1.42 116.25 116.85 2ksy h VAL 17 Ca 0.03 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2ksy h VAL 17 Cb 0.59 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2ksy h VAL 17 CO -0.18 0.07 -0.00 1.23 0.02 0.00 0.00 177.57 178.71 2ksy h GLY 18 N 0.39 0.01 0.34 2.17 0.00 -0.63 -0.89 103.07 104.47 2ksy h GLY 18 Ca 0.24 -0.01 0.12 0.00 0.00 0.00 0.00 47.33 47.68 2ksy h GLY 18 CO -0.06 0.01 0.38 -0.84 0.00 0.00 0.00 176.54 176.03 2ksy h THR 19 N -0.35 0.78 -0.31 4.70 2.02 0.15 -1.83 112.91 118.08 2ksy h THR 19 Ca 0.00 -0.21 -0.13 0.00 0.77 0.00 0.00 66.41 66.85 2ksy h THR 19 Cb 0.37 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2ksy h THR 19 CO 0.00 0.11 -0.31 -0.07 0.37 0.00 0.00 175.52 175.62 2ksy h LEU 20 N 0.60 0.81 -1.79 2.58 -0.00 -1.27 -0.62 115.31 115.63 2ksy h LEU 20 Ca 0.40 -0.47 0.02 0.00 -0.00 0.00 0.00 57.88 57.83 2ksy h LEU 20 Cb 0.50 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 2ksy h LEU 20 CO -0.32 1.12 0.18 0.00 -0.00 0.00 0.00 178.44 179.42 2ksy h ALA 21 N 0.72 1.90 0.00 1.53 0.00 -0.36 -0.45 119.26 122.59 2ksy h ALA 21 Ca 0.05 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.69 2ksy h ALA 21 Cb 0.89 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2ksy h ALA 21 CO 0.08 0.07 -1.67 1.19 0.00 0.00 0.00 179.25 178.92 2ksy n PHE 22 N -4.50 0.92 0.00 0.00 3.72 -0.82 -3.42 117.46 113.37 2ksy n PHE 22 Ca 0.02 0.32 -0.13 0.00 -0.05 0.00 0.00 57.45 57.61 2ksy n PHE 22 Cb 0.13 -1.14 -0.10 0.00 -0.94 0.00 0.00 39.48 37.43 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 1.13 -0.05 -0.56 4.37 0.00 -0.56 0.12 119.26 123.72 2ksy h ALA 23 Ca -0.26 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 2ksy h ALA 23 Cb 1.89 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 2ksy h ALA 23 CO 0.07 -0.27 -0.02 2.35 0.00 0.00 0.00 179.25 181.38 2ksy h TRP 24 N -0.56 1.06 0.00 0.00 2.91 -1.29 -2.02 115.95 116.05 2ksy h TRP 24 Ca -0.00 -0.18 -0.08 0.00 1.13 0.00 0.00 58.89 59.76 2ksy h TRP 24 Cb 0.52 -0.28 -0.01 0.00 -0.51 0.00 0.00 29.16 28.88 2ksy h TRP 24 CO 0.10 0.95 -0.37 0.00 -1.03 0.00 0.00 178.44 178.10 2ksy h ALA 25 N 1.08 0.79 -0.10 2.65 0.00 -1.62 -3.31 119.26 118.75 2ksy h ALA 25 Ca 0.16 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 2ksy h ALA 25 Cb 0.55 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.29 2ksy h ALA 25 CO 0.03 0.46 -0.54 0.78 0.00 0.00 0.00 179.25 179.98 2ksy h GLY 26 N 3.37 0.60 2.00 0.00 0.00 -0.43 -3.12 103.07 105.49 2ksy h GLY 26 Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.47 2ksy h GLY 26 CO 0.05 0.76 0.00 0.07 0.00 0.00 0.00 176.54 177.42 2ksy h ARG 27 N 0.15 0.00 -4.22 4.80 0.11 -1.46 -3.35 114.38 110.41 2ksy h ARG 27 Ca -0.04 0.00 -0.65 0.00 0.10 0.00 0.00 59.98 59.40 2ksy h ARG 27 Cb 1.18 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 31.86 2ksy h ARG 27 CO 0.11 0.00 -0.71 0.34 0.10 0.00 0.00 179.97 179.81 2ksy s ASP 28 N -4.82 4.55 0.00 0.08 -1.08 -1.18 -4.90 116.67 109.32 2ksy s ASP 28 Ca -0.03 -2.30 0.00 0.00 -0.52 0.00 0.00 52.55 49.70 2ksy s ASP 28 Cb 0.10 -1.52 0.00 0.00 -1.46 0.00 0.00 42.92 40.04 2ksy s ASP 28 CO 0.36 -0.35 0.00 0.00 0.52 0.00 0.00 175.17 175.70 2ksy n ALA 29 N 4.05 0.00 -2.00 3.66 0.00 -1.26 -4.86 120.51 120.10 2ksy n ALA 29 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2ksy n ALA 29 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2ksy n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ksy n GLY 30 N -0.56 2.63 0.96 0.00 0.00 -1.26 -5.10 105.19 101.86 2ksy n GLY 30 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2ksy n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ksy n SER 31 N 0.00 0.00 0.06 1.61 3.41 -1.26 -4.91 113.62 112.53 2ksy n SER 31 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 2ksy n SER 31 Cb 0.00 0.07 -0.12 0.00 -0.26 0.00 0.00 64.21 63.90 2ksy n SER 31 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2ksy h GLY 32 N 0.00 0.00 2.00 5.00 0.00 -2.02 -3.24 103.07 104.81 2ksy h GLY 32 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2ksy h GLY 32 CO 0.00 0.00 -0.03 0.83 0.00 0.00 0.00 176.54 177.34 2ksy h GLU 33 N 0.00 0.00 -0.82 4.80 3.07 -1.99 -2.88 114.58 116.76 2ksy h GLU 33 Ca -0.03 0.00 0.24 0.00 -0.50 0.00 0.00 59.36 59.07 2ksy h GLU 33 Cb 1.78 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.65 2ksy h GLU 33 CO 0.12 0.03 0.61 0.00 -1.40 0.00 0.00 179.01 178.37 2ksy h ARG 34 N 0.00 0.00 -0.29 2.33 3.08 -1.88 -0.27 114.38 117.36 2ksy h ARG 34 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 2ksy h ARG 34 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2ksy h ARG 34 CO 0.00 0.00 -0.05 0.00 -1.07 0.00 0.00 179.97 178.85 2ksy h ARG 35 N 0.00 0.55 -0.05 0.04 2.47 -1.75 -0.91 114.38 114.73 2ksy h ARG 35 Ca 0.39 -0.20 -0.12 0.00 -1.26 0.00 0.00 59.98 58.79 2ksy h ARG 35 Cb 1.61 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.88 2ksy h ARG 35 CO -0.00 0.74 -0.52 1.88 0.56 0.00 0.00 179.97 182.62 2ksy h TYR 36 N 0.31 0.15 0.05 3.04 0.05 -1.29 -2.57 116.97 116.73 2ksy h TYR 36 Ca 0.08 -0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 2ksy h TYR 36 Cb 0.53 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.24 2ksy h TYR 36 CO 0.05 0.62 -0.03 1.88 -1.05 0.00 0.00 178.16 179.63 2ksy h TYR 37 N 0.10 -0.07 -0.73 4.88 0.05 -1.25 -1.72 116.97 118.23 2ksy h TYR 37 Ca 0.00 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.85 2ksy h TYR 37 Cb 0.95 0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.67 2ksy h TYR 37 CO 0.01 0.48 0.48 -0.24 -1.05 0.00 0.00 178.16 177.84 2ksy h VAL 38 N -0.68 1.00 -0.38 -2.88 3.04 -1.20 0.36 116.25 115.51 2ksy h VAL 38 Ca -0.01 -0.25 -0.06 0.00 -1.01 0.00 0.00 66.70 65.37 2ksy h VAL 38 Cb 0.58 0.20 -0.01 0.00 -2.01 0.00 0.00 31.29 30.05 2ksy h VAL 38 CO 0.01 0.13 -0.00 0.74 -1.01 0.00 0.00 177.57 177.44 2ksy h THR 39 N 0.73 1.26 0.05 3.17 2.02 -1.45 0.97 112.91 119.67 2ksy h THR 39 Ca 0.32 -1.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 2ksy h THR 39 Cb 0.30 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2ksy h THR 39 CO -0.11 0.33 -0.02 0.25 0.37 0.00 0.00 175.52 176.34 2ksy h LEU 40 N 0.49 -0.05 -1.40 2.58 6.46 -0.29 -2.56 115.31 120.54 2ksy h LEU 40 Ca 0.11 -0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 57.71 2ksy h LEU 40 Cb 0.47 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 2ksy h LEU 40 CO 0.02 0.09 0.03 0.58 -0.62 0.00 0.00 178.44 178.54 2ksy h VAL 41 N -0.19 1.16 -0.30 1.05 2.07 -0.96 -2.86 116.25 116.22 2ksy h VAL 41 Ca -0.01 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 66.94 2ksy h VAL 41 Cb 0.17 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2ksy h VAL 41 CO 0.01 0.21 0.13 1.23 0.02 0.00 0.00 177.57 179.16 2ksy h GLY 42 N 0.70 0.39 0.73 2.17 0.00 -0.41 0.12 103.07 106.76 2ksy h GLY 42 Ca 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 2ksy h GLY 42 CO 0.00 0.06 -0.05 0.16 0.00 0.00 0.00 176.54 176.71 2ksy h ILE 43 N 0.27 1.06 0.00 2.60 3.07 -1.26 -1.09 117.51 122.16 2ksy h ILE 43 Ca 0.13 -0.59 -0.00 0.00 1.55 0.00 0.00 64.86 65.95 2ksy h ILE 43 Cb 0.07 1.43 -0.00 0.00 -0.27 0.00 0.00 36.82 38.05 2ksy h ILE 43 CO -0.11 0.14 -0.01 0.28 -1.05 0.00 0.00 178.15 177.41 2ksy h SER 44 N -0.40 0.00 0.00 2.16 0.02 -1.44 -2.23 113.55 111.66 2ksy h SER 44 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2ksy h SER 44 Cb 0.34 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 2ksy h SER 44 CO 0.02 0.01 -0.04 1.23 -1.14 0.00 0.00 176.83 176.91 2ksy h GLY 45 N 0.71 0.00 1.10 -3.77 0.00 -0.41 -2.51 103.07 98.20 2ksy h GLY 45 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 2ksy h GLY 45 CO 0.00 0.00 0.48 0.16 0.00 0.00 0.00 176.54 177.18 2ksy h ILE 46 N -1.00 1.07 -0.34 2.60 3.07 -1.17 -1.67 117.51 120.07 2ksy h ILE 46 Ca -0.00 -0.28 -0.11 0.00 1.55 0.00 0.00 64.86 66.02 2ksy h ILE 46 Cb 0.17 0.17 -0.01 0.00 -0.27 0.00 0.00 36.82 36.88 2ksy h ILE 46 