#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 0.11 3.17 0.24 -1.26 -4.85 118.33 115.74 2ksy n VAL 2 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.26 2ksy n VAL 2 Cb 0.00 0.92 0.13 0.00 -1.47 0.00 0.00 33.84 33.43 2ksy n VAL 2 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2ksy h GLY 3 N 0.00 0.14 1.32 7.63 0.00 -2.02 -3.20 103.07 106.94 2ksy h GLY 3 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 47.33 46.93 2ksy h GLY 3 CO 0.00 0.16 -0.87 1.41 0.00 0.00 0.00 176.54 177.24 2ksy h LEU 4 N 0.09 0.79 -1.27 3.11 3.38 -1.97 -3.26 115.31 116.18 2ksy h LEU 4 Ca -0.01 -0.56 0.13 0.00 0.09 0.00 0.00 57.88 57.52 2ksy h LEU 4 Cb 1.13 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 2ksy h LEU 4 CO 0.09 1.35 0.57 0.71 0.09 0.00 0.00 178.44 181.25 2ksy h THR 5 N 0.41 0.88 -0.71 0.22 1.35 -1.84 -1.02 112.91 112.20 2ksy h THR 5 Ca -0.07 -0.25 0.10 0.00 -0.55 0.00 0.00 66.41 65.63 2ksy h THR 5 Cb 1.49 0.07 -0.05 0.00 -1.73 0.00 0.00 68.15 67.94 2ksy h THR 5 CO 0.17 0.14 0.47 0.71 -0.25 0.00 0.00 175.52 176.75 2ksy h THR 6 N 0.74 0.91 0.30 6.82 1.35 -1.62 -1.88 112.91 119.54 2ksy h THR 6 Ca 0.43 -0.20 -0.01 0.00 -0.55 0.00 0.00 66.41 66.08 2ksy h THR 6 Cb 0.61 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.33 2ksy h THR 6 CO -0.19 0.10 -0.14 -0.07 -0.25 0.00 0.00 175.52 174.97 2ksy h LEU 7 N 0.57 -0.34 -1.67 3.87 -0.00 -1.35 -0.79 115.31 115.61 2ksy h LEU 7 Ca 0.33 -0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 58.12 2ksy h LEU 7 Cb 0.52 0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 41.25 2ksy h LEU 7 CO -0.11 -0.11 0.19 -0.26 -0.00 0.00 0.00 178.44 178.15 2ksy h PHE 8 N -0.56 0.39 -0.03 1.13 0.04 -1.49 -0.30 116.94 116.12 2ksy h PHE 8 Ca -0.04 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 2ksy h PHE 8 Cb 0.41 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.43 2ksy h PHE 8 CO -0.01 0.26 -0.02 -1.49 -0.60 0.00 0.00 178.31 176.44 2ksy h TRP 9 N 0.41 0.07 -0.90 -0.55 -0.00 -1.16 -0.49 115.95 113.34 2ksy h TRP 9 Ca 0.11 -0.02 0.02 0.00 -0.00 0.00 0.00 58.89 59.00 2ksy h TRP 9 Cb -0.02 -0.02 -0.05 0.00 -0.00 0.00 0.00 29.16 29.07 2ksy h TRP 9 CO 0.00 0.48 0.59 -0.07 -0.00 0.00 0.00 178.44 179.44 2ksy h LEU 10 N -0.35 1.00 -0.83 -4.49 3.38 -0.72 -1.55 115.31 111.74 2ksy h LEU 10 Ca 0.01 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2ksy h LEU 10 Cb 0.46 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2ksy h LEU 10 CO 0.00 0.71 -0.20 1.23 0.09 0.00 0.00 178.44 180.27 2ksy h GLY 11 N 1.17 0.71 1.67 0.83 0.00 -0.95 -2.50 103.07 104.00 2ksy h GLY 11 Ca 0.34 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 2ksy h GLY 11 CO -0.09 0.52 0.09 0.00 0.00 0.00 0.00 176.54 177.06 2ksy h ALA 12 N 1.20 1.60 -0.01 3.60 0.00 -0.09 -1.86 119.26 123.70 2ksy h ALA 12 Ca 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ksy h ALA 12 Cb 0.66 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2ksy h ALA 12 CO 0.05 0.31 0.00 0.82 0.00 0.00 0.00 179.25 180.43 2ksy h ILE 13 N 0.42 1.22 -0.69 0.00 1.08 -0.99 -2.03 117.51 116.53 2ksy h ILE 13 Ca 0.10 -0.66 0.05 0.00 -0.39 0.00 0.00 64.86 63.96 2ksy h ILE 13 Cb 0.14 1.67 -0.04 0.00 -3.07 0.00 0.00 36.82 35.51 2ksy h ILE 13 CO -0.01 0.17 0.46 1.23 -0.69 0.00 0.00 178.15 179.31 2ksy h GLY 14 N -0.27 0.93 0.90 5.37 0.00 -1.18 -2.18 103.07 106.64 2ksy h GLY 14 Ca 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 2ksy h GLY 14 CO 0.00 0.25 -0.00 -0.33 0.00 0.00 0.00 176.54 176.46 2ksy h MET 15 N 0.78 0.59 -0.63 4.80 2.86 -1.21 -2.70 114.93 119.42 2ksy h MET 15 Ca 0.29 -0.19 0.10 0.00 -2.06 0.00 0.00 59.70 57.84 2ksy h MET 15 Cb 0.15 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.68 2ksy h MET 15 CO -0.09 0.71 0.25 1.25 1.06 0.00 0.00 176.91 180.09 2ksy h LEU 16 N 0.39 0.25 -0.57 1.22 7.12 -0.74 0.18 115.31 123.17 2ksy h LEU 16 Ca 0.09 0.08 -0.01 0.00 0.13 0.00 0.00 57.88 58.18 2ksy h LEU 16 Cb 0.45 0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.60 2ksy h LEU 16 CO 0.02 0.15 0.33 0.58 -0.13 0.00 0.00 178.44 179.39 2ksy h VAL 17 N 0.43 1.18 -0.35 1.05 2.07 -1.37 -2.57 116.25 116.69 2ksy h VAL 17 Ca 0.32 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 2ksy h VAL 17 Cb 0.39 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 2ksy h VAL 17 CO -0.31 0.18 -0.03 1.23 0.02 0.00 0.00 177.57 178.66 2ksy h GLY 18 N 0.77 0.70 0.23 2.17 0.00 -0.99 -2.32 103.07 103.64 2ksy h GLY 18 Ca 0.20 -0.54 0.14 0.00 0.00 0.00 0.00 47.33 47.14 2ksy h GLY 18 CO -0.04 0.50 0.43 -0.84 0.00 0.00 0.00 176.54 176.58 2ksy h THR 19 N 0.45 0.73 -0.14 4.70 2.02 -0.47 -1.34 112.91 118.86 2ksy h THR 19 Ca 0.10 -0.21 -0.10 0.00 0.77 0.00 0.00 66.41 66.96 2ksy h THR 19 Cb 0.51 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2ksy h THR 19 CO 0.02 0.11 -0.32 -0.07 0.37 0.00 0.00 175.52 175.64 2ksy h LEU 20 N 0.61 0.51 -1.74 2.58 3.38 -1.38 0.15 115.31 119.42 2ksy h LEU 20 Ca 0.45 -0.57 0.08 0.00 0.09 0.00 0.00 57.88 57.93 2ksy h LEU 20 Cb 0.64 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2ksy h LEU 20 CO -0.36 0.99 0.33 0.00 0.09 0.00 0.00 178.44 179.49 2ksy h ALA 21 N 0.53 2.06 0.10 1.53 0.00 -0.79 0.15 119.26 122.85 2ksy h ALA 21 Ca -0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.54 2ksy h ALA 21 Cb 0.92 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2ksy h ALA 21 CO 0.07 -0.16 -1.99 1.19 0.00 0.00 0.00 179.25 178.35 2ksy n PHE 22 N -4.47 1.15 0.04 0.00 3.72 -0.58 -3.44 117.46 113.89 2ksy n PHE 22 Ca 0.07 0.26 -0.13 0.00 -0.05 0.00 0.00 57.45 57.61 2ksy n PHE 22 Cb 0.34 -1.16 -0.08 0.00 -0.94 0.00 0.00 39.48 37.64 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 0.20 -0.05 -0.02 4.37 0.00 -0.63 0.38 119.26 123.50 2ksy h ALA 23 Ca -0.42 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2ksy h ALA 23 Cb 2.03 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.84 2ksy h ALA 23 CO 0.08 -0.43 0.01 2.35 0.00 0.00 0.00 179.25 181.26 2ksy h TRP 24 N -0.26 0.02 0.00 0.00 2.91 -1.17 -1.69 115.95 115.76 2ksy h TRP 24 Ca -0.01 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2ksy h TRP 24 Cb 0.23 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.88 2ksy h TRP 24 CO -0.01 0.01 0.00 0.00 -1.03 0.00 0.00 178.44 177.41 2ksy h ALA 25 N 1.01 1.00 0.09 2.65 0.00 -1.57 -3.20 119.26 119.24 2ksy h ALA 25 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ksy h ALA 25 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2ksy h ALA 25 CO -0.01 0.00 -0.04 0.78 0.00 0.00 0.00 179.25 179.98 2ksy h GLY 26 N 2.22 -0.13 0.51 0.00 0.00 0.66 -3.30 103.07 103.03 2ksy h GLY 26 Ca 0.00 0.05 0.09 0.00 0.00 0.00 0.00 47.33 47.47 2ksy h GLY 26 CO 0.00 -0.05 0.42 3.21 0.00 0.00 0.00 176.54 180.13 2ksy h ARG 27 N -0.79 0.70 -5.00 4.80 3.08 -1.40 -3.29 114.38 112.46 2ksy h ARG 27 Ca -0.01 -0.04 -0.70 0.00 0.07 0.00 0.00 59.98 59.30 2ksy h ARG 27 Cb 0.58 -0.16 -0.17 0.00 0.08 0.00 0.00 29.97 30.30 2ksy h ARG 27 CO 0.02 0.46 0.98 0.34 -1.07 0.00 0.00 179.97 180.70 2ksy s ASP 28 N -5.57 6.72 0.02 7.04 2.15 -1.21 -4.91 116.67 120.91 2ksy s ASP 28 Ca -0.12 -2.24 -0.01 0.00 0.43 0.00 0.00 52.55 50.61 2ksy s ASP 28 Cb 0.19 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 2ksy s ASP 28 CO 0.77 -1.01 0.05 0.00 -0.17 0.00 0.00 175.17 174.81 2ksy n ALA 29 N 6.43 -0.11 -1.00 3.66 0.00 -1.24 -4.85 120.51 123.40 2ksy n ALA 29 Ca 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2ksy n ALA 29 Cb 0.48 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2ksy n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ksy n GLY 30 N -0.03 0.42 0.00 0.00 0.00 -1.26 -5.05 105.19 99.27 2ksy n GLY 30 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2ksy n GLY 30 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ksy n SER 31 N 0.00 0.16 0.03 1.61 2.88 -1.26 -4.82 113.62 112.22 2ksy n SER 31 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 2ksy n SER 31 Cb 0.00 0.01 0.29 0.00 -0.75 0.00 0.00 64.21 63.76 2ksy n SER 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ksy n GLY 32 N 0.97 -1.39 0.12 0.46 0.00 -1.26 -3.69 105.19 100.40 2ksy n GLY 32 Ca 0.00 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 45.86 2ksy n GLY 32 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ksy h GLU 33 N 0.00 0.00 -1.01 1.61 5.08 -1.98 -3.35 114.58 114.93 2ksy h GLU 33 Ca 0.00 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.61 2ksy h GLU 33 Cb 0.61 