#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 0.08 2.03 0.31 -1.26 -4.68 118.33 114.81 2ksy n VAL 2 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 2ksy n VAL 2 Cb 0.00 -0.32 -0.09 0.00 -0.91 0.00 0.00 33.84 32.53 2ksy n VAL 2 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2ksy h GLY 3 N 0.00 0.13 1.43 2.92 0.00 -2.02 -3.28 103.07 102.25 2ksy h GLY 3 Ca 0.00 -0.29 -0.21 0.00 0.00 0.00 0.00 47.33 46.83 2ksy h GLY 3 CO 0.00 0.25 -0.81 -2.00 0.00 0.00 0.00 176.54 173.98 2ksy h LEU 4 N 0.04 0.66 -1.80 3.11 5.85 -1.99 -3.19 115.31 117.99 2ksy h LEU 4 Ca -0.05 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 58.23 2ksy h LEU 4 Cb 1.73 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 2ksy h LEU 4 CO 0.15 1.23 0.16 0.71 -0.34 0.00 0.00 178.44 180.35 2ksy h THR 5 N 0.35 1.02 -0.75 1.05 1.35 -1.83 -1.92 112.91 112.18 2ksy h THR 5 Ca -0.05 -0.09 0.11 0.00 -0.55 0.00 0.00 66.41 65.83 2ksy h THR 5 Cb 1.42 0.73 -0.05 0.00 -1.73 0.00 0.00 68.15 68.52 2ksy h THR 5 CO 0.15 0.05 0.49 0.71 -0.25 0.00 0.00 175.52 176.67 2ksy h THR 6 N 0.26 0.89 0.24 6.82 1.35 -1.61 -2.19 112.91 118.68 2ksy h THR 6 Ca 0.10 -0.20 -0.01 0.00 -0.55 0.00 0.00 66.41 65.75 2ksy h THR 6 Cb 0.07 0.26 -0.01 0.00 -1.73 0.00 0.00 68.15 66.74 2ksy h THR 6 CO -0.02 0.11 -0.16 -0.07 -0.25 0.00 0.00 175.52 175.13 2ksy h LEU 7 N 0.58 -0.40 -1.69 3.87 -0.00 -1.51 -0.96 115.31 115.20 2ksy h LEU 7 Ca 0.35 0.03 0.03 0.00 -0.00 0.00 0.00 57.88 58.30 2ksy h LEU 7 Cb 0.58 0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 41.34 2ksy h LEU 7 CO -0.13 -0.26 0.27 -0.26 -0.00 0.00 0.00 178.44 178.06 2ksy h PHE 8 N -0.40 0.39 -0.21 1.13 0.04 -1.52 -1.40 116.94 114.98 2ksy h PHE 8 Ca -0.02 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 2ksy h PHE 8 Cb 0.34 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 2ksy h PHE 8 CO -0.10 0.23 -0.01 -1.49 -0.60 0.00 0.00 178.31 176.34 2ksy h TRP 9 N 0.40 0.40 -0.80 -0.55 -0.00 -0.93 -1.88 115.95 112.59 2ksy h TRP 9 Ca 0.16 -0.07 0.01 0.00 -0.00 0.00 0.00 58.89 58.99 2ksy h TRP 9 Cb 0.15 -0.10 -0.04 0.00 -0.00 0.00 0.00 29.16 29.17 2ksy h TRP 9 CO -0.00 0.56 0.53 -0.07 -0.00 0.00 0.00 178.44 179.46 2ksy h LEU 10 N 0.12 0.91 -1.62 -4.49 3.38 -0.45 -1.27 115.31 111.89 2ksy h LEU 10 Ca 0.06 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2ksy h LEU 10 Cb 0.41 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2ksy h LEU 10 CO 0.01 0.66 -0.15 1.23 0.09 0.00 0.00 178.44 180.28 2ksy h GLY 11 N 1.08 0.05 1.93 0.83 0.00 -1.12 -1.92 103.07 103.92 2ksy h GLY 11 Ca 0.30 -0.03 -0.15 0.00 0.00 0.00 0.00 47.33 47.45 2ksy h GLY 11 CO -0.07 0.03 -0.67 0.00 0.00 0.00 0.00 176.54 175.83 2ksy h ALA 12 N 1.80 0.86 0.30 3.60 0.00 -0.41 -1.66 119.26 123.75 2ksy h ALA 12 Ca 0.01 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 2ksy h ALA 12 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2ksy h ALA 12 CO 0.02 0.81 -0.14 0.82 0.00 0.00 0.00 179.25 180.76 2ksy h ILE 13 N 0.04 0.69 -0.43 0.00 2.04 -0.57 -1.30 117.51 117.98 2ksy h ILE 13 Ca -0.01 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 2ksy h ILE 13 Cb 1.18 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2ksy h ILE 13 CO 0.09 0.12 0.15 1.23 0.00 0.00 0.00 178.15 179.74 2ksy h GLY 14 N -0.78 0.67 1.01 5.37 0.00 -1.53 -2.21 103.07 105.61 2ksy h GLY 14 Ca -0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 2ksy h GLY 14 CO 0.07 0.32 0.30 1.98 0.00 0.00 0.00 176.54 179.21 2ksy h MET 15 N 0.62 0.98 -0.79 4.80 -1.53 -1.26 -2.02 114.93 115.73 2ksy h MET 15 Ca 0.15 -0.16 0.02 0.00 -3.44 0.00 0.00 59.70 56.27 2ksy h MET 15 Cb 0.17 -0.17 -0.04 0.00 -0.55 0.00 0.00 31.60 31.01 2ksy h MET 15 CO -0.01 0.80 0.52 1.25 0.14 0.00 0.00 176.91 179.61 2ksy h LEU 16 N 0.94 0.88 -0.70 3.39 7.12 -0.63 -0.30 115.31 126.02 2ksy h LEU 16 Ca 0.23 -0.02 0.02 0.00 0.13 0.00 0.00 57.88 58.24 2ksy h LEU 16 Cb 0.16 -0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 40.03 2ksy h LEU 16 CO -0.02 0.62 0.45 0.58 -0.13 0.00 0.00 178.44 179.94 2ksy h VAL 17 N 1.03 1.13 -0.35 1.05 2.07 -0.99 -2.48 116.25 117.72 2ksy h VAL 