CO -0.00 0.15 -0.21 0.00 -1.05 0.00 0.00 178.15 177.04 2ksy h ALA 47 N 1.59 0.48 -0.97 0.16 0.00 -1.55 -2.21 119.26 116.76 2ksy h ALA 47 Ca 0.30 -0.37 0.12 0.00 0.00 0.00 0.00 54.91 54.97 2ksy h ALA 47 Cb 0.16 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 2ksy h ALA 47 CO -0.09 0.44 0.60 0.00 0.00 0.00 0.00 179.25 180.19 2ksy h ALA 48 N 0.77 1.46 0.01 0.00 0.00 -0.84 -0.78 119.26 119.88 2ksy h ALA 48 Ca 0.07 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 2ksy h ALA 48 Cb 0.76 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2ksy h ALA 48 CO 0.06 0.18 -0.92 -0.39 0.00 0.00 0.00 179.25 178.18 2ksy h VAL 49 N 0.94 1.46 -0.92 0.00 -1.51 -1.40 -2.50 116.25 112.32 2ksy h VAL 49 Ca 0.49 -2.58 -0.01 0.00 -1.23 0.00 0.00 66.70 63.37 2ksy h VAL 49 Cb 0.50 2.47 -0.04 0.00 -2.13 0.00 0.00 31.29 32.09 2ksy h VAL 49 CO -0.27 0.76 0.51 0.00 -1.23 0.00 0.00 177.57 177.34 2ksy h ALA 50 N 0.86 1.18 -0.10 5.19 0.00 -0.58 0.44 119.26 126.24 2ksy h ALA 50 Ca -0.06 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 2ksy h ALA 50 Cb 1.56 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2ksy h ALA 50 CO 0.15 0.67 -0.72 1.88 0.00 0.00 0.00 179.25 181.23 2ksy h TYR 51 N 1.28 0.65 -0.58 0.00 0.05 -1.20 -1.54 116.97 115.61 2ksy h TYR 51 Ca 0.32 -0.28 -0.11 0.00 0.05 0.00 0.00 58.73 58.72 2ksy h TYR 51 Cb 0.01 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 2ksy h TYR 51 CO 0.01 1.04 -0.05 0.00 -1.05 0.00 0.00 178.16 178.11 2ksy h ALA 52 N 0.88 0.80 -0.07 3.88 0.00 -0.97 -0.11 119.26 123.67 2ksy h ALA 52 Ca -0.03 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.36 2ksy h ALA 52 Cb 1.30 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.88 2ksy h ALA 52 CO 0.13 0.68 -0.67 -0.39 0.00 0.00 0.00 179.25 178.99 2ksy h VAL 53 N 0.96 1.35 -0.08 0.00 -1.51 -0.92 -3.11 116.25 112.94 2ksy h VAL 53 Ca 0.16 -1.98 -0.06 0.00 -1.23 0.00 0.00 66.70 63.59 2ksy h VAL 53 Cb 0.62 2.28 -0.01 0.00 -2.13 0.00 0.00 31.29 32.05 2ksy h VAL 53 CO 0.04 0.60 -0.22 0.24 -1.23 0.00 0.00 177.57 177.00 2ksy h MET 54 N 0.19 0.13 0.00 5.19 2.07 -1.25 -1.24 114.93 120.02 2ksy h MET 54 Ca -0.06 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.53 2ksy h MET 54 Cb 1.33 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 31.04 2ksy h MET 54 CO 0.14 0.35 0.00 0.00 1.07 0.00 0.00 176.91 178.47 2ksy h ALA 55 N 1.66 1.00 -0.62 6.32 0.00 -0.96 -1.88 119.26 124.77 2ksy h ALA 55 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ksy h ALA 55 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2ksy h ALA 55 CO 0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.56 2ksy n LEU 56 N -2.86 3.64 0.00 0.00 4.77 -0.56 -4.77 117.00 117.22 2ksy n LEU 56 Ca 0.00 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.22 2ksy n LEU 56 Cb 0.23 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2ksy n LEU 56 CO 0.23 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 2ksy n GLY 57 N 1.58 0.45 3.76 -0.72 0.00 -0.71 -5.03 105.19 104.53 2ksy n GLY 57 Ca 0.22 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 2ksy n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ksy s VAL 58 N -2.00 4.56 0.00 1.61 1.01 -0.67 -3.57 120.40 121.34 2ksy s VAL 58 Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.64 2ksy s VAL 58 Cb 0.00 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.26 2ksy s VAL 58 CO 0.00 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2ksy n GLY 59 N 2.00 1.94 3.55 4.51 0.00 -1.26 -4.15 105.19 111.78 2ksy n GLY 59 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2ksy n GLY 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ksy s TRP 60 N -2.91 1.40 -0.18 1.61 0.52 -1.23 -2.08 118.94 116.06 2ksy s TRP 60 Ca 0.00 1.16 -0.05 0.00 0.02 0.00 0.00 56.10 57.23 2ksy s TRP 60 Cb 0.00 -3.85 -0.03 0.00 -1.15 0.00 0.00 33.47 28.44 2ksy s TRP 60 CO 0.00 -2.35 0.00 0.54 0.02 0.00 0.00 176.95 175.16 2ksy s VAL 61 N 10.68 4.18 0.32 4.03 0.11 -0.40 -4.99 120.40 134.32 2ksy s VAL 61 Ca 0.81 -0.25 -0.28 0.00 -2.93 0.00 0.00 61.98 59.33 2ksy s VAL 61 Cb -0.14 -2.86 -0.09 0.00 -1.53 0.00 0.00 36.38 31.75 2ksy s VAL 61 CO 0.21 0.46 1.16 -2.16 -3.33 0.00 0.00 175.10 171.45 2ksy s PRO 62 N 0.56 4.43 -0.37 1.54 0.04 -1.26 -1.75 135.00 138.18 2ksy s PRO 62 Ca -0.00 1.90 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2ksy s PRO 62 Cb -0.14 -3.02 0.14 0.00 0.04 0.00 0.00 34.50 31.51 2ksy s PRO 62 CO 0.02 -0.01 0.21 0.08 0.04 0.00 0.00 177.00 177.34 2ksy s VAL 63 N -1.23 0.44 0.00 -0.36 1.01 0.96 -4.90 120.40 116.32 2ksy s VAL 63 Ca 0.49 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.63 2ksy s VAL 63 Cb -0.33 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.73 2ksy s VAL 63 CO 0.43 -0.95 0.00 0.00 0.00 0.00 0.00 175.10 174.58 2ksy n ALA 64 N 4.02 0.00 0.00 5.51 0.00 -1.26 -0.61 120.51 128.17 2ksy n ALA 64 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2ksy n ALA 64 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2ksy n ALA 64 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2ksy n GLU 65 N 0.00 1.38 -4.07 0.00 0.28 -1.26 -5.05 120.64 111.91 2ksy n GLU 65 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.75 2ksy n GLU 65 Cb 0.00 -0.95 -0.05 0.00 1.43 0.00 0.00 31.44 31.87 2ksy n GLU 65 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2ksy s ARG 66 N -1.84 3.00 -0.13 3.44 0.52 0.22 -5.12 118.95 119.04 2ksy s ARG 66 Ca 0.00 -0.89 -0.00 0.00 -0.52 0.00 0.00 55.73 54.32 2ksy s ARG 66 Cb 0.00 -2.67 -0.02 0.00 0.52 0.00 0.00 34.95 32.78 2ksy s ARG 66 CO 0.00 0.46 -0.12 0.99 0.02 0.00 0.00 175.30 176.65 2ksy s THR 67 N -1.88 3.13 0.05 0.02 2.01 -1.26 -0.03 115.64 117.68 2ksy s THR 67 Ca 0.32 -0.64 0.06 0.00 0.31 0.00 0.00 61.69 61.74 2ksy s THR 67 Cb -0.09 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 2ksy s THR 67 CO 0.25 0.53 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.89 2ksy s VAL 68 N 0.28 3.22 -0.30 3.82 1.01 -0.72 -4.96 120.40 122.75 2ksy s VAL 68 Ca -0.09 -1.09 -0.09 0.00 0.00 0.00 0.00 61.98 60.71 2ksy s VAL 68 Cb -0.15 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 2ksy s VAL 68 CO 0.05 0.28 0.14 -0.36 0.00 0.00 0.00 175.10 175.22 2ksy s PHE 69 N -1.04 3.17 0.27 5.22 0.08 -1.26 -1.28 117.98 123.14 2ksy s PHE 69 Ca 0.17 -0.50 0.01 0.00 0.12 0.00 0.00 56.93 56.73 2ksy s PHE 69 Cb -0.11 -2.34 0.37 0.00 -0.57 0.00 0.00 43.02 40.38 2ksy s PHE 69 CO 0.08 -0.42 1.72 -0.24 -0.10 0.00 0.00 175.22 176.27 2ksy h VAL 70 N 5.62 1.26 0.00 -0.44 3.04 -1.74 -2.97 116.25 121.02 2ksy h VAL 70 Ca -0.33 -1.19 -0.03 0.00 -1.01 0.00 0.00 66.70 64.14 2ksy h VAL 70 Cb 1.15 1.20 -0.00 0.00 -2.01 0.00 0.00 31.29 31.63 2ksy h VAL 70 CO 0.60 0.39 -0.13 -0.65 -1.01 0.00 0.00 177.57 176.78 2ksy h PRO 71 N 0.54 0.00 0.33 4.17 0.11 -1.85 -2.53 132.00 132.76 2ksy h PRO 71 Ca 0.09 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 2ksy h PRO 71 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 2ksy h PRO 71 CO 0.04 0.13 -0.16 -0.09 -0.21 0.00 0.00 178.00 177.71 2ksy h ARG 72 N 0.00 -0.42 -0.06 1.05 2.43 -1.86 -0.07 114.38 115.45 2ksy h ARG 72 Ca -0.00 0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.02 2ksy h ARG 72 Cb 0.64 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2ksy h ARG 72 CO 0.02 -0.10 -0.72 1.88 -1.51 0.00 0.00 179.97 179.54 2ksy h TYR 73 N -0.87 0.41 -0.46 2.20 -1.99 -1.63 -2.70 116.97 111.92 2ksy h TYR 73 Ca -0.05 -0.18 -0.11 0.00 2.00 0.00 0.00 58.73 60.40 2ksy h TYR 73 Cb 0.53 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 39.18 2ksy h TYR 73 CO 0.03 0.92 -0.13 0.97 -0.00 0.00 0.00 178.16 179.95 2ksy h ILE 74 N 0.20 1.27 -0.79 -2.88 -0.00 -1.53 -2.11 117.51 111.68 2ksy h ILE 74 Ca -0.03 -1.26 0.03 0.00 -0.00 0.00 0.00 64.86 63.61 2ksy h ILE 74 Cb 1.28 1.12 -0.04 0.00 -0.00 0.00 0.00 36.82 39.18 2ksy h ILE 74 CO 0.12 0.43 0.52 -0.78 -0.00 0.00 0.00 178.15 178.44 2ksy h ASP 75 N 0.74 0.84 0.20 2.19 3.58 -0.93 0.18 116.42 123.22 2ksy h ASP 75 Ca 0.11 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.49 2ksy h ASP 75 Cb 0.68 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 2ksy h ASP 75 CO 0.05 0.58 -0.27 -0.50 -2.88 0.00 0.00 179.24 176.22 2ksy h TRP 76 N 0.97 0.13 0.00 0.28 6.55 -1.12 0.26 115.95 123.02 2ksy h TRP 76 Ca 0.31 -0.02 -0.09 0.00 0.95 0.00 0.00 58.89 60.04 2ksy h TRP 76 Cb 0.04 -0.03 -0.01 0.00 -0.86 0.00 0.00 29.16 28.29 2ksy h TRP 76 CO -0.00 0.39 -0.45 0.82 -1.05 0.00 0.00 178.44 178.15 2ksy h ILE 77 N 0.11 1.28 0.00 1.49 2.04 -0.32 0.14 117.51 122.26 2ksy h ILE 77 Ca 0.02 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.31 2ksy h ILE 77 Cb 0.54 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 2ksy h ILE 77 CO 0.04 0.44 -0.91 0.18 0.00 0.00 0.00 178.15 177.90 2ksy n LEU 78 N -3.94 0.67 -0.11 1.44 4.77 -0.79 -4.29 117.00 114.74 2ksy n LEU 78 Ca -0.02 0.13 -0.22 0.00 -0.03 0.00 0.00 56.01 55.88 2ksy n LEU 78 Cb 0.48 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.38 2ksy n LEU 78 CO 0.40 -0.04 -1.18 0.35 -1.33 0.00 0.00 177.39 175.59 2ksy n THR 79 N -2.15 1.41 0.02 -5.08 -2.24 0.01 -4.38 114.28 101.88 2ksy n THR 79 Ca 0.02 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.46 2ksy n THR 79 Cb 0.46 -1.96 -0.05 0.00 -2.10 0.00 0.00 70.33 66.68 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 -0.91 0.21 -0.13 4.28 2.02 -0.95 0.07 112.91 117.50 2ksy h THR 80 Ca -0.48 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.74 2ksy h THR 80 Cb 1.39 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 2ksy h THR 80 CO -0.29 0.00 0.16 -0.65 0.37 0.00 0.00 175.52 175.11 2ksy h PRO 81 N -0.48 0.00 0.02 6.66 0.11 -1.75 0.56 132.00 137.13 2ksy h PRO 81 Ca 0.07 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.97 2ksy h PRO 81 Cb 0.60 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 2ksy h PRO 81 CO -0.34 0.00 -0.95 1.25 -0.21 0.00 0.00 178.00 177.74 2ksy h LEU 82 N 0.00 0.27 0.21 2.35 5.85 -1.25 -2.02 115.31 120.71 2ksy h LEU 82 Ca 0.06 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2ksy h LEU 82 Cb 0.38 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2ksy h LEU 82 CO -0.00 1.08 -0.10 0.40 -0.34 0.00 0.00 178.44 179.47 2ksy h ILE 83 N 0.10 0.87 0.00 4.05 1.08 0.62 -1.28 117.51 122.95 2ksy h ILE 83 Ca -0.06 -0.72 -0.01 0.00 -0.39 0.00 0.00 64.86 63.69 2ksy h ILE 83 Cb 1.61 1.27 -0.00 0.00 -3.07 0.00 0.00 36.82 36.63 2ksy h ILE 83 CO 0.15 0.15 -0.04 -0.37 -0.69 0.00 0.00 178.15 177.35 2ksy h VAL 84 N -0.66 1.02 -0.02 1.67 -1.51 -1.53 0.21 116.25 115.43 2ksy h VAL 84 Ca -0.03 -0.12 -0.06 0.00 -1.23 0.00 0.00 66.70 65.26 2ksy h VAL 84 Cb 0.47 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 2ksy h VAL 84 CO 0.05 0.04 -0.25 0.22 -1.23 0.00 0.00 177.57 176.39 2ksy h TYR 85 N 0.00 0.03 0.14 5.19 3.20 -1.09 -0.14 116.97 124.32 2ksy h TYR 85 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2ksy h TYR 85 Cb 0.06 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.33 2ksy h TYR 85 CO 0.00 0.29 -0.07 0.35 -1.64 0.00 0.00 178.16 177.09 2ksy h PHE 86 N 0.03 -0.18 0.00 -3.82 3.57 0.61 -1.67 116.94 115.48 2ksy h PHE 86 Ca 0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2ksy h PHE 86 Cb 0.47 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 2ksy h PHE 86 CO 0.00 0.11 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.98 2ksy h LEU 87 N -0.47 0.00 -1.28 0.59 4.07 -1.23 -0.73 115.31 116.26 2ksy h LEU 87 Ca -0.02 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.87 2ksy h LEU 87 Cb 0.37 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.10 2ksy h LEU 87 CO 0.03 0.14 -0.33 1.23 -1.08 0.00 0.00 178.44 178.43 2ksy h GLY 88 N 0.50 0.00 1.66 0.83 0.00 -0.69 -0.20 103.07 105.17 2ksy h GLY 88 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.11 2ksy h GLY 88 CO 0.02 0.00 -0.93 1.41 0.00 0.00 0.00 176.54 177.04 2ksy h LEU 89 N 0.00 0.40 -0.08 3.11 3.38 -0.19 0.14 115.31 122.06 2ksy h LEU 89 Ca -0.00 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 2ksy h LEU 89 Cb 0.67 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2ksy h LEU 89 CO 0.04 1.13 -0.36 -0.07 0.09 0.00 0.00 178.44 179.28 2ksy h LEU 90 N 0.17 0.00 0.07 1.67 3.38 -1.10 -3.33 115.31 116.16 2ksy h LEU 90 Ca -0.07 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.63 2ksy h LEU 90 Cb 1.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 2ksy h LEU 90 CO 0.15 0.36 -1.46 0.00 0.09 0.00 0.00 178.44 177.58 2ksy h ALA 91 N 1.64 0.27 -1.12 1.53 0.00 -1.02 -3.38 119.26 117.18 2ksy h ALA 91 Ca -0.00 -1.20 0.00 0.00 0.00 0.00 0.00 54.91 53.71 2ksy h ALA 91 Cb 1.25 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2ksy h ALA 91 CO 0.05 0.88 0.00 0.41 0.00 0.00 0.00 179.25 180.58 2ksy n GLY 92 N 1.68 0.82 3.74 0.00 0.00 0.03 -3.99 105.19 107.46 2ksy n GLY 92 Ca -0.29 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 2ksy n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ksy s LEU 93 N -1.12 1.59 0.00 0.99 1.02 -1.18 -5.09 118.68 114.89 2ksy s LEU 93 Ca 0.00 0.54 0.00 0.00 0.02 0.00 0.00 54.13 54.69 2ksy s LEU 93 Cb 0.00 -2.45 0.00 0.00 0.02 0.00 0.00 46.19 43.76 2ksy s LEU 93 CO 0.00 -3.44 0.00 0.47 0.02 0.00 0.00 176.35 173.40 2ksy n ASP 94 N -4.28 0.00 -0.01 2.29 9.92 -1.26 -4.88 116.55 118.33 2ksy n ASP 94 Ca 0.13 -0.70 -0.13 0.00 -0.53 0.00 0.00 54.79 53.56 2ksy n ASP 94 Cb 0.59 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.98 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 0.00 0.04 -0.10 -2.24 0.02 -2.00 -2.27 113.55 107.00 2ksy h SER 95 Ca 0.00 -0.38 -0.23 0.00 -0.84 0.00 0.00 61.79 60.34 2ksy h SER 95 Cb 0.00 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.54 2ksy h SER 95 CO 0.00 0.41 -0.85 -0.09 -1.14 0.00 0.00 176.83 175.16 2ksy h ARG 96 N -0.33 0.76 -0.44 3.45 9.65 -1.99 -3.05 114.38 122.42 2ksy h ARG 96 Ca 0.00 -0.67 0.06 0.00 -1.10 0.00 0.00 59.98 58.28 2ksy h ARG 96 Cb 0.39 0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 29.07 2ksy h ARG 96 CO 0.00 1.27 0.14 0.93 2.80 0.00 0.00 179.97 185.11 2ksy h GLU 97 N 0.50 0.29 -0.72 0.20 3.07 -1.94 -0.96 114.58 115.01 2ksy h GLU 97 Ca -0.07 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.74 2ksy h GLU 97 Cb 1.48 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 29.29 2ksy h GLU 97 CO 0.17 0.19 0.34 0.74 -1.40 0.00 0.00 179.01 179.05 2ksy h PHE 98 N 0.30 1.05 0.00 4.33 0.04 -1.46 -2.28 116.94 118.92 2ksy h PHE 98 Ca 0.21 -0.06 -0.04 0.00 2.80 0.00 0.00 57.97 60.89 2ksy h PHE 98 Cb 0.22 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 2ksy h PHE 98 CO -0.17 0.78 -0.17 0.78 -0.60 0.00 0.00 178.31 178.93 2ksy h GLY 99 N 1.01 0.00 0.43 -1.45 0.00 -1.26 -2.36 103.07 99.45 2ksy h GLY 99 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 2ksy h GLY 99 CO -0.03 0.00 -0.09 -2.22 0.00 0.00 0.00 176.54 174.20 2ksy h ILE 100 N 0.00 1.50 -0.55 2.60 2.04 -0.63 -1.68 117.51 120.79 2ksy h ILE 100 Ca -0.00 -1.62 -0.07 0.00 1.00 0.00 0.00 64.86 64.17 2ksy h ILE 100 Cb 0.41 2.53 -0.02 0.00 -0.74 0.00 0.00 36.82 39.00 2ksy h ILE 100 CO 0.02 0.43 0.06 -0.37 0.00 0.00 0.00 178.15 178.30 2ksy h VAL 101 N -0.53 1.24 -0.01 1.67 -1.51 -1.39 -1.79 116.25 113.93 2ksy h VAL 101 Ca -0.01 -0.97 -0.01 0.00 -1.23 0.00 0.00 66.70 64.49 2ksy h VAL 101 Cb 0.76 0.76 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 2ksy h VAL 101 CO 0.02 0.35 -0.03 0.40 -1.23 0.00 0.00 177.57 177.08 2ksy h ILE 102 N 0.84 1.45 -0.12 7.19 1.08 -1.50 -2.82 117.51 123.63 2ksy h ILE 102 Ca 0.17 -1.38 0.01 0.00 -0.39 0.00 0.00 64.86 63.27 2ksy h ILE 102 Cb 0.41 2.35 -0.01 0.00 -3.07 0.00 0.00 36.82 36.50 2ksy h ILE 102 CO 0.01 0.36 0.08 0.00 -0.69 0.00 0.00 178.15 177.92 2ksy h THR 103 N -0.51 1.01 0.32 -0.27 1.03 -1.28 -2.17 112.91 111.04 2ksy h THR 103 Ca 0.00 -0.04 -0.02 0.00 -0.01 0.00 0.00 66.41 66.34 2ksy h THR 103 Cb 0.61 0.87 0.00 0.00 -1.07 0.00 0.00 