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.78 2ksy h GLU 33 CO 0.00 0.09 0.66 -0.09 -1.00 0.00 0.00 179.01 178.67 2ksy h ARG 34 N 0.00 0.34 0.41 2.33 2.43 -1.88 -1.34 114.38 116.67 2ksy h ARG 34 Ca -0.04 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 2ksy h ARG 34 Cb 1.15 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 2ksy h ARG 34 CO 0.01 0.23 -0.20 0.00 -1.51 0.00 0.00 179.97 178.51 2ksy h ARG 35 N 0.35 -0.53 -0.00 0.20 3.08 -1.81 -0.26 114.38 115.41 2ksy h ARG 35 Ca 0.55 0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.61 2ksy h ARG 35 Cb 1.48 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.64 2ksy h ARG 35 CO -0.23 -0.31 -0.10 1.88 -1.07 0.00 0.00 179.97 180.15 2ksy h TYR 36 N -0.62 0.00 0.19 3.04 0.05 -1.52 -1.72 116.97 116.39 2ksy h TYR 36 Ca -0.06 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 2ksy h TYR 36 Cb 0.46 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.20 2ksy h TYR 36 CO -0.03 0.10 -0.09 1.88 -1.05 0.00 0.00 178.16 178.97 2ksy h TYR 37 N 0.00 -0.24 -0.79 4.88 0.05 -1.09 -2.41 116.97 117.38 2ksy h TYR 37 Ca -0.00 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.86 2ksy h TYR 37 Cb 0.18 0.08 -0.05 0.00 1.01 0.00 0.00 36.73 37.95 2ksy h TYR 37 CO 0.00 0.12 0.51 0.28 -1.05 0.00 0.00 178.16 178.02 2ksy h VAL 38 N -0.95 0.98 0.14 -2.88 2.07 -0.97 0.32 116.25 114.95 2ksy h VAL 38 Ca -0.03 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2ksy h VAL 38 Cb 0.47 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 2ksy h VAL 38 CO 0.04 0.14 -0.07 0.74 0.02 0.00 0.00 177.57 178.45 2ksy h THR 39 N 0.76 0.95 -0.37 2.57 2.02 -1.38 0.25 112.91 117.72 2ksy h THR 39 Ca 0.35 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2ksy h THR 39 Cb 0.37 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 2ksy h THR 39 CO -0.13 0.09 0.21 0.25 0.37 0.00 0.00 175.52 176.31 2ksy h LEU 40 N -0.36 0.46 -1.52 2.58 5.85 -0.87 -1.83 115.31 119.63 2ksy h LEU 40 Ca -0.02 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2ksy h LEU 40 Cb 0.29 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2ksy h LEU 40 CO 0.03 0.40 0.31 0.58 -0.34 0.00 0.00 178.44 179.42 2ksy h VAL 41 N 0.48 1.13 -0.44 1.05 2.07 -0.91 -1.57 116.25 118.06 2ksy h VAL 41 Ca 0.13 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 2ksy h VAL 41 Cb 0.03 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2ksy h VAL 41 CO -0.02 0.12 0.11 1.23 0.02 0.00 0.00 177.57 179.03 2ksy h GLY 42 N 0.66 0.70 0.70 2.17 0.00 -0.10 -1.73 103.07 105.46 2ksy h GLY 42 Ca 0.17 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 2ksy h GLY 42 CO -0.04 0.36 -0.26 -2.22 0.00 0.00 0.00 176.54 174.38 2ksy h ILE 43 N 0.64 0.28 -0.01 2.60 2.04 -0.84 -1.80 117.51 120.43 2ksy h ILE 43 Ca 0.15 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2ksy h ILE 43 Cb 0.24 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2ksy h ILE 43 CO -0.00 0.04 0.02 0.77 0.00 0.00 0.00 178.15 178.98 2ksy h SER 44 N -1.04 0.00 0.02 1.72 4.64 -1.47 -2.24 113.55 115.18 2ksy h SER 44 Ca -0.07 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2ksy h SER 44 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2ksy h SER 44 CO 0.12 0.00 -0.01 1.23 -0.87 0.00 0.00 176.83 177.30 2ksy h GLY 45 N 0.00 -0.03 1.04 -0.77 0.00 -1.17 -2.52 103.07 99.63 2ksy h GLY 45 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.39 2ksy h GLY 45 CO -0.00 -0.01 0.52 0.16 0.00 0.00 0.00 176.54 177.21 2ksy h ILE 46 N -1.00 1.08 -0.23 2.60 3.07 -1.17 -2.24 117.51 119.62 2ksy h ILE 46 Ca -0.00 -0.32 -0.06 0.00 1.55 0.00 0.00 64.86 66.03 2ksy h ILE 46 Cb 0.39 0.08 -0.01 0.00 -0.27 0.00 0.00 36.82 37.01 2ksy h ILE 46 CO 0.00 0.17 -0.10 0.00 -1.05 0.00 0.00 178.15 177.17 2ksy h ALA 47 N 1.55 0.32 -0.81 0.16 0.00 -1.54 -2.59 119.26 116.36 2ksy h ALA 47 Ca 0.33 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 55.05 2ksy h ALA 47 Cb 0.13 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 2ksy h ALA 47 CO -0.11 0.17 0.44 0.00 0.00 0.00 0.00 179.25 179.75 2ksy h ALA 48 N 0.72 1.18 -0.11 0.00 0.00 -0.95 -0.34 119.26 119.77 2ksy h ALA 48 Ca 0.05 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 2ksy h ALA 48 Cb 0.60 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2ksy h ALA 48 CO 0.03 0.01 -0.63 -0.39 0.00 0.00 0.00 179.25 178.28 2ksy h VAL 49 N 0.71 1.36 -0.20 0.00 -1.51 -1.47 -2.69 116.25 112.44 2ksy h VAL 49 Ca 0.41 -1.98 -0.09 0.00 -1.23 0.00 0.00 66.70 63.82 2ksy h VAL 49 Cb 0.46 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.58 2ksy h VAL 49 CO -0.29 0.60 -0.25 0.00 -1.23 0.00 0.00 177.57 176.40 2ksy h ALA 50 N 1.04 1.20 -0.37 5.19 0.00 -0.83 -2.37 119.26 123.12 2ksy h ALA 50 Ca -0.01 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 2ksy h ALA 50 Cb 1.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2ksy h ALA 50 CO 0.11 0.52 -0.34 1.88 0.00 0.00 0.00 179.25 181.42 2ksy h TYR 51 N 0.33 1.06 -0.45 0.00 -1.99 -0.99 -1.77 116.97 113.15 2ksy h TYR 51 Ca 0.05 -0.31 -0.01 0.00 2.00 0.00 0.00 58.73 60.46 2ksy h TYR 51 Cb 0.62 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 39.11 2ksy h TYR 51 CO 0.02 1.12 0.25 0.00 -0.00 0.00 0.00 178.16 179.55 2ksy h ALA 52 N 0.77 0.58 0.00 3.88 0.00 -1.23 0.30 119.26 123.56 2ksy h ALA 52 Ca 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ksy h ALA 52 Cb 0.92 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2ksy h ALA 52 CO 0.09 0.09 -0.00 -0.39 0.00 0.00 0.00 179.25 179.04 2ksy h VAL 53 N 0.59 1.29 -0.22 0.00 -1.51 -1.41 -1.08 116.25 113.92 2ksy h VAL 53 Ca 0.16 -0.89 0.06 0.00 -1.23 0.00 0.00 66.70 64.79 2ksy h VAL 53 Cb 0.04 1.90 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 2ksy h VAL 53 CO -0.03 0.23 0.16 0.24 -1.23 0.00 0.00 177.57 176.94 2ksy h MET 54 N -0.39 0.04 -0.03 5.19 2.07 -1.26 -0.24 114.93 120.31 2ksy h MET 54 Ca -0.00 -0.00 -0.19 0.00 -2.07 0.00 0.00 59.70 57.44 2ksy h MET 54 Cb 0.38 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.10 2ksy h MET 54 CO 0.00 0.03 -0.79 0.00 1.07 0.00 0.00 176.91 177.22 2ksy h ALA 55 N 1.89 0.58 0.00 6.32 0.00 -0.68 -3.06 119.26 124.30 2ksy h ALA 55 Ca 0.10 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2ksy h ALA 55 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2ksy h ALA 55 CO -0.01 0.82 0.00 1.28 0.00 0.00 0.00 179.25 181.34 2ksy n LEU 56 N -3.77 0.00 0.00 0.00 4.77 -0.11 -4.72 117.00 113.17 2ksy n LEU 56 Ca -0.04 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2ksy n LEU 56 Cb 0.75 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2ksy n LEU 56 CO 0.48 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2ksy n GLY 57 N 0.11 3.43 3.77 -0.72 0.00 -1.14 -5.05 105.19 105.59 2ksy n GLY 57 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2ksy n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ksy s VAL 58 N -2.87 3.18 0.00 1.61 -7.23 -1.18 -3.60 120.40 110.31 2ksy s VAL 58 Ca 0.00 0.77 0.00 0.00 -1.81 0.00 0.00 61.98 60.94 2ksy s VAL 58 Cb 0.00 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 33.61 2ksy s VAL 58 CO 0.00 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 2ksy n GLY 59 N 0.21 0.60 3.22 2.32 0.00 -1.26 -4.06 105.19 106.22 2ksy n GLY 59 Ca 0.10 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.00 3.48 -0.32 1.61 0.52 -1.24 -2.13 118.94 118.86 2ksy s TRP 60 Ca 0.00 -2.00 -0.14 0.00 0.02 0.00 0.00 56.10 53.98 2ksy s TRP 60 Cb 0.00 -3.54 -0.02 0.00 -1.15 0.00 0.00 33.47 28.75 2ksy s TRP 60 CO 0.00 -0.97 0.29 0.08 0.02 0.00 0.00 176.95 176.37 2ksy s VAL 61 N 0.86 5.24 0.40 4.03 1.01 -0.09 -4.98 120.40 126.86 2ksy s VAL 61 Ca 0.10 0.02 -0.25 0.00 0.00 0.00 0.00 61.98 61.85 2ksy s VAL 61 Cb -0.22 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.35 2ksy s VAL 61 CO -0.03 0.02 1.17 -2.16 0.00 0.00 0.00 175.10 174.10 2ksy s PRO 62 N 1.87 4.06 -0.32 2.72 0.04 -1.26 -1.60 135.00 140.51 2ksy s PRO 62 Ca 0.09 1.85 -0.02 0.00 0.04 0.00 0.00 61.00 62.96 2ksy s PRO 62 Cb -0.17 -2.69 0.12 0.00 0.04 0.00 0.00 34.50 31.80 2ksy s PRO 62 CO 0.11 -0.31 0.16 0.08 0.04 0.00 0.00 177.00 177.08 2ksy s VAL 63 N -1.41 0.14 0.00 -0.36 1.01 0.89 -4.90 120.40 115.77 2ksy s VAL 63 Ca 0.57 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2ksy s VAL 63 Cb -0.31 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 34.95 2ksy s VAL 63 CO 0.39 -0.82 0.00 0.00 0.00 0.00 0.00 175.10 174.67 2ksy n ALA 64 N 4.73 0.00 0.00 