17 Ca 0.30 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 2ksy h VAL 17 Cb -0.05 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 2ksy h VAL 17 CO -0.08 0.16 -0.16 1.23 0.02 0.00 0.00 177.57 178.75 2ksy h GLY 18 N 0.89 0.78 0.02 2.17 0.00 -0.92 -2.44 103.07 103.57 2ksy h GLY 18 Ca 0.27 -0.69 0.14 0.00 0.00 0.00 0.00 47.33 47.05 2ksy h GLY 18 CO -0.08 0.63 0.15 -0.84 0.00 0.00 0.00 176.54 176.40 2ksy h THR 19 N 0.50 0.56 -0.17 4.70 2.02 -0.69 -0.57 112.91 119.26 2ksy h THR 19 Ca 0.08 -0.09 -0.14 0.00 0.77 0.00 0.00 66.41 67.03 2ksy h THR 19 Cb 0.69 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2ksy h THR 19 CO 0.05 0.05 -0.43 -0.07 0.37 0.00 0.00 175.52 175.49 2ksy h LEU 20 N 0.26 0.67 -1.68 2.58 3.38 -1.44 -0.54 115.31 118.55 2ksy h LEU 20 Ca 0.38 -0.58 0.05 0.00 0.09 0.00 0.00 57.88 57.82 2ksy h LEU 20 Cb 0.61 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2ksy h LEU 20 CO -0.47 1.13 0.30 0.00 0.09 0.00 0.00 178.44 179.48 2ksy h ALA 21 N 0.56 1.90 0.09 1.53 0.00 -0.82 0.11 119.26 122.64 2ksy h ALA 21 Ca -0.01 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.54 2ksy h ALA 21 Cb 1.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2ksy h ALA 21 CO 0.09 0.03 -1.95 1.19 0.00 0.00 0.00 179.25 178.61 2ksy n PHE 22 N -4.48 1.17 0.05 0.00 3.72 -0.31 -3.51 117.46 114.10 2ksy n PHE 22 Ca 0.05 0.28 -0.13 0.00 -0.05 0.00 0.00 57.45 57.60 2ksy n PHE 22 Cb 0.21 -1.16 -0.09 0.00 -0.94 0.00 0.00 39.48 37.50 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 0.29 -0.11 0.29 4.37 0.00 -0.84 0.20 119.26 123.45 2ksy h ALA 23 Ca -0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 2ksy h ALA 23 Cb 2.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.87 2ksy h ALA 23 CO 0.08 -0.42 -0.14 2.35 0.00 0.00 0.00 179.25 181.13 2ksy h TRP 24 N -0.41 -0.36 0.00 0.00 2.91 -1.18 -1.47 115.95 115.44 2ksy h TRP 24 Ca -0.01 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 59.99 2ksy h TRP 24 Cb 0.35 0.12 -0.00 0.00 -0.51 0.00 0.00 29.16 29.12 2ksy h TRP 24 CO 0.02 -0.21 -0.03 0.00 -1.03 0.00 0.00 178.44 177.20 2ksy h ALA 25 N 0.31 1.02 -0.09 2.65 0.00 -1.62 -3.02 119.26 118.50 2ksy h ALA 25 Ca -0.04 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 2ksy h ALA 25 Cb 0.31 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2ksy h ALA 25 CO 0.06 0.03 -0.50 0.78 0.00 0.00 0.00 179.25 179.62 2ksy h GLY 26 N 1.71 0.55 2.00 0.00 0.00 0.01 -3.17 103.07 104.18 2ksy h GLY 26 Ca -0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 2ksy h GLY 26 CO 0.00 0.70 -0.07 3.21 0.00 0.00 0.00 176.54 180.39 2ksy h ARG 27 N 0.08 0.00 -4.44 4.80 2.47 -1.16 -3.36 114.38 112.78 2ksy h ARG 27 Ca -0.04 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 58.03 2ksy h ARG 27 Cb 1.15 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 29.07 2ksy h ARG 27 CO 0.10 0.07 -0.70 0.34 0.56 0.00 0.00 179.97 180.34 2ksy s ASP 28 N -6.09 4.68 0.00 7.04 -1.08 -1.20 -4.88 116.67 115.15 2ksy s ASP 28 Ca -0.04 -2.32 0.00 0.00 -0.52 0.00 0.00 52.55 49.67 2ksy s ASP 28 Cb 0.14 -1.63 0.00 0.00 -1.46 0.00 0.00 42.92 39.97 2ksy s ASP 28 CO 0.56 -0.35 0.00 0.00 0.52 0.00 0.00 175.17 175.90 2ksy n ALA 29 N 4.03 0.00 -2.86 3.66 0.00 -1.26 -4.79 120.51 119.29 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 -1.02 4.42 0.00 0.00 0.00 -1.26 -5.08 105.19 102.25 2ksy n GLY 30 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 4.55 -0.10 1.61 2.88 -1.26 -4.70 113.62 116.60 2ksy n SER 31 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 2ksy n SER 31 Cb 0.00 0.28 -0.12 0.00 -0.75 0.00 0.00 64.21 63.62 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 3.21 -0.43 0.34 0.46 0.00 -1.26 -4.27 105.19 103.24 2ksy n GLY 32 Ca 0.00 -0.19 0.21 0.00 0.00 0.00 0.00 46.02 46.04 2ksy n GLY 32 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ksy h GLU 33 N -0.09 0.00 -1.02 1.61 4.11 -1.98 -2.41 114.58 114.81 2ksy h GLU 33 Ca -0.55 0.00 0.30 0.00 0.07 0.00 0.00 59.36 59.18 2ksy h GLU 33 Cb 1.89 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.10 2ksy h GLU 33 CO -0.08 0.00 0.76 0.00 0.07 0.00 