68.15 68.57 2ksy h THR 103 CO 0.01 0.02 -0.16 0.25 -0.01 0.00 0.00 175.52 175.63 2ksy h LEU 104 N 0.13 -0.37 -2.19 0.00 5.85 -1.29 -2.61 115.31 114.83 2ksy h LEU 104 Ca 0.05 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.68 2ksy h LEU 104 Cb 0.03 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2ksy h LEU 104 CO -0.01 -0.05 0.20 0.78 -0.34 0.00 0.00 178.44 179.02 2ksy h ASN 105 N -0.71 0.00 0.40 1.25 -0.26 -1.20 -1.88 115.58 113.19 2ksy h ASN 105 Ca -0.04 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.68 2ksy h ASN 105 Cb 0.49 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.75 2ksy h ASN 105 CO 0.07 0.00 -0.19 0.74 -1.06 0.00 0.00 177.43 176.99 2ksy h THR 106 N 0.00 0.43 -0.65 2.81 2.02 -1.13 -1.09 112.91 115.30 2ksy h THR 106 Ca 0.09 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 2ksy h THR 106 Cb 0.49 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2ksy h THR 106 CO -0.00 0.08 0.41 1.62 0.37 0.00 0.00 175.52 178.00 2ksy h VAL 107 N -0.96 1.18 0.02 3.16 3.04 -1.09 -1.04 116.25 120.56 2ksy h VAL 107 Ca -0.05 -0.37 -0.00 0.00 -1.01 0.00 0.00 66.70 65.26 2ksy h VAL 107 Cb 0.55 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.07 2ksy h VAL 107 CO 0.09 0.18 -0.01 0.58 -1.01 0.00 0.00 177.57 177.40 2ksy h VAL 108 N 0.89 1.22 -0.64 1.51 2.07 -1.39 -2.22 116.25 117.70 2ksy h VAL 108 Ca 0.24 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 67.03 2ksy h VAL 108 Cb -0.06 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2ksy h VAL 108 CO -0.05 0.19 0.43 -0.03 0.02 0.00 0.00 177.57 178.13 2ksy h MET 109 N -0.34 0.84 -0.29 1.57 4.05 -0.93 -1.06 114.93 118.77 2ksy h MET 109 Ca -0.00 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.30 2ksy h MET 109 Cb 0.33 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.92 2ksy h MET 109 CO 0.00 0.56 -0.10 1.25 0.23 0.00 0.00 176.91 178.85 2ksy h LEU 110 N 0.87 0.46 0.13 3.39 5.85 -1.08 -1.76 115.31 123.17 2ksy h LEU 110 Ca 0.24 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2ksy h LEU 110 Cb -0.09 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.81 2ksy h LEU 110 CO -0.05 0.60 -0.06 0.00 -0.34 0.00 0.00 178.44 178.59 2ksy h ALA 111 N 1.45 -0.18 -0.81 1.25 0.00 -0.56 -2.69 119.26 117.73 2ksy h ALA 111 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2ksy h ALA 111 Cb 0.45 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2ksy h ALA 111 CO 0.03 -0.60 0.39 0.78 0.00 0.00 0.00 179.25 179.85 2ksy h GLY 112 N -0.18 1.24 -0.04 0.00 0.00 -1.30 -0.07 103.07 102.71 2ksy h GLY 112 Ca -0.02 -0.60 0.01 0.00 0.00 0.00 0.00 47.33 46.72 2ksy h GLY 112 CO 0.03 0.57 -0.10 -2.75 0.00 0.00 0.00 176.54 174.29 2ksy h PHE 113 N 1.15 -0.30 0.00 5.60 3.04 -1.01 -0.24 116.94 125.18 2ksy h PHE 113 Ca 0.28 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.23 2ksy h PHE 113 Cb 0.11 0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.75 2ksy h PHE 113 CO 0.01 -0.09 -0.04 0.00 -2.02 0.00 0.00 178.31 176.17 2ksy h ALA 114 N -1.16 1.10 -0.66 2.41 0.00 -1.48 -2.98 119.26 116.48 2ksy h ALA 114 Ca 0.01 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2ksy h ALA 114 Cb 0.12 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 2ksy h ALA 114 CO -0.09 0.05 0.27 0.78 0.00 0.00 0.00 179.25 180.26 2ksy h GLY 115 N 0.98 0.96 2.00 0.00 0.00 0.84 -0.39 103.07 107.46 2ksy h GLY 115 Ca -0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 2ksy h GLY 115 CO 0.01 -0.02 -0.32 0.00 0.00 0.00 0.00 176.54 176.21 2ksy h ALA 116 N 1.45 0.83 -0.48 3.60 0.00 -1.31 -3.18 119.26 120.18 2ksy h ALA 116 Ca 0.34 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2ksy h ALA 116 Cb 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2ksy h ALA 116 CO -0.32 0.40 0.00 -1.33 0.00 0.00 0.00 179.25 178.00 2ksy n MET 117 N -3.23 4.01 -2.18 0.00 2.00 -0.33 -4.84 117.12 112.54 2ksy n MET 117 Ca 0.02 -2.51 -0.39 0.00 0.00 0.00 0.00 57.70 54.82 2ksy n MET 117 Cb 0.61 -2.07 -0.02 0.00 0.00 0.00 0.00 33.22 31.75 2ksy n MET 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2ksy s VAL 118 N -2.32 2.90 -2.16 2.03 -7.23 -0.31 -4.93 120.40 108.39 2ksy s VAL 118 Ca 0.44 0.81 0.17 0.00 -1.81 0.00 0.00 61.98 61.58 2ksy s VAL 118 Cb 0.33 -3.47 0.40 0.00 0.56 0.00 0.00 36.38 34.19 2ksy s VAL 118 CO 0.14 0.12 1.46 -0.81 -0.31 0.00 0.00 175.10 175.70 2ksy n PRO 119 N 0.28 1.63 0.00 4.82 -0.04 -1.26 -4.92 135.00 135.51 2ksy n PRO 119 Ca 0.03 -0.96 0.00 0.00 -0.04 0.00 0.00 63.50 62.53 2ksy n PRO 119 Cb 0.44 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 1.04 0.94 0.67 0.55 0.00 -1.26 -5.00 105.19 102.12 2ksy n GLY 120 Ca 0.14 0.41 0.06 0.00 0.00 0.00 0.00 46.02 46.63 2ksy n GLY 120 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ksy n ILE 121 N 0.00 1.34 0.30 -0.61 -5.35 -1.26 -4.59 119.36 109.20 2ksy n ILE 121 Ca 0.00 -1.24 0.19 0.00 -0.27 0.00 0.00 62.75 61.43 2ksy n ILE 121 Cb 0.00 0.30 1.03 0.00 -1.74 0.00 0.00 39.64 39.23 2ksy n ILE 121 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2ksy h GLU 122 N 1.84 0.00 -0.67 6.28 4.39 -1.94 -2.08 114.58 122.40 2ksy h GLU 122 Ca 0.00 0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.89 2ksy h GLU 122 Cb 0.91 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.53 2ksy h GLU 122 CO 0.06 0.00 0.48 0.07 -1.16 0.00 0.00 179.01 178.46 2ksy h ARG 123 N 0.00 0.00 0.01 2.33 0.11 -1.81 0.17 114.38 115.19 2ksy h ARG 123 Ca 0.00 -0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.88 2ksy h ARG 123 Cb 0.11 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 2ksy h ARG 123 CO 0.00 0.00 -0.90 1.88 0.10 0.00 0.00 179.97 181.06 2ksy h TYR 124 N 0.00 0.26 0.24 4.08 0.05 -1.74 -2.59 116.97 117.27 2ksy h TYR 124 Ca 0.32 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 2ksy h TYR 124 Cb 1.28 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.99 2ksy h TYR 124 CO -0.00 0.97 -0.11 0.00 -1.05 0.00 0.00 178.16 177.97 2ksy h ALA 125 N 0.98 -0.32 0.14 3.88 0.00 -0.88 0.80 119.26 123.86 2ksy h ALA 125 Ca -0.04 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2ksy h ALA 125 Cb 1.54 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 2ksy h ALA 125 CO 0.13 -0.37 -0.24 -0.07 0.00 0.00 0.00 179.25 178.71 2ksy h LEU 126 N -0.94 -0.66 -1.03 0.00 3.38 -1.36 -2.15 115.31 112.54 2ksy h LEU 126 Ca -0.03 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 2ksy h LEU 126 Cb 0.49 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2ksy h LEU 126 CO 0.05 -0.33 -0.01 0.15 0.09 0.00 0.00 178.44 178.39 2ksy h PHE 127 N -0.45 0.71 -0.85 1.13 3.57 -1.59 -2.41 116.94 117.06 2ksy h PHE 127 Ca 0.02 -0.09 0.21 0.00 3.53 0.00 0.00 57.97 61.64 2ksy h PHE 127 Cb 0.46 -0.20 -0.13 0.00 2.79 0.00 0.00 35.95 38.88 2ksy h PHE 127 CO -0.21 0.68 0.28 0.78 -2.23 0.00 0.00 178.31 177.61 2ksy h GLY 128 N 0.93 1.33 1.39 2.40 0.00 -0.18 0.81 103.07 109.75 2ksy h GLY 128 Ca 0.13 -0.09 -0.18 0.00 0.00 0.00 0.00 47.33 47.20 2ksy h GLY 128 CO 0.02 -0.28 -0.60 1.98 0.00 0.00 0.00 176.54 177.66 2ksy h MET 129 N 0.30 0.63 0.00 4.80 1.85 -1.13 -2.87 114.93 118.51 2ksy h MET 129 Ca 0.52 -0.42 -0.06 0.00 -0.61 0.00 0.00 59.70 59.12 2ksy h MET 129 Cb 0.97 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 33.05 2ksy h MET 129 CO -0.57 1.04 -0.29 0.78 -0.40 0.00 0.00 176.91 177.48 2ksy h GLY 130 N 0.96 0.00 0.25 1.39 0.00 0.32 -0.58 103.07 105.41 2ksy h GLY 130 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 2ksy h GLY 130 CO 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.61 2ksy h ALA 131 N 1.71 -0.13 -1.00 3.60 0.00 0.46 0.29 119.26 124.18 2ksy h ALA 131 Ca -0.00 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.69 2ksy h ALA 131 Cb 0.61 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2ksy h ALA 131 CO 0.04 -0.20 0.65 0.28 0.00 0.00 0.00 179.25 180.02 2ksy h VAL 132 N -0.88 1.17 -0.22 0.00 2.07 -1.50 -0.91 116.25 115.97 2ksy h VAL 132 Ca -0.01 -0.43 -0.12 0.00 0.82 