5.51 0.00 -1.26 -0.21 120.51 129.28 2ksy n ALA 64 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2ksy n ALA 64 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2ksy n ALA 64 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ksy n GLU 65 N 0.00 1.09 -4.08 0.00 1.02 -1.26 -5.05 120.64 112.36 2ksy n GLU 65 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 2ksy n GLU 65 Cb 0.00 -0.91 -0.05 0.00 -0.02 0.00 0.00 31.44 30.46 2ksy n GLU 65 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2ksy s ARG 66 N -1.73 2.93 0.00 3.49 1.81 0.70 -5.12 118.95 121.03 2ksy s ARG 66 Ca 0.00 -0.88 0.05 0.00 -1.72 0.00 0.00 55.73 53.18 2ksy s ARG 66 Cb 0.00 -2.65 -0.03 0.00 -0.45 0.00 0.00 34.95 31.82 2ksy s ARG 66 CO 0.00 0.47 -0.14 0.99 -0.68 0.00 0.00 175.30 175.95 2ksy s THR 67 N -1.81 3.12 0.05 0.02 2.01 -1.26 -0.08 115.64 117.69 2ksy s THR 67 Ca 0.31 -0.93 0.06 0.00 0.31 0.00 0.00 61.69 61.45 2ksy s THR 67 Cb -0.10 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 2ksy s THR 67 CO 0.24 0.43 -0.17 0.68 -0.69 0.00 0.00 174.62 175.11 2ksy s VAL 68 N -0.89 1.39 -0.27 3.82 -7.23 -0.63 -4.86 120.40 111.73 2ksy s VAL 68 Ca 0.14 -1.13 -0.05 0.00 -1.81 0.00 0.00 61.98 59.13 2ksy s VAL 68 Cb -0.11 -1.24 0.01 0.00 0.56 0.00 0.00 36.38 35.61 2ksy s VAL 68 CO 0.05 0.08 0.02 -0.36 -0.31 0.00 0.00 175.10 174.58 2ksy s PHE 69 N -0.86 3.10 -0.01 2.82 0.08 -1.26 -0.92 117.98 120.94 2ksy s PHE 69 Ca 0.04 -1.14 -0.25 0.00 0.12 0.00 0.00 56.93 55.71 2ksy s PHE 69 Cb -0.08 -2.18 -0.19 0.00 -0.57 0.00 0.00 43.02 40.00 2ksy s PHE 69 CO 0.02 -0.61 1.28 0.28 -0.10 0.00 0.00 175.22 176.09 2ksy h VAL 70 N 5.92 1.18 0.00 -0.44 2.07 -1.81 -2.97 116.25 120.21 2ksy h VAL 70 Ca -0.33 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.27 2ksy h VAL 70 Cb 1.13 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2ksy h VAL 70 CO 0.59 0.23 0.26 1.55 0.02 0.00 0.00 177.57 180.21 2ksy h PRO 71 N -0.51 0.00 0.10 1.57 0.13 -1.91 -0.67 132.00 130.70 2ksy h PRO 71 Ca -0.01 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2ksy h PRO 71 Cb 0.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.57 2ksy h PRO 71 CO 0.02 0.00 -0.05 -0.09 -0.23 0.00 0.00 178.00 177.65 2ksy h ARG 72 N 0.00 -0.13 -0.48 0.86 2.43 -1.86 -0.97 114.38 114.24 2ksy h ARG 72 Ca 0.00 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 2ksy h ARG 72 Cb 0.51 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2ksy h ARG 72 CO 0.00 0.38 0.01 1.88 -1.51 0.00 0.00 179.97 180.73 2ksy h TYR 73 N -0.88 0.83 -0.25 2.20 0.05 -1.24 -2.40 116.97 115.28 2ksy h TYR 73 Ca -0.01 -0.11 -0.15 0.00 0.05 0.00 0.00 58.73 58.51 2ksy h TYR 73 Cb 0.56 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 2ksy h TYR 73 CO 0.12 0.76 -0.44 0.97 -1.05 0.00 0.00 178.16 178.52 2ksy h ILE 74 N 0.74 1.30 -0.94 -2.88 -0.00 -1.26 -2.49 117.51 111.98 2ksy h ILE 74 Ca 0.15 -1.63 0.08 0.00 -0.00 0.00 0.00 64.86 63.46 2ksy h ILE 74 Cb 0.43 1.58 -0.07 0.00 -0.00 0.00 0.00 36.82 38.77 2ksy h ILE 74 CO 0.02 0.52 0.61 -0.78 -0.00 0.00 0.00 178.15 178.51 2ksy h ASP 75 N 0.51 0.91 -0.28 2.19 3.58 -0.68 -0.74 116.42 121.91 2ksy h ASP 75 Ca 0.03 0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.36 2ksy h ASP 75 Cb 0.98 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 2ksy h ASP 75 CO 0.09 0.55 -0.37 -0.50 -2.88 0.00 0.00 179.24 176.13 2ksy h TRP 76 N 1.01 0.98 -0.07 0.28 6.55 -1.22 -1.23 115.95 122.25 2ksy h TRP 76 Ca 0.42 -0.28 0.02 0.00 0.95 0.00 0.00 58.89 60.00 2ksy h TRP 76 Cb 0.30 -0.21 -0.00 0.00 -0.86 0.00 0.00 29.16 28.39 2ksy h TRP 76 CO -0.00 1.06 0.06 0.82 -1.05 0.00 0.00 178.44 179.33 2ksy h ILE 77 N 0.68 0.84 0.00 1.49 2.04 -0.71 0.31 117.51 122.16 2ksy h ILE 77 Ca 0.06 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.71 2ksy h ILE 77 Cb 0.93 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 2ksy h ILE 77 CO 0.09 0.00 -1.62 0.18 0.00 0.00 0.00 178.15 176.79 2ksy n LEU 78 N -4.33 0.72 -0.10 1.44 4.77 -0.85 -4.41 117.00 114.23 2ksy n LEU 78 Ca -0.01 0.32 -0.20 0.00 -0.03 0.00 0.00 56.01 56.09 2ksy n LEU 78 Cb 0.16 0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 41.30 2ksy n LEU 78 CO 0.33 0.23 -0.69 0.35 -1.33 0.00 0.00 177.39 176.28 2ksy n THR 79 N -2.87 1.51 -0.14 -5.08 -2.24 -0.49 -4.06 114.28 100.92 2ksy n THR 79 Ca -0.14 -0.05 -0.08 0.00 -2.27 0.00 0.00 64.05 61.52 2ksy n THR 79 Cb 0.91 -2.09 -0.02 0.00 -2.10 0.00 0.00 70.33 67.03 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 0.17 0.00 4.28 2.02 -0.65 0.32 112.91 118.05 2ksy h THR 80 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.84 2ksy h THR 80 Cb 1.21 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 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 -0.26 0.00 0.02 6.66 0.13 -1.77 -1.38 132.00 135.40 2ksy h PRO 81 Ca 0.17 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.08 2ksy h PRO 81 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 2ksy h PRO 81 CO -0.58 0.00 -0.96 1.25 -0.23 0.00 0.00 178.00 177.48 2ksy h LEU 82 N 0.00 0.33 0.11 1.56 5.85 -0.57 -1.95 115.31 120.65 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 0.20 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2ksy h LEU 82 CO 0.00 1.11 -0.05 0.40 -0.34 0.00 0.00 178.44 179.56 2ksy h ILE 83 N 0.12 1.09 -0.05 4.05 1.08 -0.03 -2.03 117.51 121.75 2ksy h ILE 83 Ca -0.06 -1.04 -0.01 0.00 -0.39 0.00 0.00 64.86 63.36 2ksy h ILE 83 Cb 1.61 1.72 -0.00 0.00 -3.07 0.00 0.00 36.82 37.08 2ksy h ILE 83 CO 0.15 0.24 -0.00 -0.37 -0.69 0.00 0.00 178.15 177.48 2ksy h VAL 84 N -0.66 1.03 -0.39 1.67 -1.51 -1.57 0.26 116.25 115.08 2ksy h VAL 84 Ca -0.02 -0.13 -0.07 0.00 -1.23 0.00 0.00 66.70 65.26 2ksy h VAL 84 Cb 0.51 1.00 -0.02 0.00 -2.13 0.00 0.00 31.29 30.65 2ksy h VAL 84 CO 0.03 0.04 -0.06 0.22 -1.23 0.00 0.00 177.57 176.57 2ksy h TYR 85 N 0.06 0.69 0.01 5.19 3.20 -1.22 -1.12 116.97 123.78 2ksy h TYR 85 Ca 0.02 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.79 2ksy h TYR 85 Cb 0.05 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.13 2ksy h TYR 85 CO 0.00 0.69 -0.01 0.35 -1.64 0.00 0.00 178.16 177.56 2ksy h PHE 86 N 0.61 -0.02 -0.16 -3.82 3.04 -0.19 -0.98 116.94 115.42 2ksy h PHE 86 Ca 0.12 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.04 2ksy h PHE 86 Cb 0.47 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.97 2ksy h PHE 86 CO 0.02 0.05 -0.01 -0.07 -2.02 0.00 0.00 178.31 176.27 2ksy h LEU 87 N -0.07 0.21 -1.23 0.59 4.07 -1.25 -0.94 115.31 116.67 2ksy h LEU 87 Ca -0.00 -0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.86 2ksy h LEU 87 Cb 0.07 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 2ksy h LEU 87 CO 0.00 0.26 -0.34 1.23 -1.08 0.00 0.00 178.44 178.51 2ksy h GLY 88 N 0.50 0.00 1.40 0.83 0.00 -0.54 -2.78 103.07 102.48 2ksy h GLY 88 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.18 2ksy h GLY 88 CO 0.00 0.00 -0.78 1.41 0.00 0.00 0.00 176.54 177.18 2ksy h LEU 89 N 0.00 0.70 -0.54 3.11 3.38 0.15 0.88 115.31 122.99 2ksy h LEU 89 Ca -0.00 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 2ksy h LEU 89 Cb 0.71 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2ksy h LEU 89 CO 0.04 1.24 0.15 -0.07 0.09 0.00 0.00 178.44 179.90 2ksy h LEU 90 N 0.39 0.80 0.00 1.67 3.38 -1.25 -3.31 115.31 117.00 2ksy h LEU 90 Ca -0.05 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2ksy h LEU 90 Cb 1.38 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2ksy h LEU 90 CO 0.15 0.81 -0.01 0.00 0.09 0.00 0.00 178.44 179.48 2ksy h ALA 91 N 1.02 0.00 -0.69 1.53 0.00 -1.53 -3.44 119.26 116.15 2ksy h ALA 91 Ca 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2ksy h ALA 91 Cb 0.