0.00 179.01 179.77 2ksy h ARG 34 N 0.00 0.00 -0.34 1.06 3.08 -1.84 0.61 114.38 116.95 2ksy h ARG 34 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ksy h ARG 34 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2ksy h ARG 34 CO -0.00 0.00 0.22 0.00 -1.07 0.00 0.00 179.97 179.12 2ksy h ARG 35 N 0.00 0.45 -0.42 0.04 3.08 -1.73 0.64 114.38 116.43 2ksy h ARG 35 Ca 0.48 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.42 2ksy h ARG 35 Cb 2.01 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.94 2ksy h ARG 35 CO -0.01 0.31 -0.05 1.88 -1.07 0.00 0.00 179.97 181.03 2ksy h TYR 36 N 0.45 0.86 0.15 3.04 -1.99 -1.12 -2.24 116.97 116.13 2ksy h TYR 36 Ca 0.12 -0.17 -0.01 0.00 2.00 0.00 0.00 58.73 60.68 2ksy h TYR 36 Cb -0.04 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 38.47 2ksy h TYR 36 CO -0.05 0.87 -0.07 1.88 -0.00 0.00 0.00 178.16 180.79 2ksy h TYR 37 N 0.61 -0.19 -0.78 4.88 -1.99 -1.27 -0.50 116.97 117.72 2ksy h TYR 37 Ca 0.11 -0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.92 2ksy h TYR 37 Cb 0.56 0.06 -0.05 0.00 2.00 0.00 0.00 36.73 39.30 2ksy h TYR 37 CO 0.04 0.02 0.51 0.28 -0.00 0.00 0.00 178.16 179.02 2ksy h VAL 38 N -0.38 0.99 -0.14 -2.88 2.07 -0.90 -0.47 116.25 114.54 2ksy h VAL 38 Ca -0.02 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 2ksy h VAL 38 Cb 0.30 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2ksy h VAL 38 CO 0.03 0.14 0.02 0.74 0.02 0.00 0.00 177.57 178.53 2ksy h THR 39 N 0.78 1.22 -0.53 2.57 2.02 -1.14 -1.51 112.91 116.32 2ksy h THR 39 Ca 0.35 -0.72 0.06 0.00 0.77 0.00 0.00 66.41 66.87 2ksy h THR 39 Cb 0.35 1.43 -0.05 0.00 -1.74 0.00 0.00 68.15 68.13 2ksy h THR 39 CO -0.13 0.21 0.24 0.25 0.37 0.00 0.00 175.52 176.47 2ksy h LEU 40 N 0.02 0.31 -1.49 2.58 5.85 -0.10 -0.08 115.31 122.40 2ksy h LEU 40 Ca 0.04 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2ksy h LEU 40 Cb 0.31 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 2ksy h LEU 40 CO 0.00 0.21 0.24 0.58 -0.34 0.00 0.00 178.44 179.13 2ksy h VAL 41 N 0.46 1.13 -0.65 1.05 2.07 -1.00 -2.27 116.25 117.05 2ksy h VAL 41 Ca 0.25 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.49 2ksy h VAL 41 Cb 0.21 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 2ksy h VAL 41 CO -0.21 0.14 0.36 1.23 0.02 0.00 0.00 177.57 179.12 2ksy h GLY 42 N 0.66 0.95 0.85 2.17 0.00 0.07 0.10 103.07 107.87 2ksy h GLY 42 Ca 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 2ksy h GLY 42 CO -0.03 0.16 -0.07 -2.22 0.00 0.00 0.00 176.54 174.39 2ksy h ILE 43 N 0.68 0.95 0.00 2.60 2.04 -1.09 -0.37 117.51 122.32 2ksy h ILE 43 Ca 0.29 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2ksy h ILE 43 Cb 0.16 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2ksy h ILE 43 CO -0.17 0.08 -0.02 0.77 0.00 0.00 0.00 178.15 178.81 2ksy h SER 44 N -0.34 0.00 0.02 1.72 4.64 -1.25 -2.04 113.55 116.30 2ksy h SER 44 Ca -0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2ksy h SER 44 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2ksy h SER 44 CO 0.03 0.02 -0.01 1.23 -0.87 0.00 0.00 176.83 177.23 2ksy h GLY 45 N 0.06 -0.03 1.08 -0.77 0.00 -0.49 -2.62 103.07 100.31 2ksy h GLY 45 Ca -0.00 0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.38 2ksy h GLY 45 CO 0.00 -0.01 0.52 0.16 0.00 0.00 0.00 176.54 177.22 2ksy h ILE 46 N -0.89 1.11 -0.30 2.60 3.07 -0.95 -2.27 117.51 119.88 2ksy h ILE 46 Ca -0.00 -0.33 -0.08 0.00 1.55 0.00 0.00 64.86 66.00 2ksy h ILE 46 Cb 0.77 0.07 -0.01 0.00 -0.27 0.00 0.00 36.82 37.38 2ksy h ILE 46 CO 0.00 0.18 -0.11 0.00 -1.05 0.00 0.00 178.15 177.17 2ksy h ALA 47 N 1.54 0.42 -0.76 0.16 0.00 -1.47 -2.49 119.26 116.66 2ksy h ALA 47 Ca 0.32 -0.31 0.09 0.00 0.00 0.00 0.00 54.91 55.01 2ksy h ALA 47 Cb 0.07 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 2ksy h ALA 47 CO -0.10 0.28 0.41 0.00 0.00 0.00 0.00 179.25 179.85 2ksy h ALA 48 N 0.78 1.06 -0.09 0.00 0.00 -1.02 -1.18 119.26 118.81 2ksy h ALA 48 Ca 0.07 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 2ksy h ALA 48 Cb 0.61 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2ksy h ALA 48 