0.00 0.00 66.70 66.95 2ksy h VAL 132 Cb 0.56 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2ksy h VAL 132 CO 0.02 0.23 -0.38 0.00 0.02 0.00 0.00 177.57 177.46 2ksy h ALA 133 N 1.41 0.94 0.35 1.67 0.00 -1.15 -2.41 119.26 120.07 2ksy h ALA 133 Ca 0.40 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2ksy h ALA 133 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2ksy h ALA 133 CO -0.13 0.62 -0.28 0.35 0.00 0.00 0.00 179.25 179.81 2ksy h PHE 134 N 0.41 -0.74 -0.39 0.00 3.57 0.93 0.22 116.94 120.94 2ksy h PHE 134 Ca 0.04 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.62 2ksy h PHE 134 Cb 0.85 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 2ksy h PHE 134 CO 0.03 -0.41 0.27 0.82 -2.23 0.00 0.00 178.31 176.78 2ksy h ILE 135 N -0.63 0.90 -0.39 1.41 2.04 -1.33 0.14 117.51 119.65 2ksy h ILE 135 Ca -0.03 -0.06 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 2ksy h ILE 135 Cb 0.55 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2ksy h ILE 135 CO -0.02 0.03 -0.08 1.23 0.00 0.00 0.00 178.15 179.31 2ksy h GLY 136 N 0.18 0.73 0.43 5.37 0.00 -0.68 0.32 103.07 109.42 2ksy h GLY 136 Ca 0.18 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2ksy h GLY 136 CO -0.03 0.47 -0.07 -2.00 0.00 0.00 0.00 176.54 174.92 2ksy h LEU 137 N 0.62 -0.16 -1.82 3.11 5.85 0.12 -2.50 115.31 120.53 2ksy h LEU 137 Ca 0.11 -0.38 0.10 0.00 0.84 0.00 0.00 57.88 58.55 2ksy h LEU 137 Cb 0.51 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2ksy h LEU 137 CO 0.03 0.37 0.33 -0.37 -0.34 0.00 0.00 178.44 178.46 2ksy h VAL 138 N -0.76 0.86 -0.39 1.05 -1.51 -1.14 0.15 116.25 114.52 2ksy h VAL 138 Ca -0.02 -0.07 -0.01 0.00 -1.23 0.00 0.00 66.70 65.37 2ksy h VAL 138 Cb 0.53 0.63 -0.02 0.00 -2.13 0.00 0.00 31.29 30.31 2ksy h VAL 138 CO 0.03 0.04 0.22 0.22 -1.23 0.00 0.00 177.57 176.85 2ksy h TYR 139 N 0.21 0.52 -0.73 5.19 3.20 -0.82 -2.33 116.97 122.21 2ksy h TYR 139 Ca 0.23 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 2ksy h TYR 139 Cb 0.62 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 2ksy h TYR 139 CO -0.00 0.40 0.42 1.88 -1.64 0.00 0.00 178.16 179.22 2ksy h TYR 140 N 0.50 0.96 -0.44 -3.82 0.05 -0.52 0.54 116.97 114.24 2ksy h TYR 140 Ca 0.14 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.89 2ksy h TYR 140 Cb 0.04 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.45 2ksy h TYR 140 CO -0.03 0.65 0.18 -0.07 -1.05 0.00 0.00 178.16 177.85 2ksy h LEU 141 N 1.01 0.57 -0.82 3.88 3.38 -0.95 -1.60 115.31 120.78 2ksy h LEU 141 Ca 0.26 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2ksy h LEU 141 Cb -0.02 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2ksy h LEU 141 CO -0.05 0.51 -0.39 0.52 0.09 0.00 0.00 178.44 179.13 2ksy n VAL 142 N -4.37 0.00 0.00 1.22 0.31 -0.74 -4.23 118.33 110.52 2ksy n VAL 142 Ca 0.03 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2ksy n VAL 142 Cb 0.14 0.93 0.00 0.00 -0.91 0.00 0.00 33.84 34.01 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 1.39 -0.35 0.31 2.92 0.00 0.18 -4.57 105.19 105.06 2ksy n GLY 143 Ca 0.10 -0.61 0.17 0.00 0.00 0.00 0.00 46.02 45.68 2ksy n GLY 143 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ksy h PRO 144 N 0.00 0.00 -0.55 1.61 0.11 -1.87 -2.36 132.00 128.94 2ksy h PRO 144 Ca 0.00 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.27 2ksy h PRO 144 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2ksy h PRO 144 CO 0.00 0.00 0.44 0.52 -0.21 0.00 0.00 178.00 178.75 2ksy h MET 145 N 0.00 0.00 0.02 1.05 2.86 -1.81 -0.42 114.93 116.63 2ksy h MET 145 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2ksy h MET 145 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2ksy h MET 145 CO -0.00 0.00 -0.01 1.79 1.06 0.00 0.00 176.91 179.75 2ksy h THR 146 N 0.00 1.35 0.00 2.22 1.35 -1.59 -2.79 112.91 113.45 2ksy h THR 146 Ca 0.26 -1.19 -0.06 0.00 -0.55 0.00 0.00 66.41 64.88 2ksy h THR 146 Cb 1.14 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 69.69 2ksy h THR 146 CO -0.00 0.30 -0.28 -0.33 -0.25 0.00 0.00 175.52 174.96 2ksy h GLU 147 N -0.55 0.00 -0.03 4.72 5.08 -1.55 -1.96 114.58 120.29 2ksy h GLU 147 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2ksy h GLU 147 Cb 0.52 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2ksy h GLU 147 CO 0.00 0.28 -0.04 0.66 -1.00 0.00 0.00 179.01 178.91 2ksy h SER 148 N 0.00 0.09 0.22 1.42 4.64 -1.13 -3.23 113.55 115.57 2ksy h SER 148 Ca -0.00 -0.54 -0.29 0.00 -0.47 0.00 0.00 61.79 60.49 2ksy h SER 148 Cb 0.90 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.99 2ksy h SER 148 CO 0.04 0.61 -1.23 0.00 -0.87 0.00 0.00 176.83 175.37 2ksy h ALA 149 N 0.48 0.04 0.00 5.18 0.00 -1.54 -3.21 119.26 120.21 2ksy h ALA 149 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2ksy h ALA 149 Cb 0.59 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2ksy h ALA 149 CO 0.01 0.74 0.00 0.43 0.00 0.00 0.00 179.25 180.43 2ksy n SER 150 N -3.75 0.00 -0.43 0.00 7.64 -0.74 -1.08 113.62 115.26 2ksy n SER 150 Ca -0.12 0.40 0.07 0.00 1.01 0.00 0.00 58.87 60.22 2ksy n SER 150 Cb 0.98 -0.41 0.18 0.00 -1.01 0.00 0.00 64.21 63.96 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 -1.41 1.54 -0.11 1.43 6.02 -1.21 -4.72 117.38 118.93 2ksy n GLN 151 Ca 0.00 -2.97 -0.21 0.00 -0.01 0.00 0.00 57.00 53.82 2ksy n GLN 151 Cb 0.01 -1.59 -0.07 0.00 1.02 0.00 0.00 30.24 29.61 2ksy n GLN 151 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2ksy n ARG 152 N -1.23 0.48 -3.88 -1.09 1.74 -0.24 -5.06 116.66 107.38 2ksy n ARG 152 Ca 0.19 0.21 -0.08 0.00 -0.77 0.00 0.00 57.85 57.40 2ksy n ARG 152 Cb 0.70 -1.32 -0.03 0.00 -1.02 0.00 0.00 32.46 30.79 2ksy n ARG 152 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ksy s SER 153 N -6.84 -0.22 0.21 0.55 0.15 -1.26 -5.02 113.70 101.28 2ksy s SER 153 Ca -0.31 -0.68 -0.02 0.00 0.70 0.00 0.00 55.95 55.65 2ksy s SER 153 Cb 0.11 0.67 0.18 0.00 -1.71 0.00 0.00 66.02 65.26 2ksy s SER 153 CO 0.40 -1.24 1.55 -1.28 1.20 0.00 0.00 173.24 173.87 2ksy h SER 154 N 2.10 0.58 0.72 5.45 0.87 -1.94 -3.10 113.55 118.23 2ksy h SER 154 Ca -0.23 -0.28 -0.19 0.00 -1.23 0.00 0.00 61.79 59.86 2ksy h SER 154 Cb 1.25 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 63.03 2ksy h SER 154 CO 0.29 0.97 -0.88 1.23 -0.53 0.00 0.00 176.83 177.90 2ksy h GLY 155 N 1.09 0.11 1.26 5.77 0.00 -1.98 -3.25 103.07 106.07 2ksy h GLY 155 Ca 0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2ksy h GLY 155 CO 0.09 0.19 0.35 -2.22 0.00 0.00 0.00 176.54 174.94 2ksy h ILE 156 N 0.05 1.21 0.54 2.60 1.08 -1.87 -2.11 117.51 119.02 2ksy h ILE 156 Ca -0.03 -0.57 -0.03 0.00 -0.39 0.00 0.00 64.86 63.84 2ksy h ILE 156 Cb 1.53 0.32 0.01 0.00 -3.07 0.00 0.00 36.82 35.60 2ksy h ILE 156 CO 0.13 0.25 -0.26 0.50 -0.69 0.00 0.00 178.15 178.07 2ksy h LYS 157 N 0.96 -0.70 -0.45 2.37 1.63 -1.57 0.15 116.57 118.97 2ksy h LYS 157 Ca 0.24 0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 60.09 2ksy h LYS 157 Cb 0.07 0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 2ksy h LYS 157 CO -0.03 -0.45 0.28 0.77 -3.45 0.00 0.00 179.45 176.57 2ksy h SER 158 N -0.76 0.54 0.18 4.20 0.02 -1.63 -0.79 113.55 115.31 2ksy h SER 158 Ca -0.07 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.73 2ksy h SER 158 Cb 0.57 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2ksy h SER 158 CO 0.12 0.42 -0.37 0.25 -1.14 0.00 0.00 176.83 176.11 2ksy h LEU 159 N 0.60 0.27 -0.07 5.07 6.46 -1.35 -2.70 115.31 123.60 2ksy h LEU 159 Ca 0.16 -0.10 -0.10 0.00 -0.12 0.00 0.00 57.88 57.72 2ksy h LEU 159 Cb -0.03 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 2ksy h LEU 159 CO -0.03 0.62 -0.35 0.22 -0.62 0.00 0.00 178.44 178.28 2ksy h TYR 160 N 0.22 0.48 -0.76 1.25 3.20 -0.33 -2.28 116.97 118.75 2ksy h TYR 160 Ca 0.02 -0.21 -0.04 0.00 3.14 0.00 0.00 58.73 61.65 2ksy h TYR 160 Cb 0.76 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 2ksy h TYR 160 CO 0.01 0.96 0.34 -0.39 -1.64 0.00 0.00 178.16 177.44 2ksy h VAL 161 N -0.14 1.25 -0.18 1.81 -1.51 -1.15 0.20 116.25 116.53 2ksy h VAL 161 Ca -0.02 -0.74 -0.07 0.00 -1.23 0.00 0.00 66.70 64.63 2ksy h VAL 161 Cb 1.00 0.32 -0.00 0.00 -2.13 0.00 0.00 31.29 30.48 2ksy h VAL 161 CO 0.07 0.31 -0.15 -0.09 -1.23 0.00 0.00 177.57 176.48 2ksy h ARG 162 N 1.08 0.42 0.13 5.19 9.65 -1.55 -2.52 114.38 126.78 2ksy h ARG 162 Ca 0.26 -0.21 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 2ksy h ARG 162 Cb 0.17 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 2ksy h ARG 162 CO -0.03 0.76 -0.06 -0.07 2.80 0.00 0.00 179.97 183.37 2ksy h LEU 163 N 0.08 -0.15 -0.02 3.80 4.07 -1.31 -2.36 115.31 119.42 2ksy h LEU 163 Ca 0.03 -0.36 0.03 0.00 0.08 0.00 0.00 57.88 57.67 2ksy h LEU 163 Cb 0.67 0.04 -0.05 0.00 1.08 0.00 0.00 40.66 42.40 2ksy h LEU 163 CO 0.04 0.31 -0.25 -0.09 -1.08 0.00 0.00 178.44 177.37 2ksy h ARG 164 N -0.66 -0.37 -0.69 1.13 1.12 -0.71 0.63 114.38 114.84 2ksy h ARG 164 Ca -0.02 0.03 0.06 0.00 -1.11 0.00 0.00 59.98 58.94 2ksy h ARG 164 Cb 0.50 0.08 -0.06 0.00 -0.01 0.00 0.00 29.97 30.48 2ksy h ARG 164 CO 0.03 -0.24 0.39 -0.91 -3.11 0.00 0.00 179.97 176.12 2ksy h ASN 165 N -0.38 0.58 0.30 -3.80 -0.26 -1.55 -1.95 115.58 108.53 2ksy h ASN 165 Ca 0.07 0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.83 2ksy h ASN 165 Cb 0.48 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.64 2ksy h ASN 165 CO -0.24 0.37 -0.24 0.25 -1.06 0.00 0.00 177.43 176.51 2ksy h LEU 166 N 0.71 -0.63 -0.13 1.61 5.85 -0.80 -2.62 115.31 119.29 2ksy h LEU 166 Ca 0.31 0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.12 2ksy h LEU 166 Cb 0.20 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 2ksy h LEU 166 CO -0.19 -0.37 -0.17 0.74 -0.34 0.00 0.00 178.44 178.11 2ksy h THR 167 N -0.55 0.55 -1.00 1.05 2.02 -0.58 -2.17 112.91 112.23 2ksy h THR 167 Ca -0.02 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.29 2ksy h THR 167 Cb 0.49 0.55 -0.09 0.00 -1.74 0.00 0.00 68.15 67.35 2ksy h THR 167 CO -0.01 0.00 0.62 0.58 0.37 0.00 0.00 175.52 177.08 2ksy h VAL 168 N -0.22 0.87 0.32 3.16 2.07 -1.29 0.81 116.25 121.97 2ksy h VAL 168 Ca 0.10 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 2ksy h VAL 168 Cb 0.36 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2ksy h VAL 168 CO -0.26 0.17 -0.15 0.58 0.02 0.00 0.00 177.57 177.92 2ksy h VAL 169 N 0.94 0.00 0.00 2.57 2.07 -1.02 -2.03 116.25 118.79 2ksy h VAL 169 Ca 0.51 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.89 2ksy h VAL 169 Cb 0.57 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2ksy h VAL 169 CO -0.29 0.00 -0.07 0.17 0.02 0.00 0.00 177.57 177.40 2ksy h LEU 170 N -0.56 0.00 -0.55 2.57 8.10 -1.40 -1.75 115.31 121.71 2ksy h LEU 170 Ca -0.04 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.79 2ksy h LEU 170 Cb 0.33 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.53 2ksy h LEU 170 CO 0.07 0.07 -0.72 -0.50 -4.11 0.00 0.00 178.44 173.26 2ksy h TRP 171 N 0.00 0.08 0.00 0.17 4.06 -0.89 -2.62 115.95 116.76 2ksy h TRP 171 Ca -0.00 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.91 2ksy h TRP 171 Cb 0.14 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.29 2ksy h TRP 171 CO 0.00 0.75 0.00 0.00 -3.56 0.00 0.00 178.44 175.63 2ksy n ALA 172 N -2.42 1.53 0.03 1.49 0.00 -0.66 -1.96 120.51 118.52 2ksy n ALA 172 Ca -0.01 -0.04 -0.16 0.00 0.00 0.00 0.00 53.44 53.22 2ksy n ALA 172 Cb 0.70 -1.16 -0.14 0.00 0.00 0.00 0.00 19.45 18.85 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 0.94 -0.09 0.00 1.08 -1.48 -3.36 117.51 114.59 2ksy h ILE 173 Ca 0.00 -2.64 0.04 0.00 -0.39 0.00 0.00 64.86 61.86 2ksy h ILE 173 Cb 0.13 2.62 -0.04 0.00 -3.07 0.00 0.00 36.82 36.45 2ksy h ILE 173 CO 0.00 0.77 -0.16 1.88 -0.69 0.00 0.00 178.15 179.96 2ksy h TYR 174 N 0.06 -0.40 -0.85 1.37 0.05 -1.47 0.33 116.97 116.05 2ksy h TYR 174 Ca -0.30 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.47 2ksy h TYR 174 Cb 2.02 0.19 -0.04 0.00 1.01 0.00 0.00 36.73 39.92 2ksy h TYR 174 CO 0.05 -0.23 0.43 -1.00 -1.05 0.00 0.00 178.16 176.37 2ksy h PRO 175 N -0.21 1.20 0.21 4.88 0.13 -1.75 -1.10 132.00 135.36 2ksy h PRO 175 Ca 0.08 -0.16 -0.32 0.00 -0.87 0.00 0.00 66.00 64.74 2ksy h PRO 175 Cb 0.33 -0.23 0.03 0.00 0.13 0.00 0.00 31.00 31.26 2ksy h PRO 175 CO -0.22 0.90 -1.40 0.27 -0.23 0.00 0.00 178.00 177.32 2ksy h PHE 176 N 1.19 0.82 -0.55 1.56 -5.15 -1.65 -2.93 116.94 110.24 2ksy h PHE 176 Ca 0.29 -0.59 -0.02 0.00 -0.20 0.00 0.00 57.97 57.45 2ksy h PHE 176 Cb 0.08 -0.03 -0.03 0.00 0.22 0.00 0.00 35.95 36.19 2ksy h PHE 176 CO 0.01 1.46 0.26 0.82 -2.00 0.00 0.00 178.31 178.87 2ksy h ILE 177 N 0.12 1.20 0.00 0.88 1.08 -0.26 -0.63 117.51 119.90 2ksy h ILE 177 Ca -0.21 -0.58 -0.01 0.00 -0.39 0.00 0.00 64.86 63.67 2ksy h ILE 177 Cb 2.10 0.57 -0.00 0.00 -3.07 0.00 0.00 36.82 36.42 2ksy h ILE 177 CO 0.25 0.23 -0.03 -0.25 -0.69 0.00 0.00 178.15 177.66 2ksy h TRP 178 N 0.74 0.00 -0.05 1.37 7.01 -1.27 0.89 115.95 124.65 2ksy h TRP 178 Ca 0.19 0.00 -0.10 0.00 2.11 0.00 0.00 58.89 61.09 2ksy h TRP 178 Cb 0.12 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.19 2ksy h TRP 178 CO -0.00 0.03 -0.36 1.25 -2.79 0.00 0.00 178.44 176.58 2ksy h LEU 179 N 0.00 0.40 -0.02 0.65 7.12 -0.99 -2.77 115.31 119.70 2ksy h LEU 179 Ca -0.00 -0.68 -0.01 0.00 0.13 0.00 0.00 57.88 57.32 2ksy h LEU 179 Cb 0.07 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.08 2ksy h LEU 179 CO 0.00 1.02 -0.04 -0.07 -0.13 0.00 0.00 178.44 179.23 2ksy h LEU 180 N -0.19 0.07 -9.47 2.25 3.38 -0.58 0.42 115.31 111.18 2ksy h LEU 180 Ca -0.03 -0.56 -0.35 0.00 0.09 0.00 0.00 57.88 57.03 2ksy h LEU 180 Cb 1.03 -0.02 0.19 0.00 0.09 0.00 0.00 40.66 41.95 2ksy h LEU 180 CO 0.07 0.62 -0.59 0.61 0.09 0.00 0.00 178.44 179.24 2ksy n GLY 181 N 0.44 -2.68 0.29 0.83 0.00 0.25 -0.11 105.19 104.21 2ksy n GLY 181 Ca -0.08 -0.95 0.09 0.00 0.00 0.00 0.00 46.02 45.08 2ksy n GLY 181 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ksy h PRO 182 N -2.58 0.21 -0.37 1.61 0.11 -1.88 -0.27 132.00 128.83 2ksy h PRO 182 Ca -0.41 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.80 2ksy h PRO 182 Cb 1.12 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2ksy h PRO 182 CO 0.28 0.14 0.62 -1.35 -0.21 0.00 0.00 178.00 177.48 2ksy h PRO 183 N 0.22 0.00 0.00 1.05 0.11 -1.89 -3.37 132.00 128.13 2ksy h PRO 183 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 2ksy h PRO 183 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2ksy h PRO 183 CO -0.61 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.59 2ksy n GLY 184 N -1.46 0.38 0.24 -0.55 0.00 -0.22 -4.73 105.19 98.86 2ksy n GLY 184 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 2ksy n GLY 184 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ksy n VAL 185 N 0.00 0.00 -2.88 1.61 0.24 0.14 -5.02 118.33 112.41 2ksy n VAL 185 Ca 0.00 -0.35 -0.04 0.00 -2.04 0.00 0.00 64.34 61.91 2ksy n VAL 185 Cb 0.00 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 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 -0.37 -3.05 -0.10 2.33 0.00 0.37 -4.94 120.51 114.75 2ksy n ALA 186 Ca 0.05 0.54 -0.23 0.00 0.00 0.00 0.00 53.44 53.80 2ksy n ALA 186 Cb 0.25 -1.57 -0.11 0.00 0.00 0.00 0.00 19.45 18.01 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 0.55 1.96 0.00 0.00 4.77 0.85 -4.91 117.00 120.21 2ksy n LEU 187 Ca 0.02 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 2ksy n LEU 187 Cb 0.23 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 2ksy n LEU 187 CO 0.38 0.39 0.00 0.18 -1.33 0.00 0.00 177.39 177.01 2ksy n LEU 188 N -4.30 0.00 -4.89 2.23 4.77 -1.26 -5.10 117.00 108.44 2ksy n LEU 188 Ca -0.36 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.28 2ksy n LEU 188 Cb 0.75 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.79 2ksy n LEU 188 CO 0.18 0.00 -0.06 0.28 -1.33 0.00 0.00 177.39 176.46 2ksy s THR 189 N 2.24 5.29 0.34 -5.08 -1.32 -1.26 -4.85 115.64 111.01 2ksy s THR 189 Ca 0.00 0.07 0.11 0.00 -1.21 0.00 0.00 61.69 60.67 2ksy s THR 189 Cb 0.00 -3.58 0.34 0.00 -1.51 0.00 0.00 72.50 67.74 2ksy s THR 189 CO 0.00 0.28 1.77 1.55 -2.21 0.00 0.00 174.62 176.02 2ksy h PRO 190 N 3.68 0.57 -0.61 7.08 0.13 -2.00 -0.56 132.00 140.29 2ksy h PRO 190 Ca -0.49 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.64 2ksy h PRO 190 Cb 1.19 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 2ksy h PRO 190 CO 0.68 0.38 0.36 1.79 -0.23 0.00 0.00 178.00 180.99 2ksy h THR 191 N 0.59 1.05 -0.18 1.56 1.35 -2.00 -1.35 112.91 113.93 2ksy h THR 191 Ca 0.59 -0.24 -0.14 0.00 -0.55 0.00 0.00 66.41 66.07 2ksy h THR 191 Cb 1.16 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 2ksy h THR 191 CO -0.36 0.13 -0.42 0.58 -0.25 0.00 0.00 175.52 175.20 2ksy h VAL 192 N 0.71 1.34 -0.26 6.82 2.07 -1.55 -2.58 116.25 122.79 2ksy h VAL 192 Ca 0.25 -1.67 0.04 0.00 0.82 0.00 0.00 66.70 66.14 2ksy h VAL 192 Cb 0.06 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 2ksy h VAL 192 CO -0.12 0.51 0.03 -0.78 0.02 0.00 0.00 177.57 177.23 2ksy h ASP 193 N 0.26 -0.04 -0.55 0.57 3.58 -1.03 -2.23 116.42 116.97 2ksy h ASP 193 Ca -0.00 0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.43 2ksy h ASP 193 Cb 1.03 0.08 -0.03 0.00 1.72 0.00 0.00 39.33 42.13 2ksy h ASP 193 CO 0.09 0.01 0.12 0.58 -2.88 0.00 0.00 179.24 177.16 2ksy h VAL 194 N 0.11 1.24 -0.39 2.25 2.07 -1.31 -2.61 116.25 117.61 2ksy h VAL 194 Ca 0.12 -0.92 0.07 0.00 0.82 0.00 0.00 66.70 66.78 2ksy h VAL 194 Cb 0.14 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 2ksy h VAL 194 CO -0.18 0.34 0.03 0.00 0.02 0.00 0.00 177.57 177.78 2ksy h ALA 195 N 1.23 0.38 -0.65 1.67 0.00 -0.99 0.86 119.26 121.76 2ksy h ALA 195 Ca 0.19 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 2ksy h ALA 195 Cb 0.36 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2ksy h ALA 195 CO 0.00 -0.37 0.06 -0.07 0.00 0.00 0.00 179.25 178.87 2ksy h LEU 196 N 0.14 1.07 0.26 0.00 3.38 -1.33 -1.51 115.31 117.32 2ksy h LEU 196 Ca 0.19 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2ksy h LEU 196 Cb 0.26 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2ksy h LEU 196 CO -0.30 1.09 -0.18 0.40 0.09 0.00 0.00 178.44 179.54 2ksy h ILE 197 N 1.02 0.62 -0.73 1.22 1.08 -0.97 0.27 117.51 120.02 2ksy h ILE 197 Ca 0.19 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.79 2ksy h ILE 197 Cb 0.50 0.62 -0.05 0.00 -3.07 0.00 0.00 36.82 34.82 2ksy h ILE 197 CO 0.02 0.00 0.49 0.58 -0.69 0.00 0.00 178.15 178.55 2ksy h VAL 198 N -0.44 0.84 -0.10 1.67 2.07 -0.77 0.22 116.25 119.74 2ksy h VAL 198 Ca -0.02 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 2ksy h VAL 198 Cb 0.38 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2ksy h VAL 198 CO 0.01 0.09 -0.46 0.22 0.02 0.00 0.00 177.57 177.45 2ksy h TYR 199 N 0.48 0.29 -0.38 1.57 3.20 -0.15 -2.32 116.97 119.67 2ksy h TYR 199 Ca 0.35 -0.09 -0.13 0.00 3.14 0.00 0.00 58.73 62.00 2ksy h TYR 199 Cb 0.71 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 2ksy h TYR 199 CO -0.00 0.66 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.83 2ksy h LEU 200 N 0.20 0.92 -0.50 2.82 3.38 0.28 -2.10 115.31 120.30 2ksy h LEU 200 Ca 0.01 -0.44 -0.16 0.00 0.09 0.00 0.00 57.88 57.38 2ksy h LEU 200 Cb 0.89 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2ksy h LEU 200 CO 0.07 1.16 -0.56 0.44 0.09 0.00 0.00 178.44 179.64 2ksy h ASP 201 N 0.68 0.62 -0.04 -0.43 3.32 -1.32 -2.72 116.42 116.53 2ksy h ASP 201 Ca 0.07 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.71 2ksy h ASP 201 Cb 0.87 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 2ksy h ASP 201 CO 0.08 1.06 -0.18 -0.07 -1.72 0.00 0.00 179.24 178.40 2ksy h LEU 202 N 0.43 0.39 0.09 1.55 -0.00 -1.35 -3.11 115.31 113.31 2ksy h LEU 202 Ca 0.00 -0.11 -0.28 0.00 -0.00 0.00 0.00 57.88 57.50 2ksy h LEU 202 Cb 1.11 -0.10 0.01 0.00 -0.00 0.00 0.00 40.66 41.68 2ksy h LEU 202 CO 0.11 0.59 -1.23 1.62 -0.00 0.00 0.00 178.44 179.53 2ksy h VAL 203 N 0.37 1.43 0.00 1.22 3.04 -1.31 -2.14 116.25 118.86 2ksy h VAL 203 Ca 0.06 -2.85 0.00 0.00 -1.01 0.00 0.00 66.70 62.91 2ksy h VAL 203 Cb 0.53 2.85 0.00 0.00 -2.01 0.00 0.00 31.29 32.66 2ksy h VAL 203 CO 0.03 0.84 0.00 0.41 -1.01 0.00 0.00 177.57 177.84 2ksy n THR 204 N -3.62 0.00 0.00 3.17 -1.04 -1.03 -0.34 114.28 111.41 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 1.00 -0.88 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 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 -1.00 0.00 0.43 12.58 0.31 -0.81 -2.46 118.33 127.39 2ksy n VAL 206 Ca 0.06 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.22 2ksy n VAL 206 Cb 0.03 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.87 2ksy n VAL 206 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2ksy h GLY 207 N 0.00 -1.16 2.00 2.92 0.00 -0.64 -1.58 103.07 104.61 2ksy h GLY 207 Ca 0.00 0.43 -0.09 0.00 0.00 0.00 0.00 47.33 47.67 2ksy h GLY 207 CO 0.00 -0.42 -0.44 0.27 0.00 0.00 0.00 176.54 175.95 2ksy h PHE 208 N -1.19 0.00 -0.50 5.60 -5.15 -1.46 -2.77 116.94 111.47 2ksy h PHE 208 Ca -0.11 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.63 2ksy h PHE 208 Cb 0.85 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.00 2ksy h PHE 208 CO 0.02 0.44 0.21 0.78 -2.00 0.00 0.00 178.31 177.76 2ksy h GLY 209 N 1.33 0.76 0.58 6.09 0.00 -1.73 1.65 103.07 111.74 2ksy h GLY 209 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 2ksy h GLY 209 CO 0.06 0.35 -0.18 0.74 0.00 0.00 0.00 176.54 177.50 2ksy h PHE 210 N 0.70 0.29 0.00 5.60 0.04 -1.02 0.20 116.94 122.75 2ksy h PHE 210 Ca 0.17 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 2ksy h PHE 210 Cb 0.13 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 2ksy h PHE 210 CO 0.01 0.81 -0.10 0.82 -0.60 0.00 0.00 178.31 179.24 2ksy h ILE 211 N -0.31 0.81 -0.35 -0.55 2.04 -1.23 -0.50 117.51 117.42 2ksy h ILE 211 Ca -0.01 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.36 2ksy h ILE 211 Cb 0.81 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2ksy h ILE 211 CO 0.04 0.10 -0.22 0.00 0.00 0.00 0.00 178.15 178.07 2ksy h ALA 212 N 1.90 0.96 0.17 1.87 0.00 0.29 -2.06 119.26 122.39 2ksy h ALA 212 Ca -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2ksy h ALA 212 Cb 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2ksy h ALA 212 CO 0.01 0.60 -0.08 -0.07 0.00 0.00 0.00 179.25 179.72 2ksy h LEU 213 N 0.60 -0.19 0.01 0.00 3.38 0.65 -2.17 115.31 117.59 2ksy h LEU 213 Ca 0.09 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.74 2ksy h LEU 213 Cb 0.69 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2ksy h LEU 213 CO 0.05 0.28 -0.10 0.44 0.09 0.00 0.00 178.44 179.20 2ksy h ASP 214 N -0.74 -0.30 0.45 -0.43 3.32 -1.40 0.17 116.42 117.49 2ksy h ASP 214 Ca -0.02 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2ksy h ASP 214 Cb 0.51 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 2ksy h ASP 214 CO 0.04 -0.15 -0.38 0.00 -1.72 0.00 0.00 179.24 177.03 2ksy h ALA 215 N 0.78 -0.86 -0.48 3.45 0.00 -1.47 -2.21 119.26 118.46 2ksy h ALA 215 Ca 0.04 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2ksy h ALA 215 Cb 0.23 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2ksy h ALA 215 CO -0.10 -1.02 0.32 0.00 0.00 0.00 0.00 179.25 178.46 2ksy h ALA 216 N -0.44 1.85 -0.44 0.00 0.00 -1.31 -0.27 119.26 118.64 2ksy h ALA 216 Ca -0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2ksy h ALA 216 Cb 0.72 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2ksy h ALA 216 CO -0.02 0.08 0.23 0.00 0.00 0.00 0.00 179.25 179.54 2ksy h ALA 217 N 1.73 1.58 0.11 0.00 0.00 -0.14 -1.76 119.26 120.78 2ksy h ALA 217 Ca 0.20 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.77 2ksy h ALA 217 Cb 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2ksy h ALA 217 CO -0.05 0.35 -1.22 1.15 0.00 0.00 0.00 179.25 179.48 2ksy