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2ksy h ALA 91 CO -0.00 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2ksy n GLY 92 N 1.69 0.64 0.41 0.00 0.00 0.30 -4.51 105.19 103.72 2ksy n GLY 92 Ca -0.05 -0.63 -0.03 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.26 0.00 0.00 0.99 4.32 -1.23 -5.07 117.00 115.75 2ksy n LEU 93 Ca 0.00 -0.14 -0.07 0.00 -0.02 0.00 0.00 56.01 55.78 2ksy n LEU 93 Cb 0.12 -0.12 0.03 0.00 -1.62 0.00 0.00 43.42 41.83 2ksy n LEU 93 CO 0.00 -1.07 0.16 0.47 -1.22 0.00 0.00 177.39 175.73 2ksy n ASP 94 N -3.20 0.62 0.04 -1.43 9.92 -1.26 -4.90 116.55 116.34 2ksy n ASP 94 Ca 0.02 -1.48 -0.13 0.00 -0.53 0.00 0.00 54.79 52.67 2ksy n ASP 94 Cb 0.07 -0.19 -0.09 0.00 -0.64 0.00 0.00 41.12 40.27 2ksy n ASP 94 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2ksy h SER 95 N -0.08 -0.09 -0.14 -2.24 0.87 -2.00 -2.24 113.55 107.63 2ksy h SER 95 Ca -0.11 -0.33 -0.23 0.00 -1.23 0.00 0.00 61.79 59.90 2ksy h SER 95 Cb 0.43 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2ksy h SER 95 CO 0.13 0.29 -0.81 0.03 -0.53 0.00 0.00 176.83 175.94 2ksy h ARG 96 N -0.48 0.79 -0.43 2.24 2.47 -2.00 -3.21 114.38 113.75 2ksy h ARG 96 Ca -0.01 -0.67 0.06 0.00 -1.26 0.00 0.00 59.98 58.10 2ksy h ARG 96 Cb 0.41 0.14 -0.05 0.00 -1.65 0.00 0.00 29.97 28.82 2ksy h ARG 96 CO 0.02 1.27 0.13 0.93 0.56 0.00 0.00 179.97 182.87 2ksy h GLU 97 N 0.52 0.27 -0.56 0.04 3.07 -1.95 -1.72 114.58 114.26 2ksy h GLU 97 Ca -0.06 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.83 2ksy h GLU 97 Cb 1.44 -0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 29.24 2ksy h GLU 97 CO 0.17 0.18 0.29 0.74 -1.40 0.00 0.00 179.01 178.99 2ksy h PHE 98 N 0.28 0.54 -0.02 4.33 0.04 -1.46 -1.47 116.94 119.17 2ksy h PHE 98 Ca 0.21 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.97 2ksy h PHE 98 Cb 0.22 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.21 2ksy h PHE 98 CO -0.17 0.26 -0.12 0.78 -0.60 0.00 0.00 178.31 178.46 2ksy h GLY 99 N 0.56 0.03 0.91 -1.45 0.00 -1.40 -2.16 103.07 99.56 2ksy h GLY 99 Ca 0.25 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.51 2ksy h GLY 99 CO -0.16 0.02 0.03 -2.22 0.00 0.00 0.00 176.54 174.20 2ksy h ILE 100 N 0.03 1.25 -0.28 2.60 2.04 -0.41 -1.31 117.51 121.43 2ksy h ILE 100 Ca 0.01 -0.89 -0.09 0.00 1.00 0.00 0.00 64.86 64.89 2ksy h ILE 100 Cb 0.24 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 2ksy h ILE 100 CO 0.02 0.30 -0.16 0.58 0.00 0.00 0.00 178.15 178.88 2ksy h VAL 101 N 0.40 1.30 0.10 1.67 2.07 -1.18 -2.13 116.25 118.48 2ksy h VAL 101 Ca 0.10 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 2ksy h VAL 101 Cb 0.40 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2ksy h VAL 101 CO 0.01 0.40 -0.05 0.40 0.02 0.00 0.00 177.57 178.35 2ksy h ILE 102 N 0.35 0.94 0.00 4.57 1.08 -1.38 -2.34 117.51 120.72 2ksy h ILE 102 Ca 0.06 -0.16 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 2ksy h ILE 102 Cb 0.69 1.04 -0.00 0.00 -3.07 0.00 0.00 36.82 35.48 2ksy h ILE 102 CO 0.05 0.04 -0.06 0.00 -0.69 0.00 0.00 178.15 177.48 2ksy h THR 103 N -0.21 0.95 0.25 -0.27 1.03 -1.28 -2.22 112.91 111.14 2ksy h THR 103 Ca -0.01 -0.22 -0.01 0.00 -0.01 0.00 0.00 66.41 66.16 2ksy h THR 103 Cb 0.17 1.12 -0.00 0.00 -1.07 0.00 0.00 68.15 68.37 2ksy h THR 103 CO 0.02 0.06 -0.13 0.25 -0.01 0.00 0.00 175.52 175.71 2ksy h LEU 104 N 0.00 -0.33 -1.87 0.00 7.12 -0.85 -2.06 115.31 117.33 2ksy h LEU 104 Ca -0.00 0.02 -0.03 0.00 0.13 0.00 0.00 57.88 58.00 2ksy h LEU 104 Cb 0.11 0.09 -0.00 0.00 -0.53 0.00 0.00 40.66 40.33 2ksy h LEU 104 CO 0.01 -0.22 -0.13 0.78 -0.13 0.00 0.00 178.44 178.74 2ksy h ASN 105 N -0.36 0.00 0.55 1.25 -0.26 -1.11 -2.60 115.58 113.05 2ksy h ASN 105 Ca -0.03 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.68 2ksy h ASN 105 Cb 0.29 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.55 2ksy h ASN 105 CO 0.04 0.13 -0.26 0.74 -1.06 0.00 0.00 177.43 177.02 2ksy h THR 106 N 0.00 0.38 -0.56 2.81 2.02 -0.81 0.07 112.91 116.83 2ksy h THR 106 Ca -0.00 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 2ksy h THR 106 Cb 0.32 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 2ksy h THR 106 CO 0.02 0.04 0.23 1.62 0.37 0.00 0.00 175.52 177.80 2ksy h VAL 107 N -0.93 1.20 0.32 3.16 3.04 -1.35 -0.94 116.25 120.75 2ksy h VAL 107 Ca -0.08 -0.61 -0.02 0.00 -1.01 0.00 0.00 66.70 64.99 2ksy h VAL 107 Cb 0.63 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 2ksy h VAL 107 CO 0.12 0.24 -0.16 0.58 -1.01 0.00 0.00 177.57 177.35 2ksy h VAL 108 N 0.79 0.68 -0.65 1.51 2.07 -1.42 -1.83 116.25 117.40 2ksy h VAL 108 Ca 0.19 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.24 2ksy h VAL 108 Cb 0.15 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2ksy h VAL 108 CO -0.02 0.10 0.43 -0.03 0.02 0.00 0.00 177.57 178.07 2ksy h MET 109 N -0.72 0.82 -0.18 1.57 4.05 -0.87 -0.98 114.93 118.62 2ksy h MET 109 Ca -0.04 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.25 2ksy h MET 109 Cb 0.49 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 2ksy h MET 109 CO 0.07 0.54 -0.24 1.25 0.23 0.00 0.00 176.91 178.76 2ksy h LEU 110 N 0.84 0.31 0.39 3.39 5.85 -1.10 -2.55 115.31 122.44 2ksy h LEU 110 Ca 0.25 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2ksy h LEU 110 Cb -0.04 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.91 2ksy h LEU 110 CO -0.06 0.56 -0.19 0.00 -0.34 0.00 0.00 178.44 178.42 2ksy h ALA 111 N 1.47 -0.52 -0.77 1.25 0.00 -0.30 -2.72 119.26 117.67 2ksy h ALA 111 Ca 0.05 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.89 2ksy h ALA 111 Cb 0.58 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 2ksy h ALA 111 CO 0.04 -0.74 0.50 0.78 0.00 0.00 0.00 179.25 179.83 2ksy h GLY 112 N -0.62 1.01 0.27 0.00 0.00 -1.40 0.03 103.07 102.36 2ksy h GLY 112 Ca -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 2ksy h GLY 112 CO 0.09 0.20 -0.33 -2.75 0.00 0.00 0.00 176.54 173.75 2ksy h PHE 113 N 0.75 -0.92 0.00 5.60 3.04 -1.20 -2.15 116.94 122.06 2ksy h PHE 113 Ca 0.34 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.28 2ksy h PHE 113 Cb 0.35 0.37 -0.00 0.00 2.56 0.00 0.00 35.95 39.23 2ksy h PHE 113 CO -0.00 -0.42 -0.09 0.00 -2.02 0.00 0.00 178.31 175.77 2ksy h ALA 114 N -1.14 1.67 -0.21 2.41 0.00 -1.26 -2.91 119.26 117.83 2ksy h ALA 114 Ca -0.03 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2ksy h ALA 114 Cb 0.54 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 2ksy h ALA 114 CO -0.07 0.12 -0.22 0.78 0.00 0.00 0.00 179.25 179.85 2ksy h GLY 115 N 0.36 -0.15 2.00 0.00 0.00 -0.33 -0.76 103.07 104.19 2ksy h GLY 115 Ca -0.00 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2ksy h GLY 115 CO 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 176.54 176.36 2ksy h ALA 116 N 0.80 1.00 -0.41 3.60 0.00 -1.34 -3.14 119.26 119.77 2ksy h ALA 116 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2ksy h ALA 116 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2ksy h ALA 116 CO -0.35 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.57 2ksy n MET 117 N -2.31 3.63 -3.05 0.00 2.00 -0.34 -4.91 117.12 112.14 2ksy n MET 117 Ca 0.05 -2.18 -0.35 0.00 0.00 0.00 0.00 57.70 55.22 2ksy n MET 117 Cb 0.39 -2.00 -0.06 0.00 0.00 0.00 0.00 33.22 31.56 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 -2.17 4.55 -2.32 2.03 -7.23 -0.89 -4.97 120.40 109.39 2ksy s VAL 118 Ca 0.38 1.26 0.25 0.00 -1.81 0.00 0.00 61.98 62.06 2ksy s VAL 118 Cb 0.28 -3.77 0.56 0.00 0.56 0.00 0.00 36.38 34.01 2ksy s VAL 118 CO 0.12 0.03 1.73 -0.81 -0.31 0.00 0.00 175.10 175.85 2ksy n PRO 119 N 0.23 1.56 0.00 4.82 -0.04 -1.26 -4.94 135.00 135.37 2ksy n PRO 119 Ca 0.01 -0.82 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 2ksy n PRO 119 Cb 0.52 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 1.11 4.05 0.57 0.55 0.00 -1.26 -5.01 105.19 105.20 2ksy n GLY 120 Ca 0.18 -0.28 0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 0.37 0.29 -0.61 -5.35 -1.26 -4.11 119.36 108.70 2ksy n ILE 121 Ca 0.00 -0.40 0.20 0.00 -0.27 0.00 0.00 62.75 62.28 2ksy n ILE 121 Cb 0.00 0.23 1.05 0.00 -1.74 0.00 0.00 39.64 39.18 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 1.89 0.00 -0.87 6.28 5.08 -1.93 -2.48 114.58 122.54 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 0.43 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 2ksy h GLU 122 CO 0.00 0.00 0.59 0.07 -1.00 0.00 0.00 179.01 178.67 2ksy h ARG 123 N 0.00 0.30 -0.18 2.33 0.11 -1.72 0.11 114.38 115.33 2ksy h ARG 123 Ca 0.00 -0.02 -0.06 0.00 0.10 0.00 0.00 59.98 60.00 2ksy h ARG 123 Cb 0.00 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.00 2ksy h ARG 123 CO 0.00 0.20 -0.15 1.88 0.10 0.00 0.00 179.97 182.00 2ksy h TYR 124 N 0.31 0.32 0.17 4.08 0.05 -1.77 -2.77 116.97 117.37 2ksy h TYR 124 Ca 0.45 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 59.18 2ksy h TYR 124 Cb 1.24 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.89 2ksy h TYR 124 CO -0.00 0.45 -0.08 0.00 -1.05 0.00 0.00 178.16 177.48 2ksy h ALA 125 N 1.57 -0.23 -0.29 3.88 0.00 -0.98 0.22 119.26 123.43 2ksy h ALA 125 Ca 0.05 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.83 2ksy h ALA 125 