CO 0.04 0.03 -0.71 -0.39 0.00 0.00 0.00 179.25 178.22 2ksy h VAL 49 N 0.70 1.37 -0.74 0.00 -1.51 -1.48 -2.31 116.25 112.29 2ksy h VAL 49 Ca 0.37 -2.09 -0.05 0.00 -1.23 0.00 0.00 66.70 63.69 2ksy h VAL 49 Cb 0.34 2.07 -0.03 0.00 -2.13 0.00 0.00 31.29 31.54 2ksy h VAL 49 CO -0.25 0.63 0.28 0.00 -1.23 0.00 0.00 177.57 177.00 2ksy h ALA 50 N 0.93 1.10 -0.16 5.19 0.00 -0.90 -1.05 119.26 124.36 2ksy h ALA 50 Ca -0.03 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.48 2ksy h ALA 50 Cb 1.28 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.79 2ksy h ALA 50 CO 0.12 0.64 -0.73 1.88 0.00 0.00 0.00 179.25 181.16 2ksy h TYR 51 N 1.08 0.98 -0.38 0.00 0.05 -1.22 -2.30 116.97 115.18 2ksy h TYR 51 Ca 0.25 -0.42 -0.02 0.00 0.05 0.00 0.00 58.73 58.59 2ksy h TYR 51 Cb 0.23 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 2ksy h TYR 51 CO 0.02 1.24 0.17 0.00 -1.05 0.00 0.00 178.16 178.54 2ksy h ALA 52 N 0.65 0.49 0.20 3.88 0.00 -1.15 0.14 119.26 123.49 2ksy h ALA 52 Ca -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2ksy h ALA 52 Cb 1.35 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2ksy h ALA 52 CO 0.15 0.07 -0.10 -0.39 0.00 0.00 0.00 179.25 178.98 2ksy h VAL 53 N 0.48 0.89 -0.58 0.00 -1.51 -1.23 -2.52 116.25 111.77 2ksy h VAL 53 Ca 0.13 -0.63 0.05 0.00 -1.23 0.00 0.00 66.70 65.02 2ksy h VAL 53 Cb 0.14 1.26 -0.03 0.00 -2.13 0.00 0.00 31.29 30.52 2ksy h VAL 53 CO -0.01 0.14 0.39 0.24 -1.23 0.00 0.00 177.57 177.09 2ksy h MET 54 N -0.59 0.61 0.00 5.19 2.07 -1.40 0.10 114.93 120.90 2ksy h MET 54 Ca -0.03 -0.04 -0.03 0.00 -2.07 0.00 0.00 59.70 57.53 2ksy h MET 54 Cb 0.43 -0.14 -0.00 0.00 -1.87 0.00 0.00 31.60 30.02 2ksy h MET 54 CO 0.05 0.40 -0.16 0.00 1.07 0.00 0.00 176.91 178.27 2ksy h ALA 55 N 1.67 1.69 0.00 6.32 0.00 -0.55 -1.31 119.26 127.08 2ksy h ALA 55 Ca 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2ksy h ALA 55 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2ksy h ALA 55 CO -0.07 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.66 2ksy n LEU 56 N -4.28 0.00 0.00 0.00 4.77 0.01 -4.76 117.00 112.74 2ksy n LEU 56 Ca -0.02 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 2ksy n LEU 56 Cb 0.23 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2ksy n LEU 56 CO 0.35 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2ksy n GLY 57 N 1.30 0.29 3.81 -0.72 0.00 -0.49 -5.07 105.19 104.31 2ksy n GLY 57 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2ksy n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ksy s VAL 58 N -2.08 3.93 -0.39 1.61 0.11 -1.18 -3.69 120.40 118.72 2ksy s VAL 58 Ca 0.00 0.93 0.00 0.00 -2.93 0.00 0.00 61.98 59.98 2ksy s VAL 58 Cb 0.00 -3.44 0.00 0.00 -1.53 0.00 0.00 36.38 31.41 2ksy s VAL 58 CO 0.00 -0.52 0.00 0.61 -3.33 0.00 0.00 175.10 171.86 2ksy n GLY 59 N -1.05 0.55 3.25 6.54 0.00 -1.26 -4.20 105.19 109.03 2ksy n GLY 59 Ca 0.08 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.16 3.36 -0.46 1.61 0.52 -1.24 -1.93 118.94 118.64 2ksy s TRP 60 Ca 0.00 -1.64 -0.17 0.00 0.02 0.00 0.00 56.10 54.31 2ksy s TRP 60 Cb 0.00 -3.49 0.04 0.00 -1.15 0.00 0.00 33.47 28.87 2ksy s TRP 60 CO 0.00 -0.97 0.47 0.08 0.02 0.00 0.00 176.95 176.55 2ksy s VAL 61 N 1.44 5.07 0.26 4.03 1.01 0.03 -4.98 120.40 127.27 2ksy s VAL 61 Ca 0.05 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 2ksy s VAL 61 Cb -0.27 -4.13 -0.11 0.00 0.00 0.00 0.00 36.38 31.88 2ksy s VAL 61 CO 0.01 -0.56 1.50 -2.16 0.00 0.00 0.00 175.10 173.89 2ksy s PRO 62 N 2.13 4.21 -0.35 2.72 0.04 -1.26 -1.66 135.00 140.83 2ksy s PRO 62 Ca 0.11 2.41 -0.01 0.00 0.04 0.00 0.00 61.00 63.55 2ksy s PRO 62 Cb -0.19 -3.08 0.12 0.00 0.04 0.00 0.00 34.50 31.39 2ksy s PRO 62 CO 0.11 -0.50 0.18 0.08 0.04 0.00 0.00 177.00 176.91 2ksy s VAL 63 N 0.01 0.45 0.00 -0.36 1.01 0.15 -4.91 120.40 116.76 2ksy s VAL 63 Ca 0.61 -1.59 0.00 0.00 0.00 0.00 0.00 61.98 61.00 2ksy s VAL 63 Cb -0.44 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.60 2ksy s VAL 63 CO 0.45 -0.86 0.00 0.00 0.00 0.00 0.00 175.10 174.69 2ksy n ALA 64 N 4.37 0.00 -0.00 5.51 0.00 -1.26 -0.26 120.51 128.87 2ksy n