h THR 218 N 0.61 1.52 -0.85 0.00 2.02 -0.52 -2.17 112.91 113.52 2ksy h THR 218 Ca 0.16 -3.11 -0.01 0.00 0.77 0.00 0.00 66.41 64.22 2ksy h THR 218 Cb 0.03 2.93 -0.04 0.00 -1.74 0.00 0.00 68.15 69.33 2ksy h THR 218 CO -0.03 0.90 0.50 -0.07 0.37 0.00 0.00 175.52 177.20 2ksy h LEU 219 N 0.06 1.03 0.02 2.58 3.38 -0.56 -2.19 115.31 119.64 2ksy h LEU 219 Ca -0.12 -0.07 -0.25 0.00 0.09 0.00 0.00 57.88 57.54 2ksy h LEU 219 Cb 1.95 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 42.41 2ksy h LEU 219 CO 0.19 0.80 -1.25 0.08 0.09 0.00 0.00 178.44 178.35 2ksy h ARG 220 N 1.18 0.05 -0.30 1.13 0.11 -1.42 -2.82 114.38 112.32 2ksy h ARG 220 Ca 0.30 -0.09 -0.00 0.00 0.10 0.00 0.00 59.98 60.29 2ksy h ARG 220 Cb -0.03 0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.07 2ksy h ARG 220 CO -0.05 0.91 0.18 0.00 0.10 0.00 0.00 179.97 181.11 2ksy h ALA 221 N 0.90 1.75 0.00 0.08 0.00 -0.97 -1.55 119.26 119.47 2ksy h ALA 221 Ca -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2ksy h ALA 221 Cb 1.87 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2ksy h ALA 221 CO 0.13 0.22 -1.15 -0.85 0.00 0.00 0.00 179.25 177.60 2ksy n GLU 222 N -4.47 0.52 -1.29 0.00 0.28 -0.86 -5.07 120.64 109.75 2ksy n GLU 222 Ca 0.01 0.04 0.18 0.00 -0.16 0.00 0.00 57.16 57.23 2ksy n GLU 222 Cb 0.08 -1.72 -0.04 0.00 1.43 0.00 0.00 31.44 31.20 2ksy n GLU 222 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2ksy n HIS 223 N -2.41 -3.47 0.00 -1.84 8.25 -0.59 -5.00 115.22 110.15 2ksy n HIS 223 Ca -0.00 1.61 0.00 0.00 -0.26 0.00 0.00 57.72 59.07 2ksy n HIS 223 Cb 0.52 -2.95 0.00 0.00 1.12 0.00 0.00 29.99 28.68 2ksy n HIS 223 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ksy n GLY 224 N -3.80 0.02 3.83 -1.41 0.00 -1.26 -4.92 105.19 97.64 2ksy n GLY 224 Ca 0.01 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2ksy n GLY 224 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ksy s GLU 225 N -0.41 4.13 0.49 1.61 -1.05 -1.26 -5.09 118.70 117.12 2ksy s GLU 225 Ca 0.00 0.70 0.05 0.00 -0.15 0.00 0.00 54.97 55.56 2ksy s GLU 225 Cb 0.00 -2.90 0.05 0.00 -0.44 0.00 0.00 34.13 30.83 2ksy s GLU 225 CO 0.00 0.43 0.38 0.43 0.95 0.00 0.00 175.26 177.45 2ksy n SER 226 N 0.77 2.56 0.15 0.83 7.64 -1.26 -5.07 113.62 119.24 2ksy n SER 226 Ca -0.04 -2.69 -0.11 0.00 1.01 0.00 0.00 58.87 57.04 2ksy n SER 226 Cb 0.51 -0.04 -0.07 0.00 -1.01 0.00 0.00 64.21 63.60 2ksy n SER 226 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2ksy h LEU 227 N 0.00 -0.36 0.00 -3.43 3.38 -2.07 -3.49 115.31 109.35 2ksy h LEU 227 Ca -0.31 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2ksy h LEU 227 Cb 1.14 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2ksy h LEU 227 CO 0.49 0.09 0.00 0.00 0.09 0.00 0.00 178.44 179.11 2ksy n ALA 228 N -2.60 0.00 0.06 1.53 0.00 -1.26 -4.98 120.51 113.25 2ksy n ALA 228 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2ksy n ALA 228 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.92 3.50 0.00 0.00 -1.26 -5.13 105.19 101.38 2ksy n GLY 229 Ca 0.00 0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 3.69 -0.27 1.61 1.01 -1.26 -5.10 120.40 118.08 2ksy s VAL 230 Ca 0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 2ksy s VAL 230 Cb 0.00 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 2ksy s VAL 230 CO 0.00 0.53 0.18 -0.62 0.00 0.00 0.00 175.10 175.19 2ksy s ASP 231 N 0.01 5.99 0.00 3.32 2.15 -1.26 -4.89 116.67 121.99 2ksy s ASP 231 Ca -0.01 0.00 0.00 0.00 0.43 0.00 0.00 52.55 52.97 2ksy s ASP 231 Cb -0.14 -2.11 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 2ksy s ASP 231 CO 0.03 -0.03 0.33 1.07 -0.17 0.00 0.00 175.17 176.40 2ksy n THR 232 N 4.93 0.11 -1.40 1.71 5.66 -1.26 -5.09 114.28 118.94 2ksy n THR 232 Ca -0.14 -0.21 -0.24 0.00 -3.05 0.00 0.00 64.05 60.40 2ksy n THR 232 Cb 0.52 1.39 0.19 0.00 -1.55 0.00 0.00 70.33 70.88 2ksy n THR 232 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2ksy n ASP 233 N -0.06 -0.81 -4.04 1.09 8.00 -1.26 -5.04 116.55 114.43 2ksy n ASP 233 Ca 0.00 -1.24 -0.33 0.00 0.71 0.00 0.00 54.79 53.92 2ksy n ASP 233 Cb 0.26 -0.83 -0.12 0.00 -0.02 0.00 0.00 41.12 40.40 2ksy n ASP 233 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2ksy s THR 234 N -3.06 3.06 0.01 -3.53 2.01 -1.26 -4.97 115.64 107.89 2ksy s THR 234 Ca 0.61 -2.82 -0.25 0.00 0.31 0.00 0.00 61.69 59.53 2ksy s THR 234 Cb -0.03 -3.08 -0.17 0.00 0.01 0.00 0.00 72.50 69.23 2ksy s THR 234 CO 0.44 -0.78 1.23 1.55 -0.69 0.00 0.00 174.62 176.38 2ksy h PRO 235 N 7.13 -0.35 -5.28 4.92 0.13 -2.03 -3.44 132.00 133.08 2ksy h PRO 235 Ca -0.06 0.02 -0.64 0.00 -0.87 0.00 0.00 66.00 64.45 2ksy h PRO 235 Cb 0.96 0.08 -0.33 0.00 0.13 0.00 0.00 31.00 31.84 2ksy h PRO 235 CO 0.67 -0.02 -0.87 0.00 -0.23 0.00 0.00 178.00 177.56 2ksy s ALA 236 N -4.75 1.95 0.99 -0.56 0.00 -1.26 -5.13 121.76 113.00 2ksy s ALA 236 Ca -0.14 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 50.85 2ksy s ALA 236 Cb 0.02 -0.72 0.19 0.00 0.00 0.00 0.00 23.12 22.61 2ksy s ALA 236 CO 0.55 0.27 1.11 0.14 0.00 0.00 0.00 175.76 177.84 2ksy s VAL 237 N 0.31 2.09 0.10 0.00 -7.23 -1.26 -5.01 120.40 109.40 2ksy s VAL 237 Ca -0.15 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 2ksy s VAL 237 Cb -0.17 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.70 2ksy s VAL 237 CO 0.07 -0.04 0.00 0.00 -0.31 0.00 0.00 175.10 174.82 2ksy n ALA 238 N -4.43 3.00 -2.60 1.32 0.00 -1.26 -5.04 120.51 111.50 2ksy n ALA 238 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.13 2ksy n ALA 238 Cb 0.53 0.10 -0.09 0.00 0.00 0.00 0.00 19.45 19.99 2ksy n ALA 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ksy s ASP 239 N -5.25 6.28 -0.18 0.00 1.11 -1.26 -4.93 116.67 112.45 2ksy s ASP 239 Ca 0.00 0.24 -0.05 0.00 0.18 0.00 0.00 52.55 52.92 2ksy s ASP 239 Cb 0.00 -2.23 -0.09 0.00 1.07 0.00 0.00 42.92 41.67 2ksy s ASP 239 CO 0.00 -0.25 -0.21 -0.11 1.18 0.00 0.00 175.17 175.78 2ksy n LEU 240 N 5.42 1.92 0.01 1.23 7.94 -1.26 -4.46 117.00 127.80 2ksy n LEU 240 Ca -0.07 0.11 0.05 0.00 -1.11 0.00 0.00 56.01 54.99 2ksy n LEU 240 Cb 0.50 -0.57 0.23 0.00 0.53 0.00 0.00 43.42 44.11 2ksy n LEU 240 CO 0.39 0.53 0.67 -0.62 -1.11 0.00 0.00 177.39 177.25 2ksy n GLU 241 N -3.53 0.01 -3.76 1.96 4.71 -1.26 -4.21 120.64 114.56 2ksy n GLU 241 Ca -0.34 0.34 -0.30 0.00 -0.01 0.00 0.00 57.16 56.85 2ksy n GLU 241 Cb 0.78 -1.52 -0.15 0.00 -1.01 0.00 0.00 31.44 29.54 2ksy n GLU 241 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 2ksy s HIS 242 N -3.02 1.73 -0.04 -0.32 2.46 -1.26 -5.02 115.29 109.83 2ksy s HIS 242 Ca 0.05 -1.66 -0.02 0.00 0.47 0.00 0.00 55.06 53.90 2ksy s HIS 242 Cb 0.07 -1.65 -0.01 0.00 -0.13 0.00 0.00 32.58 30.86 2ksy s HIS 242 CO 0.19 -0.83 -0.04 1.25 -2.47 0.00 0.00 174.74 172.83 2ksy h HIS 243 N 8.08 0.00 -1.11 3.88 2.76 -1.84 -3.45 115.15 123.48 2ksy h HIS 243 Ca -0.14 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 57.72 2ksy h HIS 243 Cb 1.03 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.99 2ksy h HIS 243 CO 0.36 0.00 1.14 0.72 -1.30 0.00 0.00 177.93 178.85 2ksy n HIS 244 N -2.90 1.28 -3.88 5.26 8.25 -1.26 -4.88 115.22 117.09 2ksy n HIS 244 Ca -0.02 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2ksy n HIS 244 Cb 0.06 -2.58 0.00 0.00 1.12 0.00 0.00 29.99 28.59 2ksy n HIS 244 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2ksy n HIS 245 N 16.44 0.00 0.03 4.41 -0.00 -1.26 -5.08 115.22 129.75 2ksy n HIS 245 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.14 2ksy n HIS 245 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 2ksy n HIS 245 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ksy n HIS 246 N 0.00 -2.68 -0.75 -1.40 -0.00 -1.26 -5.29 115.22 103.84 2ksy n HIS 246 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 57.72 57.89 2ksy n HIS 246 Cb 0.00 0.87 0.00 0.00 -0.00 0.00 0.00 29.99 30.86 2ksy n HIS 246 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92