Cb 0.44 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 2ksy h ALA 125 CO 0.03 -0.41 -0.31 -0.07 0.00 0.00 0.00 179.25 178.49 2ksy h LEU 126 N -0.66 -0.99 -1.14 0.00 -0.00 -1.45 -0.25 115.31 110.82 2ksy h LEU 126 Ca -0.02 0.17 -0.09 0.00 -0.00 0.00 0.00 57.88 57.94 2ksy h LEU 126 Cb 0.48 0.45 -0.01 0.00 -0.00 0.00 0.00 40.66 41.58 2ksy h LEU 126 CO 0.04 -0.32 -0.34 0.15 -0.00 0.00 0.00 178.44 177.97 2ksy h PHE 127 N -0.29 0.18 -0.73 1.13 3.57 -1.56 -2.66 116.94 116.58 2ksy h PHE 127 Ca 0.14 -0.04 0.16 0.00 3.53 0.00 0.00 57.97 61.77 2ksy h PHE 127 Cb 0.52 -0.04 -0.13 0.00 2.79 0.00 0.00 35.95 39.09 2ksy h PHE 127 CO -0.47 0.48 -0.05 0.78 -2.23 0.00 0.00 178.31 176.83 2ksy h GLY 128 N 1.09 0.74 0.76 2.40 0.00 0.91 0.71 103.07 109.67 2ksy h GLY 128 Ca 0.02 0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.42 2ksy h GLY 128 CO 0.05 -0.28 -0.19 1.98 0.00 0.00 0.00 176.54 178.10 2ksy h MET 129 N 0.07 0.39 -0.25 4.80 1.85 -1.33 -2.92 114.93 117.54 2ksy h MET 129 Ca 0.39 -0.22 0.07 0.00 -0.61 0.00 0.00 59.70 59.33 2ksy h MET 129 Cb 0.66 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.69 2ksy h MET 129 CO -0.68 0.80 0.19 0.78 -0.40 0.00 0.00 176.91 177.60 2ksy h GLY 130 N 0.01 0.00 0.25 1.39 0.00 -0.59 0.11 103.07 104.23 2ksy h GLY 130 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 2ksy h GLY 130 CO 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.54 2ksy h ALA 131 N 1.86 -0.12 -0.82 3.60 0.00 0.37 0.14 119.26 124.29 2ksy h ALA 131 Ca 0.12 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.82 2ksy h ALA 131 Cb 0.49 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 2ksy h ALA 131 CO -0.00 -0.19 0.51 0.28 0.00 0.00 0.00 179.25 179.85 2ksy h VAL 132 N -0.88 1.07 -0.15 0.00 2.07 -1.29 -1.12 116.25 115.95 2ksy h VAL 132 Ca -0.01 -0.33 -0.11 0.00 0.82 0.00 0.00 66.70 67.07 2ksy h VAL 132 Cb 0.57 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2ksy h VAL 132 CO 0.02 0.17 -0.39 0.00 0.02 0.00 0.00 177.57 177.39 2ksy h ALA 133 N 1.38 1.05 0.28 1.67 0.00 -0.85 -2.70 119.26 120.08 2ksy h ALA 133 Ca 0.35 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ksy h ALA 133 Cb 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2ksy h ALA 133 CO -0.15 0.60 -0.40 0.35 0.00 0.00 0.00 179.25 179.65 2ksy h PHE 134 N 0.29 -1.11 -0.52 0.00 3.57 0.58 -0.46 116.94 119.29 2ksy h PHE 134 Ca 0.03 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.62 2ksy h PHE 134 Cb 0.82 0.45 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 2ksy h PHE 134 CO 0.02 -0.53 0.35 0.82 -2.23 0.00 0.00 178.31 176.74 2ksy h ILE 135 N -0.74 0.93 -0.96 1.41 2.04 -1.44 -0.32 117.51 118.43 2ksy h ILE 135 Ca -0.01 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.74 2ksy h ILE 135 Cb 0.70 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 2ksy h ILE 135 CO -0.14 0.07 0.63 1.23 0.00 0.00 0.00 178.15 179.95 2ksy h GLY 136 N 0.39 1.37 0.57 5.37 0.00 -0.79 0.20 103.07 110.18 2ksy h GLY 136 Ca 0.23 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 2ksy h GLY 136 CO -0.06 0.45 -0.15 -2.00 0.00 0.00 0.00 176.54 174.78 2ksy h LEU 137 N 1.25 -0.35 -1.79 3.11 5.85 0.15 -2.24 115.31 121.29 2ksy h LEU 137 Ca 0.37 -0.19 0.11 0.00 0.84 0.00 0.00 57.88 59.01 2ksy h LEU 137 Cb -0.06 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 2ksy h LEU 137 CO -0.10 0.07 0.37 -0.37 -0.34 0.00 0.00 178.44 178.07 2ksy h VAL 138 N -0.85 0.84 -0.51 1.05 -1.51 -1.29 0.29 116.25 114.26 2ksy h VAL 138 Ca -0.04 -0.08 -0.06 0.00 -1.23 0.00 0.00 66.70 65.29 2ksy h VAL 138 Cb 0.52 0.59 -0.02 0.00 -2.13 0.00 0.00 31.29 30.25 2ksy h VAL 138 CO 0.07 0.04 0.08 0.22 -1.23 0.00 0.00 177.57 176.75 2ksy h TYR 139 N 0.23 0.84 0.22 5.19 3.20 -0.46 -1.83 116.97 124.35 2ksy h TYR 139 Ca 0.25 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 2ksy h TYR 139 Cb 0.70 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.73 2ksy h TYR 139 CO -0.00 0.73 -0.11 1.88 -1.64 0.00 0.00 178.16 179.02 2ksy h TYR 140 N 0.77 -0.28 0.00 -3.82 0.05 0.18 0.27 116.97 114.14 2ksy h TYR 140 Ca 0.16 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.94 2ksy h TYR 140 Cb 0.35 0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.18 2ksy h TYR 140 CO 0.02 0.04 0.00 1.37 -1.05 0.00 0.00 178.16 178.54 2ksy h LEU 141 N -0.61 0.00 0.00 3.88 8.10 -1.35 -0.92 115.31 124.41 2ksy h LEU 141 Ca -0.03 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.87 2ksy h LEU 141 Cb 0.44 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.64 2ksy h LEU 141 CO 0.05 0.00 -1.64 0.52 -4.11 0.00 0.00 178.44 173.26 2ksy n VAL 142 N -2.63 0.64 0.00 0.15 0.31 -0.70 -3.33 118.33 112.78 2ksy n VAL 142 Ca -0.01 -0.61 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 2ksy n VAL 142 Cb 0.14 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 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 1.34 -0.30 0.26 2.92 0.00 0.93 -4.63 105.19 105.71 2ksy n GLY 143 Ca -0.08 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 0.08 1.61 0.13 -1.86 -3.26 132.00 128.70 2ksy h PRO 144 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 2ksy h PRO 144 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2ksy h PRO 144 CO 0.00 0.12 -0.43 0.52 -0.23 0.00 0.00 178.00 177.98 2ksy h MET 145 N 0.00 -0.61 -0.18 0.86 2.86 -1.81 0.12 114.93 116.16 2ksy h MET 145 Ca -0.00 0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 2ksy h MET 145 Cb 0.47 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 2ksy h MET 145 CO 0.02 -0.41 -0.03 0.00 1.06 0.00 0.00 176.91 177.55 2ksy h THR 146 N -0.63 1.14 -0.13 2.22 1.03 -1.59 -2.29 112.91 112.65 2ksy h THR 146 Ca 0.03 -0.54 -0.14 0.00 -0.01 0.00 0.00 66.41 65.75 2ksy h THR 146 Cb 0.68 1.03 -0.01 0.00 -1.07 0.00 0.00 68.15 68.78 2ksy h THR 146 CO -0.27 0.18 -0.51 -0.33 -0.01 0.00 0.00 175.52 174.58 2ksy h GLU 147 N 0.26 0.36 -0.00 0.00 5.08 -1.45 -1.73 114.58 117.10 2ksy h GLU 147 Ca 0.06 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2ksy h GLU 147 Cb 0.23 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2ksy h GLU 147 CO 0.01 0.78 -0.01 0.77 -1.00 0.00 0.00 179.01 179.56 2ksy h SER 148 N 0.28 0.01 -0.30 1.42 0.02 -0.26 -3.22 113.55 111.51 2ksy h SER 148 Ca 0.01 -0.53 -0.05 0.00 -0.84 0.00 0.00 61.79 60.38 2ksy h SER 148 Cb 0.99 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 2ksy h SER 148 CO 0.08 0.54 0.02 0.00 -1.14 0.00 0.00 176.83 176.34 2ksy h ALA 149 N 0.48 1.31 0.00 3.77 0.00 -1.47 -1.72 119.26 121.62 2ksy h ALA 149 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2ksy h ALA 149 Cb 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2ksy h ALA 149 CO 0.00 0.47 0.00 -1.13 0.00 0.00 0.00 179.25 178.59 2ksy n SER 150 N -4.27 0.00 -0.20 0.00 3.41 -0.65 -1.57 113.62 110.34 2ksy n SER 150 Ca 0.02 0.11 0.03 0.00 -0.26 0.00 0.00 58.87 58.77 2ksy n SER 150 Cb 0.25 -0.28 0.02 0.00 -0.26 0.00 0.00 64.21 63.94 2ksy n SER 150 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ksy n GLN 151 N -1.28 0.43 -0.07 4.33 6.02 -0.67 -4.68 117.38 121.46 2ksy n GLN 151 Ca 0.06 -0.74 -0.12 0.00 -0.01 0.00 0.00 57.00 56.18 2ksy n GLN 151 Cb 0.09 -1.06 -0.11 0.00 1.02 0.00 0.00 30.24 30.18 2ksy n GLN 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ksy h ARG 152 N 0.98 0.00 -3.16 -1.09 2.47 -1.09 -3.50 114.38 108.99 2ksy h ARG 152 Ca 0.00 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.73 2ksy h ARG 152 Cb 0.22 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.50 2ksy h ARG 152 CO 0.00 0.84 0.16 0.45 0.56 0.00 0.00 179.97 181.98 2ksy s SER 153 N -6.17 -0.12 0.11 7.04 0.15 -1.24 -5.01 113.70 108.47 2ksy s SER 153 Ca -0.17 -0.83 -0.12 0.00 0.70 0.00 0.00 55.95 55.53 2ksy s SER 153 Cb -0.02 0.73 -0.10 0.00 -1.71 0.00 0.00 66.02 64.92 2ksy s SER 153 CO 0.57 -1.39 1.38 0.28 1.20 0.00 0.00 173.24 175.28 2ksy h SER 154 N 2.05 0.94 0.68 5.45 0.02 -1.91 -3.13 113.55 117.65 2ksy h SER 154 Ca -0.24 -0.55 -0.20 0.00 -0.84 0.00 0.00 61.79 59.97 2ksy h SER 154 Cb 1.25 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 2ksy h SER 154 CO 0.30 1.31 -0.90 1.23 -1.14 0.00 0.00 176.83 177.64 2ksy h GLY 155 N 0.60 0.15 1.19 -3.77 0.00 -1.96 -3.24 103.07 96.04 2ksy h GLY 155 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.06 2ksy h GLY 155 CO 0.12 0.25 0.54 -2.22 0.00 0.00 0.00 176.54 175.23 2ksy h ILE 156 N 0.07 1.21 0.06 2.60 1.08 -1.85 -0.45 117.51 120.24 2ksy h ILE 156 Ca -0.04 -0.40 -0.00 0.00 -0.39 0.00 0.00 64.86 64.03 2ksy h ILE 156 Cb 1.55 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 2ksy h ILE 156 CO 0.13 0.21 -0.03 0.50 -0.69 0.00 0.00 178.15 178.27 2ksy h LYS 157 N 1.12 -0.08 -0.79 2.37 3.64 -1.58 -0.81 116.57 120.44 2ksy h LYS 157 Ca 0.30 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.65 2ksy h LYS 157 Cb -0.12 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 2ksy h LYS 157 CO -0.06 0.26 0.35 1.03 -2.27 0.00 0.00 179.45 178.76 2ksy h SER 158 N -0.42 1.06 0.26 4.20 0.87 -1.55 -0.98 113.55 116.99 2ksy h SER 158 Ca -0.01 -0.14 -0.14 0.00 -1.23 0.00 0.00 61.79 60.27 2ksy h SER 158 Cb 0.37 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 2ksy h SER 158 CO 0.01 0.91 -0.55 0.25 -0.53 0.00 0.00 176.83 176.93 2ksy h LEU 159 N 1.14 0.34 -0.05 2.23 5.85 -1.07 -2.81 115.31 120.93 2ksy h LEU 159 Ca 0.27 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 2ksy h LEU 159 Cb 0.16 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2ksy h LEU 159 CO -0.03 0.82 -0.24 0.22 -0.34 0.00 0.00 178.44 178.87 2ksy h TYR 160 N 0.24 0.35 -0.50 1.25 5.03 -0.78 -2.53 116.97 120.03 2ksy h TYR 160 Ca 0.00 -0.15 0.03 0.00 2.58 0.00 0.00 58.73 61.19 2ksy h TYR 160 Cb 1.04 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 39.23 2ksy h TYR 160 CO 0.02 0.87 0.29 -0.39 -1.32 0.00 0.00 178.16 177.64 2ksy h VAL 161 N -0.27 1.04 -0.67 1.81 -1.51 -1.22 0.11 116.25 115.53 2ksy h VAL 161 Ca -0.01 -0.20 -0.08 0.00 -1.23 0.00 0.00 66.70 65.18 2ksy h VAL 161 Cb 0.89 0.40 -0.03 0.00 -2.13 0.00 0.00 31.29 30.43 2ksy h VAL 161 CO 0.05 0.11 0.11 0.03 -1.23 0.00 0.00 177.57 176.64 2ksy h ARG 162 N 0.58 1.10 -0.11 5.19 2.47 -1.57 -0.81 114.38 121.22 2ksy h ARG 162 Ca 0.21 -0.29 -0.05 0.00 -1.26 0.00 0.00 59.98 58.58 2ksy h ARG 162 Cb 0.04 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.22 2ksy h ARG 162 CO -0.10 1.00 -0.14 -0.07 0.56 0.00 0.00 179.97 181.22 2ksy h LEU 163 N 1.03 0.32 -0.07 3.04 4.07 -1.02 -2.64 115.31 120.04 2ksy h LEU 163 Ca 0.20 -0.50 -0.04 0.00 0.08 0.00 0.00 57.88 57.62 2ksy h LEU 163 Cb 0.43 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.08 2ksy h LEU 163 CO 0.01 0.76 -0.12 0.08 -1.08 0.00 0.00 178.44 178.09 2ksy h ARG 164 N -0.11 0.21 -0.18 1.13 -0.00 -0.78 -1.48 114.38 113.16 2ksy h ARG 164 Ca 0.02 -0.13 0.03 0.00 -0.00 0.00 0.00 59.98 59.89 2ksy h ARG 164 Cb 0.68 0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 30.63 2ksy h ARG 164 CO 0.03 0.70 0.02 -0.91 -0.00 0.00 0.00 179.97 179.81 2ksy h ASN 165 N -0.26 -0.02 0.20 0.08 2.35 -1.26 -0.46 115.58 116.21 2ksy h ASN 165 Ca 0.01 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2ksy h ASN 165 Cb 0.68 0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.10 2ksy h ASN 165 CO 0.03 0.02 -0.09 0.25 -1.65 0.00 0.00 177.43 175.98 2ksy h LEU 166 N 0.09 -0.22 0.09 1.61 6.46 -1.53 -2.75 115.31 119.06 2ksy h LEU 166 Ca 0.08 -0.13 0.02 0.00 -0.12 0.00 0.00 57.88 57.73 2ksy h LEU 166 Cb 0.08 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 2ksy h LEU 166 CO -0.12 -0.00 -0.20 0.74 -0.62 0.00 0.00 178.44 178.24 2ksy h THR 167 N -0.44 0.55 -0.64 1.05 2.02 -1.16 -2.78 112.91 111.50 2ksy h THR 167 Ca -0.03 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.25 2ksy h THR 167 Cb 0.34 0.55 -0.07 0.00 -1.74 0.00 0.00 68.15 67.23 2ksy h THR 167 CO 0.04 0.00 0.27 0.58 0.37 0.00 0.00 175.52 176.78 2ksy h VAL 168 N -0.37 0.79 0.31 3.16 2.07 -1.13 0.17 116.25 121.26 2ksy h VAL 168 Ca 0.03 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2ksy h VAL 168 Cb 0.39 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2ksy h VAL 168 CO -0.12 0.09 -0.28 0.58 0.02 0.00 0.00 177.57 177.85 2ksy h VAL 169 N 0.47 0.00 0.00 2.57 2.07 -1.24 0.23 116.25 120.35 2ksy h VAL 169 Ca 0.32 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.81 2ksy h VAL 169 Cb 0.38 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2ksy h VAL 169 CO -0.29 0.00 -0.13 0.17 0.02 0.00 0.00 177.57 177.34 2ksy h LEU 170 N -0.59 0.00 -0.87 2.57 8.10 -1.39 -1.56 115.31 121.57 2ksy h LEU 170 Ca -0.04 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.83 2ksy h LEU 170 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.71 2ksy h LEU 170 CO -0.02 0.13 -0.47 -0.50 -4.11 0.00 0.00 178.44 173.47 2ksy h TRP 171 N 0.00 0.26 0.00 0.17 4.06 -0.36 -2.39 115.95 117.70 2ksy h TRP 171 Ca -0.00 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 60.87 2ksy h TRP 171 Cb 0.23 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.34 2ksy h TRP 171 CO 0.00 0.65 0.00 0.00 -3.56 0.00 0.00 178.44 175.53 2ksy n ALA 172 N -2.47 1.93 0.10 1.49 0.00 0.79 -2.19 120.51 120.16 2ksy n ALA 172 Ca -0.02 -0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.39 2ksy n ALA 172 Cb 0.52 -1.29 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.47 -0.40 0.00 1.08 -1.38 -3.36 117.51 113.92 2ksy h ILE 173 Ca 0.00 -1.77 0.07 0.00 -0.39 0.00 0.00 64.86 62.77 2ksy h ILE 173 Cb 0.19 2.06 -0.06 0.00 -3.07 0.00 0.00 36.82 35.95 2ksy h ILE 173 CO 0.00 0.27 0.03 1.88 -0.69 0.00 0.00 178.15 179.64 2ksy h TYR 174 N 0.00 0.04 -1.37 1.37 0.05 -1.54 -0.91 116.97 114.61 2ksy h TYR 174 Ca -0.06 0.03 0.41 0.00 0.05 0.00 0.00 58.73 59.16 2ksy h TYR 174 Cb 1.34 0.04 -0.09 0.00 1.01 0.00 0.00 36.73 39.03 2ksy h TYR 174 CO 0.00 -0.04 0.94 -1.35 -1.05 0.00 0.00 178.16 176.65 2ksy h PRO 175 N 0.15 0.10 0.00 4.88 0.11 -1.77 0.16 132.00 135.63 2ksy h PRO 175 Ca 0.20 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 2ksy h PRO 175 Cb 0.27 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 2ksy h PRO 175 CO -0.30 0.06 -0.08 0.74 -0.21 0.00 0.00 178.00 178.21 2ksy h PHE 176 N 0.10 0.00 -0.07 0.65 0.04 -1.42 -3.14 116.94 113.10 2ksy h PHE 176 Ca 0.73 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.46 2ksy h PHE 176 Cb 2.54 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.68 2ksy h PHE 176 CO -0.00 1.00 -0.15 0.82 -0.60 0.00 0.00 178.31 179.38 2ksy h ILE 177 N -1.00 1.15 -0.06 -0.55 1.08 -0.54 0.21 117.51 117.79 2ksy h ILE 177 Ca -0.02 -0.67 -0.10 0.00 -0.39 0.00 0.00 64.86 63.68 2ksy h ILE 177 Cb 0.99 1.26 0.01 0.00 -3.07 0.00 0.00 36.82 36.00 2ksy h ILE 177 CO -0.01 0.20 -0.35 -0.25 -0.69 0.00 0.00 178.15 177.05 2ksy h TRP 178 N 0.10 0.47 0.15 1.37 7.01 -0.90 -1.66 115.95 122.49 2ksy h TRP 178 Ca 0.02 -0.21 -0.01 0.00 2.11 0.00 0.00 58.89 60.80 2ksy h TRP 178 Cb 0.33 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.32 2ksy h TRP 178 CO 0.00 0.96 -0.07 1.25 -2.79 0.00 0.00 178.44 177.79 2ksy h LEU 179 N -0.16 -0.17 -0.31 0.65 5.85 -1.45 -2.84 115.31 116.87 2ksy h LEU 179 Ca -0.03 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 2ksy h LEU 179 Cb 1.01 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 2ksy h LEU 179 CO 0.07 0.40 0.15 -0.07 -0.34 0.00 0.00 178.44 178.66 2ksy h LEU 180 N -0.90 0.41 -9.68 2.25 3.38 -0.75 0.31 115.31 110.34 2ksy h LEU 180 Ca -0.02 -0.13 -0.38 0.00 0.09 0.00 0.00 57.88 57.44 2ksy h LEU 180 Cb 0.51 -0.11 0.21 0.00 0.09 0.00 0.00 40.66 41.36 2ksy h LEU 180 CO 0.03 0.42 -0.54 0.61 0.09 0.00 0.00 178.44 179.06 2ksy n GLY 181 N -0.85 -2.68 0.30 0.83 0.00 -0.62 -0.06 105.19 102.10 2ksy n GLY 181 Ca -0.02 -1.05 0.11 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.64 0.19 -1.27 1.61 0.11 -1.85 -1.12 132.00 127.02 2ksy h PRO 182 Ca -0.47 -0.01 0.38 0.00 0.11 0.00 0.00 66.00 66.00 2ksy h PRO 182 Cb 1.23 -0.04 -0.10 0.00 0.11 0.00 0.00 31.00 32.20 2ksy h PRO 182 CO 0.33 0.12 0.85 -1.35 -0.21 0.00 0.00 178.00 177.75 2ksy h PRO 183 N 0.19 0.15 0.00 1.05 0.11 -1.87 -3.37 132.00 128.27 2ksy h PRO 183 Ca 0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.61 2ksy h PRO 183 Cb 0.99 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2ksy h PRO 183 CO -0.65 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 177.65 2ksy n GLY 184 N -1.60 1.15 0.31 -0.55 0.00 -0.50 -4.72 105.19 99.28 2ksy n GLY 184 Ca 0.32 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.53 2ksy n GLY 184 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2ksy h VAL 185 N 0.00 0.19 -5.38 1.61 -1.51 -0.50 -3.48 116.25 107.18 2ksy h VAL 185 Ca 0.00 -0.17 -0.03 0.00 -1.23 0.00 0.00 66.70 65.27 2ksy h VAL 185 Cb 0.00 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 2ksy h VAL 185 CO 0.00 0.02 -0.83 0.00 -1.23 0.00 0.00 177.57 175.53 2ksy n ALA 186 N -2.16 -3.12 -0.11 5.19 0.00 -0.36 -4.98 120.51 114.97 2ksy n ALA 186 Ca -0.02 0.71 -0.24 0.00 0.00 0.00 0.00 53.44 53.88 2ksy n ALA 186 Cb 0.14 -2.09 -0.11 0.00 0.00 0.00 0.00 19.45 17.39 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 0.32 1.91 0.00 0.00 4.77 0.91 -4.90 117.00 120.02 2ksy n LEU 187 Ca 0.04 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2ksy n LEU 187 Cb 0.26 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.41 2ksy n LEU 187 CO 0.43 0.38 0.00 0.18 -1.33 0.00 0.00 177.39 177.05 2ksy n LEU 188 N -4.35 0.00 -4.89 2.23 4.77 -1.26 -5.11 117.00 108.39 2ksy n LEU 188 Ca -0.38 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.27 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 0.15 0.00 -0.02 0.28 -1.33 0.00 0.00 177.39 176.48 2ksy s THR 189 N 1.95 5.23 0.34 -5.08 -1.32 -1.26 -4.74 115.64 110.75 2ksy s THR 189 Ca 0.00 0.07 0.13 0.00 -1.21 0.00 0.00 61.69 60.68 2ksy s THR 189 Cb 0.00 -3.61 0.33 0.00 -1.51 0.00 0.00 72.50 67.71 2ksy s THR 189 CO 0.00 0.19 1.72 -0.65 -2.21 0.00 0.00 174.62 173.67 2ksy h PRO 190 N 3.34 0.47 -0.65 7.08 0.11 -1.99 0.18 132.00 140.54 2ksy h PRO 190 Ca -0.47 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.65 2ksy h PRO 190 Cb 1.18 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 2ksy h PRO 190 CO 0.70 0.31 0.38 1.79 -0.21 0.00 0.00 178.00 180.97 2ksy h THR 191 N 0.48 1.03 -0.36 -1.15 1.35 -1.95 -1.07 112.91 111.25 2ksy h THR 191 Ca 0.66 -0.25 -0.10 0.00 -0.55 0.00 0.00 66.41 66.17 2ksy h THR 191 Cb 1.41 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 2ksy h THR 191 CO -0.47 0.13 -0.16 0.58 -0.25 0.00 0.00 175.52 175.35 2ksy h VAL 192 N 0.72 1.28 -0.06 6.82 2.07 -1.38 -2.45 116.25 123.26 2ksy h VAL 192 Ca 0.27 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.53 2ksy h VAL 192 Cb 0.10 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2ksy h VAL 192 CO -0.14 0.42 -0.04 -0.78 0.02 0.00 0.00 177.57 177.05 2ksy h ASP 193 N 0.53 -0.12 -0.52 0.57 3.58 -0.99 -2.22 116.42 117.24 2ksy h ASP 193 Ca 0.08 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2ksy h ASP 193 Cb 0.70 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.79 2ksy h ASP 193 CO 0.05 -0.05 0.30 0.58 -2.88 0.00 0.00 179.24 177.24 2ksy h VAL 194 N -0.04 1.16 -0.23 2.25 2.07 -1.22 -1.12 116.25 119.12 2ksy h VAL 194 Ca 0.04 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.18 2ksy h VAL 194 Cb 0.09 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2ksy h VAL 194 CO -0.08 0.18 0.09 0.00 0.02 0.00 0.00 177.57 177.78 2ksy h ALA 195 N 1.59 0.26 -0.24 1.67 0.00 -0.91 0.19 119.26 121.82 2ksy h ALA 195 Ca 0.19 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2ksy h ALA 195 Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2ksy h ALA 195 CO -0.03 -0.32 -0.11 -0.07 0.00 0.00 0.00 179.25 178.71 2ksy h LEU 196 N 0.20 0.52 0.57 0.00 3.38 -1.10 -2.02 115.31 116.86 2ksy h LEU 196 Ca 0.10 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 2ksy h LEU 196 Cb 0.05 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2ksy h LEU 196 CO -0.09 0.81 -0.47 0.40 0.09 0.00 0.00 178.44 179.18 2ksy h ILE 197 N 0.23 0.07 -0.89 1.22 1.08 -1.00 0.28 117.51 118.50 2ksy h ILE 197 Ca 0.05 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.72 2ksy h ILE 197 Cb 0.61 0.07 -0.07 0.00 -3.07 0.00 0.00 36.82 34.37 2ksy h ILE 197 CO 0.03 0.00 0.59 0.58 -0.69 0.00 0.00 178.15 178.66 2ksy h VAL 198 N -1.02 0.69 -0.08 1.67 2.07 -0.69 0.46 116.25 119.36 2ksy h VAL 198 Ca -0.07 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.18 2ksy h VAL 198 Cb 0.86 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2ksy h VAL 198 CO -0.01 0.08 -0.49 0.22 0.02 0.00 0.00 177.57 177.39 2ksy h TYR 199 N 0.43 0.24 -0.21 1.57 3.20 -0.50 -1.85 116.97 119.84 2ksy h TYR 199 Ca 0.46 -0.07 -0.10 0.00 3.14 0.00 0.00 58.73 62.16 2ksy h TYR 199 Cb 1.12 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.34 2ksy h TYR 199 CO -0.00 0.65 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.83 2ksy h LEU 200 N 0.16 0.61 -0.47 2.82 3.38 0.35 -0.79 115.31 121.36 2ksy h LEU 200 Ca 0.01 -0.50 -0.16 0.00 0.09 0.00 0.00 57.88 57.32 2ksy h LEU 200 Cb 0.93 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2ksy h LEU 200 CO 0.07 0.99 -0.43 0.44 0.09 0.00 0.00 178.44 179.60 2ksy h ASP 201 N 0.24 0.84 0.27 -0.43 3.32 -1.25 -2.78 116.42 116.64 2ksy h ASP 201 Ca 0.03 -0.40 -0.13 0.00 0.02 0.00 0.00 57.03 56.55 2ksy h ASP 201 Cb 0.84 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 2ksy h ASP 201 CO 0.06 1.15 -0.52 -0.07 -1.72 0.00 0.00 179.24 178.15 2ksy h LEU 202 N 0.63 0.31 -0.43 1.55 3.38 -1.34 -3.14 115.31 116.27 2ksy h LEU 202 Ca 0.04 -0.16 -0.18 0.00 0.09 0.00 0.00 57.88 57.68 2ksy h LEU 202 Cb 0.99 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2ksy h LEU 202 CO 0.09 0.77 -0.66 1.62 0.09 0.00 0.00 178.44 180.36 2ksy h VAL 203 N 0.22 1.34 0.00 1.22 3.04 -1.08 -2.34 116.25 118.66 2ksy h VAL 203 Ca 0.01 -1.97 0.00 0.00 -1.01 0.00 0.00 66.70 63.73 2ksy h VAL 203 Cb 0.99 1.95 0.00 0.00 -2.01 0.00 0.00 31.29 32.22 2ksy h VAL 203 CO 0.08 0.60 0.00 0.41 -1.01 0.00 0.00 177.57 177.66 2ksy n THR 204 N -3.90 0.00 0.00 3.17 -1.04 -1.05 -0.26 114.28 111.19 2ksy n THR 204 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 2ksy n THR 204 Cb 0.67 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 2ksy n THR 204 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2ksy n VAL 206 N -0.71 0.00 0.29 12.58 0.24 -0.88 -2.40 118.33 127.45 2ksy n VAL 206 Ca 0.03 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.17 2ksy n VAL 206 Cb 0.01 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.30 2ksy n VAL 206 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2ksy h GLY 207 N 0.00 -1.20 2.00 7.63 0.00 -0.71 0.27 103.07 111.06 2ksy h GLY 207 Ca 0.00 0.53 -0.13 0.00 0.00 0.00 0.00 47.33 47.74 2ksy h GLY 207 CO 0.00 -0.38 -0.60 0.27 0.00 0.00 0.00 176.54 175.84 2ksy h PHE 208 N -0.93 0.00 -0.15 5.60 -5.15 -1.59 -2.79 116.94 111.93 2ksy h PHE 208 Ca -0.07 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.65 2ksy h PHE 208 Cb 0.78 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.94 2ksy h PHE 208 CO -0.18 0.60 -0.15 0.78 -2.00 0.00 0.00 178.31 177.36 2ksy h GLY 209 N 1.87 0.26 0.56 6.09 0.00 -1.70 1.50 103.07 111.65 2ksy h GLY 209 Ca -0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 2ksy h GLY 209 CO 0.08 0.15 -0.21 0.74 0.00 0.00 0.00 176.54 177.29 2ksy h PHE 210 N 0.23 0.30 0.00 5.60 0.04 -0.26 -1.01 116.94 121.84 2ksy h PHE 210 Ca 0.04 -0.13 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 2ksy h PHE 210 Cb 0.41 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.51 2ksy h PHE 210 CO 0.01 0.85 -0.14 0.82 -0.60 0.00 0.00 178.31 179.24 2ksy h ILE 211 N -0.33 0.85 -0.68 -0.55 2.04 -1.23 -1.76 117.51 115.85 2ksy h ILE 211 Ca -0.01 -0.54 -0.07 0.00 1.00 0.00 0.00 64.86 65.23 2ksy h ILE 211 Cb 0.87 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 2ksy h ILE 211 CO 0.04 0.14 0.13 0.00 0.00 0.00 0.00 178.15 178.47 2ksy h ALA 212 N 1.86 0.95 -0.02 1.87 0.00 0.25 -1.76 119.26 122.40 2ksy h ALA 212 Ca -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2ksy h ALA 212 Cb 0.30 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ksy h ALA 212 CO 0.02 0.66 -0.01 -0.07 0.00 0.00 0.00 179.25 179.85 2ksy h LEU 213 N 1.03 0.05 0.03 0.00 3.38 -0.30 -0.26 115.31 119.25 2ksy h LEU 213 Ca 0.21 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.81 2ksy h LEU 213 Cb 0.41 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2ksy h LEU 213 CO 0.01 0.41 -0.07 -0.78 0.09 0.00 0.00 178.44 178.10 2ksy h ASP 214 N -0.32 -0.19 0.33 -0.43 1.82 -1.44 -0.53 116.42 115.66 2ksy h ASP 214 Ca 0.01 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.65 2ksy h ASP 214 Cb 0.39 0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.48 2ksy h ASP 214 CO 0.00 -0.11 -0.16 0.00 -1.61 0.00 0.00 179.24 177.37 2ksy h ALA 215 N 0.82 -0.45 -0.91 -0.78 0.00 -1.36 -2.30 119.26 114.29 2ksy h ALA 215 Ca 0.02 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.98 2ksy h ALA 215 Cb 0.15 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 2ksy h ALA 215 CO -0.05 -0.73 0.58 0.00 0.00 0.00 0.00 179.25 179.05 2ksy h ALA 216 N 0.17 1.89 -0.26 0.00 0.00 -0.95 0.28 119.26 120.39 2ksy h ALA 216 Ca -0.05 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2ksy h ALA 216 Cb 0.37 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2ksy h ALA 216 CO 0.08 -0.16 -0.13 0.00 0.00 0.00 0.00 179.25 179.04 2ksy h ALA 217 N 1.61 1.30 -0.01 0.00 0.00 -0.74 -0.71 119.26 120.70 2ksy h ALA 217 Ca 0.47 -0.26 -0.26 0.00 0.00 0.00 0.00 54.91 54.86 2ksy h ALA 217 Cb 0.83 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.52 2ksy h ALA 217 CO -0.22 0.47 -1.00 1.15 0.00 0.00 0.00 179.25 179.65 2ksy h THR 218 N 0.40 1.29 0.00 0.00 2.02 -0.01 -1.71 112.91 114.90 2ksy h THR 218 Ca 0.08 -2.21 -0.08 0.00 0.77 0.00 0.00 66.41 64.96 2ksy h THR 218 Cb 0.48 2.37 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 2ksy h THR 218 CO 0.03 0.68 -0.38 -0.07 0.37 0.00 0.00 175.52 176.15 2ksy h LEU 219 N 0.38 0.00 0.12 2.58 3.38 -0.69 -1.89 115.31 119.18 2ksy h LEU 219 Ca -0.12 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.56 2ksy h LEU 219 Cb 1.