ALA 64 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.49 2ksy n ALA 64 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.82 2ksy n ALA 64 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ksy n GLU 65 N 0.00 1.07 -4.03 0.00 2.13 -1.26 -5.04 120.64 113.51 2ksy n GLU 65 Ca 0.00 -0.02 -0.24 0.00 0.66 0.00 0.00 57.16 57.57 2ksy n GLU 65 Cb 0.00 -1.06 -0.04 0.00 0.27 0.00 0.00 31.44 30.61 2ksy n GLU 65 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2ksy s ARG 66 N -2.14 3.19 -0.18 5.31 1.81 0.64 -5.11 118.95 122.46 2ksy s ARG 66 Ca -0.01 -0.82 0.01 0.00 -1.72 0.00 0.00 55.73 53.19 2ksy s ARG 66 Cb 0.01 -2.77 0.04 0.00 -0.45 0.00 0.00 34.95 31.78 2ksy s ARG 66 CO 0.10 0.46 -0.12 0.99 -0.68 0.00 0.00 175.30 176.05 2ksy s THR 67 N -1.91 1.64 0.15 0.02 2.01 -1.26 0.32 115.64 116.61 2ksy s THR 67 Ca 0.33 -0.90 -0.13 0.00 0.31 0.00 0.00 61.69 61.30 2ksy s THR 67 Cb -0.09 -1.66 -0.07 0.00 0.01 0.00 0.00 72.50 70.69 2ksy s THR 67 CO 0.27 0.27 0.53 0.68 -0.69 0.00 0.00 174.62 175.68 2ksy s VAL 68 N 1.42 4.89 -0.32 3.82 -7.23 -0.67 -4.90 120.40 117.41 2ksy s VAL 68 Ca 0.01 0.75 -0.06 0.00 -1.81 0.00 0.00 61.98 60.86 2ksy s VAL 68 Cb -0.15 -3.71 0.03 0.00 0.56 0.00 0.00 36.38 33.11 2ksy s VAL 68 CO -0.09 0.21 0.09 -0.36 -0.31 0.00 0.00 175.10 174.64 2ksy s PHE 69 N -1.50 3.22 0.08 2.82 0.08 -1.26 -0.79 117.98 120.64 2ksy s PHE 69 Ca 0.38 -1.34 -0.23 0.00 0.12 0.00 0.00 56.93 55.86 2ksy s PHE 69 Cb -0.14 -2.26 -0.15 0.00 -0.57 0.00 0.00 43.02 39.89 2ksy s PHE 69 CO 0.19 -0.70 1.70 0.28 -0.10 0.00 0.00 175.22 176.60 2ksy h VAL 70 N 6.11 1.02 0.00 -0.44 2.07 -1.77 -2.52 116.25 120.72 2ksy h VAL 70 Ca -0.25 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2ksy h VAL 70 Cb 1.09 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2ksy h VAL 70 CO 0.60 0.02 0.00 1.55 0.02 0.00 0.00 177.57 179.76 2ksy h PRO 71 N -0.05 0.00 0.24 1.57 0.13 -1.92 -2.43 132.00 129.54 2ksy h PRO 71 Ca -0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2ksy h PRO 71 Cb 0.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.18 2ksy h PRO 71 CO 0.00 0.00 -0.12 -0.09 -0.23 0.00 0.00 178.00 177.57 2ksy h ARG 72 N 0.00 -0.31 -0.21 0.86 2.43 -1.78 0.53 114.38 115.89 2ksy h ARG 72 Ca 0.00 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 2ksy h ARG 72 Cb 0.21 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2ksy h ARG 72 CO 0.00 0.05 -0.34 1.88 -1.51 0.00 0.00 179.97 180.05 2ksy h TYR 73 N -0.87 0.52 -0.35 2.20 0.05 -1.52 -2.67 116.97 114.33 2ksy h TYR 73 Ca -0.03 -0.13 -0.11 0.00 0.05 0.00 0.00 58.73 58.50 2ksy h TYR 73 Cb 0.51 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 2ksy h TYR 73 CO 0.06 0.74 -0.24 0.97 -1.05 0.00 0.00 178.16 178.64 2ksy h ILE 74 N 0.39 1.27 -0.74 -2.88 -0.00 -1.49 -2.03 117.51 112.02 2ksy h ILE 74 Ca 0.04 -1.33 -0.00 0.00 -0.00 0.00 0.00 64.86 63.58 2ksy h ILE 74 Cb 0.79 1.26 -0.04 0.00 -0.00 0.00 0.00 36.82 38.83 2ksy h ILE 74 CO 0.06 0.44 0.46 -0.78 -0.00 0.00 0.00 178.15 178.33 2ksy h ASP 75 N 0.61 0.88 0.59 2.19 3.58 -0.56 -0.46 116.42 123.23 2ksy h ASP 75 Ca 0.08 -0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.41 2ksy h ASP 75 Cb 0.72 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 2ksy h ASP 75 CO 0.06 0.66 -0.40 -0.50 -2.88 0.00 0.00 179.24 176.18 2ksy h TRP 76 N 1.02 0.00 -0.29 0.28 6.55 -1.14 0.12 115.95 122.48 2ksy h TRP 76 Ca 0.27 0.00 -0.12 0.00 0.95 0.00 0.00 58.89 59.99 2ksy h TRP 76 Cb -0.07 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.22 2ksy h TRP 76 CO 0.00 0.40 -0.32 0.82 -1.05 0.00 0.00 178.44 178.29 2ksy h ILE 77 N 0.00 1.28 0.00 1.49 2.04 -0.40 -1.49 117.51 120.44 2ksy h ILE 77 Ca -0.00 -1.44 -0.20 0.00 1.00 0.00 0.00 64.86 64.21 2ksy h ILE 77 Cb 0.80 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 2ksy h ILE 77 CO 0.05 0.46 -1.53 0.00 0.00 0.00 0.00 178.15 177.14 2ksy n LEU 78 N -4.07 0.81 -0.08 1.44 -0.00 -0.91 -4.28 117.00 109.91 2ksy n LEU 78 Ca -0.01 0.36 -0.14 0.00 -0.00 0.00 0.00 56.01 56.22 2ksy n LEU 78 Cb 0.47 0.11 -0.10 0.00 -0.00 0.00 0.00 43.42 43.90 2ksy n LEU 78 CO 0.44 0.21 -0.07 0.71 -0.00 0.00 0.00 177.39 178.68 2ksy h THR 79 N 0.00 1.06 0.09 1.47 1.35 -0.98 -3.33 112.91 112.57 2ksy h THR 79 Ca -0.20 -1.98 0.02 0.00 -0.55 0.00 0.00 66.41 63.70 2ksy h THR 79 Cb 1.70 2.19 -0.04 0.00 -1.73 0.00 0.00 68.15 70.26 2ksy h THR 79 CO 0.05 0.36 -0.35 0.74 -0.25 0.00 0.00 175.52 176.07 2ksy h THR 80 N -1.00 0.26 0.00 6.82 2.02 -1.49 -0.42 112.91 119.11 2ksy h THR 80 Ca -0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.05 2ksy h THR 80 Cb 0.94 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2ksy h THR 80 CO -0.08 0.00 0.08 -0.65 0.37 0.00 0.00 175.52 175.24 2ksy h PRO 81 N -0.56 0.00 0.03 6.66 0.11 -1.76 0.19 132.00 136.67 2ksy h PRO 81 Ca 0.04 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.91 2ksy h PRO 81 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 2ksy h PRO 81 CO -0.23 0.00 -1.01 1.25 -0.21 0.00 0.00 178.00 177.81 2ksy h LEU 82 N 0.00 0.51 0.07 2.35 5.85 -1.20 -1.90 115.31 120.98 2ksy h LEU 82 Ca 0.00 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 2ksy h LEU 82 Cb 0.16 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2ksy h LEU 82 CO 0.00 1.25 -0.03 0.40 -0.34 0.00 0.00 178.44 179.72 2ksy h ILE 83 N 0.20 1.21 -0.19 4.05 1.08 -0.38 -1.92 117.51 121.56 2ksy h ILE 83 Ca -0.09 -1.04 -0.01 0.00 -0.39 0.00 0.00 64.86 63.33 2ksy h ILE 83 Cb 1.66 1.88 -0.01 0.00 -3.07 0.00 0.00 36.82 37.28 2ksy h ILE 83 CO 0.17 0.25 0.07 -0.37 -0.69 0.00 0.00 178.15 177.59 2ksy h VAL 84 N -0.57 1.08 -0.24 1.67 -1.51 -1.55 0.38 116.25 115.51 2ksy h VAL 84 Ca -0.01 -0.24 -0.07 0.00 -1.23 0.00 0.00 66.70 65.15 2ksy h VAL 84 Cb 0.49 0.86 -0.01 0.00 -2.13 0.00 0.00 31.29 30.49 2ksy h VAL 84 CO 0.02 0.09 -0.14 0.22 -1.23 0.00 0.00 177.57 176.52 2ksy h TYR 85 N 0.26 0.43 0.09 5.19 3.20 -1.21 -1.64 116.97 123.27 2ksy h TYR 85 Ca 0.07 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2ksy h TYR 85 Cb 0.06 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.21 2ksy h TYR 85 CO 0.00 0.54 -0.04 0.35 -1.64 0.00 0.00 178.16 177.37 2ksy h PHE 86 N 0.37 -0.11 0.00 -3.82 3.04 -0.10 -1.59 116.94 114.73 2ksy h PHE 86 Ca 0.07 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.99 2ksy h PHE 86 Cb 0.48 0.04 -0.00 0.00 2.56 0.00 0.00 35.95 39.02 2ksy h PHE 86 CO 0.01 0.02 -0.14 -0.07 -2.02 0.00 0.00 178.31 176.12 2ksy h LEU 87 N -0.21 0.00 -1.04 0.59 3.38 -1.28 -1.39 115.31 115.37 2ksy h LEU 87 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2ksy h LEU 87 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2ksy h LEU 87 CO 0.02 0.14 -0.43 1.23 0.09 0.00 0.00 178.44 179.49 2ksy h GLY 88 N 0.46 0.00 1.01 0.83 0.00 -0.74 -2.64 103.07 101.98 2ksy h GLY 88 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 2ksy h GLY 88 CO 0.02 0.00 -0.75 1.41 0.00 0.00 0.00 176.54 177.21 2ksy h LEU 89 N 0.00 0.75 -1.06 3.11 3.38 -0.30 -1.14 115.31 120.05 2ksy h LEU 89 Ca -0.00 -0.70 -0.05 0.00 0.09 0.00 0.00 57.88 57.21 2ksy h LEU 89 Cb 0.86 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2ksy h LEU 89 CO 0.06 1.35 0.08 -0.07 0.09 0.00 0.00 178.44 179.94 2ksy h LEU 90 N 0.22 0.70 0.06 1.67 3.38 -1.42 -3.22 115.31 116.71 2ksy h LEU 90 Ca -0.08 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 2ksy h LEU 90 Cb 1.42 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2ksy h LEU 90 CO 0.15 0.72 -0.03 0.00 0.09 0.00 0.00 178.44 179.38 2ksy h ALA 91 N 1.37 -0.08 0.00 1.53 0.00 -1.51 -3.43 119.26 117.15 2ksy h ALA 91 Ca 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2ksy h ALA 91 Cb 0.32 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2ksy h ALA 91 CO 0.00 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.55 2ksy n GLY 92 N 1.25 0.70 3.82 0.00 0.00 -0.45 -4.06 105.19 106.45 2ksy n GLY 92 Ca -0.07 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 2.91 0.73 0.99 1.43 -1.08 -5.07 118.68 118.59 2ksy s LEU 93 Ca 0.00 1.44 -0.04 0.00 -1.03 0.00 0.00 54.13 54.50 2ksy s LEU 93 Cb 0.00 -4.22 0.11 0.00 0.03 0.00 0.00 46.19 42.11 2ksy s LEU 93 CO 0.00 -1.59 1.02 -1.81 0.23 0.00 0.00 176.35 174.20 2ksy s ASP 94 N -3.92 4.37 0.37 2.29 1.11 -1.26 -4.89 116.67 114.75 2ksy s ASP 94 Ca 0.59 -0.05 0.04 0.00 0.18 0.00 0.00 52.55 53.31 2ksy s ASP 94 Cb -0.14 -0.40 0.72 0.00 1.07 0.00 0.00 42.92 44.17 2ksy s ASP 94 CO 0.54 -1.85 2.02 0.28 1.18 0.00 0.00 175.17 177.34 2ksy h SER 95 N -0.64 0.60 -0.05 0.27 0.02 -2.00 -1.90 113.55 109.85 2ksy h SER 95 Ca -0.40 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.45 2ksy h SER 95 Cb 1.28 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2ksy h SER 95 CO 0.46 0.46 -0.27 0.08 -1.14 0.00 0.00 176.83 176.41 2ksy h ARG 96 N 0.70 0.27 -0.97 3.45 0.11 -2.00 -2.94 114.38 113.00 2ksy h ARG 96 Ca 0.19 -0.22 0.07 0.00 0.10 0.00 0.00 59.98 60.11 2ksy h ARG 96 Cb -0.04 0.05 -0.07 0.00 1.11 0.00 0.00 29.97 31.02 2ksy h ARG 96 CO -0.04 0.88 0.62 0.93 0.10 0.00 0.00 179.97 182.46 2ksy h GLU 97 N -0.27 1.08 0.03 0.08 5.08 -1.87 -2.28 114.58 116.41 2ksy h GLU 97 Ca -0.02 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2ksy h GLU 97 Cb 0.93 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2ksy h GLU 97 CO 0.06 0.71 -0.01 0.74 -1.00 0.00 0.00 179.01 179.51 2ksy h PHE 98 N 1.11 -0.03 -0.49 4.33 0.04 -1.40 -2.47 116.94 118.02 2ksy h PHE 98 Ca 0.42 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.33 2ksy h PHE 98 Cb 0.20 0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 2ksy h PHE 98 CO -0.01 0.11 0.35 0.78 -0.60 0.00 0.00 178.31 178.94 2ksy h GLY 99 N -0.17 0.07 0.56 -1.45 0.00 -1.25 -0.08 103.07 100.76 2ksy h GLY 99 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 2ksy h GLY 99 CO 0.01 0.01 -0.14 -2.22 0.00 0.00 0.00 176.54 174.19 2ksy h ILE 100 N 0.05 1.44 -0.07 2.60 2.04 -1.06 -2.36 117.51 120.15 2ksy h ILE 100 Ca 0.24 -1.51 -0.02 0.00 1.00 0.00 0.00 64.86 64.57 2ksy h ILE 100 Cb 0.88 2.30 -0.00 0.00 -0.74 0.00 0.00 36.82 39.26 2ksy h ILE 100 CO -0.01 0.42 -0.02 0.58 0.00 0.00 0.00 178.15 179.11 2ksy h VAL 101 N -0.33 1.30 -0.31 1.67 2.07 -0.94 -2.63 116.25 117.07 2ksy h VAL 101 Ca -0.00 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.57 2ksy h VAL 101 Cb 0.75 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 2ksy h VAL 101 CO 0.03 0.26 0.18 0.40 0.02 0.00 0.00 177.57 178.46 2ksy h ILE 102 N -0.21 1.03 -0.60 4.57 1.08 -1.15 -2.29 117.51 119.94 2ksy h ILE 102 Ca 0.02 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 2ksy h ILE 102 Cb 0.43 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 34.78 2ksy h ILE 102 CO 0.01 0.07 0.35 0.00 -0.69 0.00 0.00 178.15 177.88 2ksy h THR 103 N 0.37 1.17 -0.09 -0.27 1.03 -1.46 -2.29 112.91 111.37 2ksy h THR 103 Ca 0.12 -0.40 0.03 0.00 -0.01 0.00 0.00 66.41 66.15 2ksy h THR 103 Cb 0.01 0.34 -0.03 0.00 -1.07 0.00 0.00 68.15 67.40 2ksy h THR 103 CO -0.06 0.19 -0.07 0.25 -0.01 0.00 0.00 175.52 175.82 2ksy h LEU 104 N 0.83 -0.22 -1.86 0.00 7.12 -1.03 -1.19 115.31 118.96 2ksy h LEU 104 Ca 0.22 0.05 0.02 0.00 0.13 0.00 0.00 57.88 58.29 2ksy h LEU 104 Cb -0.01 0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.22 2ksy h LEU 104 CO -0.04 -0.09 0.13 0.78 -0.13 0.00 0.00 178.44 179.09 2ksy h ASN 105 N -0.08 0.16 -0.34 1.25 2.35 -1.12 -1.99 115.58 115.82 2ksy h ASN 105 Ca 0.06 -0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.85 2ksy h ASN 105 Cb 0.16 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 2ksy h ASN 105 CO -0.14 0.11 0.11 0.74 -1.65 0.00 0.00 177.43 176.60 2ksy h THR 106 N 0.19 0.89 -0.74 2.81 2.02 -0.68 0.01 112.91 117.41 2ksy h THR 106 Ca 0.08 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2ksy h THR 106 Cb 0.09 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 2ksy h THR 106 CO -0.01 0.05 0.44 0.58 0.37 0.00 0.00 175.52 176.94 2ksy h VAL 107 N 0.25 1.21 -0.50 3.16 2.07 -1.09 -1.69 116.25 119.66 2ksy h VAL 107 Ca 0.15 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.22 2ksy h VAL 107 Cb 0.13 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 2ksy h VAL 107 CO -0.16 0.23 0.27 0.58 0.02 0.00 0.00 177.57 178.50 2ksy h VAL 108 N 1.02 0.99 -0.30 2.57 2.07 -0.99 -1.13 116.25 120.48 2ksy h VAL 108 Ca 0.27 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 2ksy h VAL 108 Cb -0.02 