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 2ksy h LEU 219 CO 0.20 0.38 -1.36 -0.09 0.09 0.00 0.00 178.44 177.66 2ksy h ARG 220 N 0.00 0.25 0.00 1.13 2.43 -1.14 -2.25 114.38 114.80 2ksy h ARG 220 Ca -0.00 -0.42 -0.05 0.00 -0.81 0.00 0.00 59.98 58.70 2ksy h ARG 220 Cb 0.71 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 2ksy h ARG 220 CO 0.05 1.15 -0.24 0.00 -1.51 0.00 0.00 179.97 179.43 2ksy h ALA 221 N 0.57 1.00 0.00 2.80 0.00 -1.12 -2.98 119.26 119.53 2ksy h ALA 221 Ca -0.18 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.32 2ksy h ALA 221 Cb 1.98 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.70 2ksy h ALA 221 CO 0.18 0.29 -1.60 -0.85 0.00 0.00 0.00 179.25 177.28 2ksy n GLU 222 N -3.37 0.63 -2.48 0.00 0.28 -0.73 -5.06 120.64 109.91 2ksy n GLU 222 Ca 0.00 0.18 -0.05 0.00 -0.16 0.00 0.00 57.16 57.14 2ksy n GLU 222 Cb 0.45 -1.76 -0.04 0.00 1.43 0.00 0.00 31.44 31.53 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 -2.85 -4.31 0.14 -1.84 8.25 -0.85 -4.97 115.22 108.80 2ksy n HIS 223 Ca -0.13 2.52 0.05 0.00 -0.26 0.00 0.00 57.72 59.90 2ksy n HIS 223 Cb 0.89 -3.79 0.09 0.00 1.12 0.00 0.00 29.99 28.29 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 1.63 1.08 3.61 -1.41 0.00 -1.25 -4.96 105.19 103.89 2ksy n GLY 224 Ca -0.34 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 2ksy n GLY 224 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ksy s GLU 225 N -0.90 3.89 0.07 1.61 2.02 -1.26 -5.01 118.70 119.11 2ksy s GLU 225 Ca 0.16 0.69 -0.05 0.00 0.02 0.00 0.00 54.97 55.79 2ksy s GLU 225 Cb 0.09 -3.80 -0.02 0.00 0.10 0.00 0.00 34.13 30.51 2ksy s GLU 225 CO 0.13 -0.97 0.08 -1.54 0.02 0.00 0.00 175.26 172.97 2ksy s SER 226 N 1.87 0.31 0.00 -0.19 1.04 -1.26 -5.04 113.70 110.43 2ksy s SER 226 Ca 0.41 -0.84 0.21 0.00 0.48 0.00 0.00 55.95 56.21 2ksy s SER 226 Cb -0.12 0.27 -0.14 0.00 0.10 0.00 0.00 66.02 66.13 2ksy s SER 226 CO 0.19 -0.66 0.96 0.18 0.98 0.00 0.00 173.24 174.88 2ksy n LEU 227 N 0.02 1.39 -3.00 2.42 4.77 -1.26 -5.04 117.00 116.31 2ksy n LEU 227 Ca -0.14 -0.60 -0.10 0.00 -0.03 0.00 0.00 56.01 55.14 2ksy n LEU 227 Cb 0.62 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.72 2ksy n LEU 227 CO 0.25 0.30 -0.29 0.00 -1.33 0.00 0.00 177.39 176.32 2ksy n ALA 228 N -0.91 -2.83 -0.72 -1.18 0.00 -1.26 -4.80 120.51 108.80 2ksy n ALA 228 Ca 0.06 0.58 0.00 0.00 0.00 0.00 0.00 53.44 54.08 2ksy n ALA 228 Cb 0.38 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.86 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 0.36 -3.97 3.72 0.00 0.00 -1.26 -4.92 105.19 99.11 2ksy n GLY 229 Ca 0.02 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 2ksy n GLY 229 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ksy s VAL 230 N -0.81 3.68 -0.45 1.61 1.01 -1.26 -4.99 120.40 119.18 2ksy s VAL 230 Ca 0.00 1.27 -0.18 0.00 0.00 0.00 0.00 61.98 63.07 2ksy s VAL 230 Cb 0.00 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.60 2ksy s VAL 230 CO 0.00 0.13 0.52 -1.81 0.00 0.00 0.00 175.10 173.94 2ksy s ASP 231 N 0.77 6.22 -0.21 3.32 1.01 -1.26 -5.01 116.67 121.51 2ksy s ASP 231 Ca 0.58 -0.77 -0.28 0.00 0.71 0.00 0.00 52.55 52.80 2ksy s ASP 231 Cb -0.32 -2.25 0.13 0.00 1.01 0.00 0.00 42.92 41.48 2ksy s ASP 231 CO 0.32 -0.71 1.01 0.28 0.21 0.00 0.00 175.17 176.28 2ksy s THR 232 N 2.33 0.00 -0.69 -1.27 -1.32 -1.26 -5.02 115.64 108.41 2ksy s THR 232 Ca 0.14 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.87 2ksy s THR 232 Cb -0.18 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.09 2ksy s THR 232 CO 0.13 0.00 1.77 0.47 -2.21 0.00 0.00 174.62 174.78 2ksy n ASP 233 N 1.34 0.80 -4.32 8.08 8.00 -1.26 -4.60 116.55 124.59 2ksy n ASP 233 Ca -0.11 0.59 -0.41 0.00 0.71 0.00 0.00 54.79 55.57 2ksy n ASP 233 Cb 0.57 -0.80 -0.10 0.00 -0.02 0.00 0.00 41.12 40.77 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 -3.14 4.47 0.88 -3.53 2.01 -1.26 -5.09 115.64 109.99 2ksy s THR 234 Ca 0.10 -1.15 -0.12 0.00 0.31 0.00 0.00 61.69 60.83 2ksy s THR 234 Cb 0.12 -3.63 0.12 0.00 0.01 0.00 0.00 72.50 69.12 2ksy s THR 234 CO 0.57 -0.41 1.15 -2.16 -0.69 0.00 0.00 174.62 173.08 2ksy s PRO 235 N 1.50 1.39 0.20 4.92 0.04 -1.26 -5.04 135.00 136.75 2ksy s PRO 235 Ca 0.03 0.23 -0.20 0.00 0.04 0.00 0.00 61.00 61.10 2ksy s PRO 235 Cb -0.22 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 2ksy s PRO 235 CO 0.04 -2.02 0.71 0.00 0.04 0.00 0.00 177.00 175.78 2ksy s ALA 236 N -3.37 3.44 0.00 8.56 0.00 -1.26 -5.08 121.76 124.04 2ksy s ALA 236 Ca 0.63 0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.80 2ksy s ALA 236 Cb -0.14 -2.81 -0.01 0.00 0.00 0.00 0.00 23.12 20.16 2ksy s ALA 236 CO 0.52 0.34 -0.15 0.54 0.00 0.00 0.00 175.76 177.00 2ksy s VAL 237 N -1.45 1.22 0.00 0.00 0.11 -1.26 -5.01 120.40 114.01 2ksy s VAL 237 Ca 0.41 -0.75 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 2ksy s VAL 237 Cb -0.17 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 33.65 2ksy s VAL 237 CO 0.21 0.27 0.00 0.00 -3.33 0.00 0.00 175.10 172.26 2ksy n ALA 238 N 2.51 0.78 -3.08 1.54 0.00 -1.26 -5.09 120.51 115.91 2ksy n ALA 238 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.17 2ksy n ALA 238 Cb 0.55 0.02 -0.12 0.00 0.00 0.00 0.00 19.45 19.90 2ksy n ALA 238 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ksy s ASP 239 N -0.87 -0.15 -0.03 0.00 -1.08 -1.26 -5.15 116.67 108.14 2ksy s ASP 239 Ca 0.00 0.25 -0.20 0.00 -0.52 0.00 0.00 52.55 52.08 2ksy s ASP 239 Cb 0.00 0.34 -0.05 0.00 -1.46 0.00 0.00 42.92 41.75 2ksy s ASP 239 CO 0.00 -0.13 0.57 -0.76 0.52 0.00 0.00 175.17 175.36 2ksy s LEU 240 N -0.23 4.38 0.00 -1.34 2.01 -1.26 -5.00 118.68 117.24 2ksy s LEU 240 Ca -0.03 1.08 0.00 0.00 0.01 0.00 0.00 54.13 55.19 2ksy s LEU 240 Cb -0.03 -2.87 0.00 0.00 0.01 0.00 0.00 46.19 43.31 2ksy s LEU 240 CO 0.01 0.08 0.00 1.21 1.01 0.00 0.00 176.35 178.65 2ksy n GLU 241 N 2.95 0.00 -2.37 1.70 4.07 -1.26 -5.11 120.64 120.62 2ksy n GLU 241 Ca -0.07 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.02 2ksy n GLU 241 Cb 0.51 -0.32 -0.01 0.00 -0.06 0.00 0.00 31.44 31.56 2ksy n GLU 241 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2ksy n HIS 242 N -2.19 -4.63 -4.25 4.31 8.25 -1.26 -5.06 115.22 110.38 2ksy n HIS 242 Ca 0.00 2.74 -0.20 0.00 -0.26 0.00 0.00 57.72 60.00 2ksy n HIS 242 Cb 0.00 -3.82 -0.12 0.00 1.12 0.00 0.00 29.99 27.18 2ksy n HIS 242 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2ksy s HIS 243 N -0.60 1.52 0.00 4.41 -3.43 -1.26 -5.01 115.29 110.92 2ksy s HIS 243 Ca -0.07 -0.49 0.00 0.00 -0.80 0.00 0.00 55.06 53.70 2ksy s HIS 243 Cb 0.00 -0.81 0.00 0.00 -1.43 0.00 0.00 32.58 30.35 2ksy s HIS 243 CO 0.19 0.17 0.00 1.58 -2.00 0.00 0.00 174.74 174.68 2ksy n HIS 244 N 0.76 0.00 -2.90 0.38 -0.00 -1.26 -5.13 115.22 107.07 2ksy n HIS 244 Ca -0.17 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.81 2ksy n HIS 244 Cb 0.56 0.00 0.06 0.00 -0.12 0.00 0.00 29.99 30.48 2ksy n HIS 244 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2ksy s HIS 245 N -0.43 1.87 0.00 1.57 3.76 -1.26 -5.05 115.29 115.74 2ksy s HIS 245 Ca 0.00 -0.50 0.00 0.00 -0.15 0.00 0.00 55.06 54.41 2ksy s HIS 245 Cb 0.00 -2.46 0.00 0.00 1.11 0.00 0.00 32.58 31.23 2ksy s HIS 245 CO 0.00 -1.09 0.00 1.58 -0.85 0.00 0.00 174.74 174.38 2ksy n HIS 246 N -2.29 -0.08 1.31 1.40 -0.00 -1.26 -5.26 115.22 109.04 2ksy n HIS 246 Ca 0.13 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.45 2ksy n HIS 246 Cb 0.61 0.09 0.37 0.00 -0.12 0.00 0.00 29.99 30.93 2ksy n HIS 246 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52