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2ksy h VAL 108 CO -0.05 0.10 -0.09 0.24 0.02 0.00 0.00 177.57 177.78 2ksy h MET 109 N 0.52 0.58 -0.93 1.57 2.86 -0.74 -2.82 114.93 115.97 2ksy h MET 109 Ca 0.21 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2ksy h MET 109 Cb 0.10 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 2ksy h MET 109 CO -0.14 0.79 0.58 1.25 1.06 0.00 0.00 176.91 180.45 2ksy h LEU 110 N 0.34 1.11 0.36 1.22 5.85 -1.10 0.16 115.31 123.26 2ksy h LEU 110 Ca 0.07 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2ksy h LEU 110 Cb 0.59 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2ksy h LEU 110 CO 0.03 0.84 -0.24 0.00 -0.34 0.00 0.00 178.44 178.73 2ksy h ALA 111 N 1.36 -0.58 -0.14 1.25 0.00 -1.12 -2.61 119.26 117.41 2ksy h ALA 111 Ca 0.34 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2ksy h ALA 111 Cb -0.08 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2ksy h ALA 111 CO -0.07 -0.84 -0.25 0.78 0.00 0.00 0.00 179.25 178.87 2ksy h GLY 112 N -0.59 0.27 0.00 0.00 0.00 -1.29 -1.07 103.07 100.39 2ksy h GLY 112 Ca -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2ksy h GLY 112 CO 0.02 0.19 0.00 0.33 0.00 0.00 0.00 176.54 177.08 2ksy n PHE 113 N -4.16 0.00 0.29 5.60 -0.00 0.54 -2.16 117.46 117.56 2ksy n PHE 113 Ca -0.01 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 57.60 2ksy n PHE 113 Cb 0.36 -0.43 0.86 0.00 -0.00 0.00 0.00 39.48 40.27 2ksy n PHE 113 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2ksy h ALA 114 N -1.69 1.16 -0.36 3.13 0.00 -1.54 -3.00 119.26 116.96 2ksy h ALA 114 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2ksy h ALA 114 Cb 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 2ksy h ALA 114 CO 0.00 0.07 -0.04 0.78 0.00 0.00 0.00 179.25 180.07 2ksy h GLY 115 N 0.84 0.32 2.00 0.00 0.00 -0.67 -0.71 103.07 104.84 2ksy h GLY 115 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2ksy h GLY 115 CO 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 176.54 176.44 2ksy h ALA 116 N 1.34 1.00 -0.57 3.60 0.00 -1.32 -3.16 119.26 120.15 2ksy h ALA 116 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2ksy h ALA 116 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2ksy h ALA 116 CO -0.33 0.00 0.00 -0.12 0.00 0.00 0.00 179.25 178.80 2ksy n MET 117 N -2.80 4.72 -2.34 0.00 0.00 -0.41 -4.83 117.12 111.47 2ksy n MET 117 Ca 0.04 -3.05 -0.39 0.00 0.00 0.00 0.00 57.70 54.30 2ksy n MET 117 Cb 0.45 -2.22 -0.03 0.00 0.00 0.00 0.00 33.22 31.42 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 -2.65 3.23 -1.33 1.12 -7.23 -0.41 -4.93 120.40 108.20 2ksy s VAL 118 Ca 0.53 1.07 0.09 0.00 -1.81 0.00 0.00 61.98 61.86 2ksy s VAL 118 Cb 0.40 -3.62 0.35 0.00 0.56 0.00 0.00 36.38 34.08 2ksy s VAL 118 CO 0.16 0.13 1.18 -0.81 -0.31 0.00 0.00 175.10 175.45 2ksy n PRO 119 N 0.29 2.34 0.00 4.82 -0.04 -1.26 -4.90 135.00 136.24 2ksy n PRO 119 Ca 0.03 -1.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.10 2ksy n PRO 119 Cb 0.46 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.69 1.30 0.03 0.55 0.00 -1.26 -5.02 105.19 101.48 2ksy n GLY 120 Ca 0.13 0.37 0.03 0.00 0.00 0.00 0.00 46.02 46.55 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 1.30 0.29 -0.61 -6.64 -1.26 -4.66 119.36 107.77 2ksy n ILE 121 Ca 0.00 -1.43 0.18 0.00 -1.77 0.00 0.00 62.75 59.73 2ksy n ILE 121 Cb 0.00 0.25 0.89 0.00 -1.44 0.00 0.00 39.64 39.34 2ksy n ILE 121 CO 0.00 0.00 0.00 -0.33 -1.77 0.00 0.00 176.55 174.45 2ksy h GLU 122 N 0.02 0.00 -0.78 6.28 5.08 -1.94 -2.77 114.58 120.47 2ksy h GLU 122 Ca 0.00 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.59 2ksy h GLU 122 Cb 0.67 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 2ksy h GLU 122 CO 0.00 0.00 0.66 0.07 -1.00 0.00 0.00 179.01 178.74 2ksy h ARG 123 N 0.00 0.00 -0.10 2.33 0.11 -1.83 0.24 114.38 115.13 2ksy h ARG 123 Ca 0.00 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.94 2ksy h ARG 123 Cb 0.12 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 2ksy h ARG 123 CO 0.00 0.00 -0.57 1.88 0.10 0.00 0.00 179.97 181.38 2ksy h TYR 124 N 0.00 0.39 0.18 4.08 0.05 -1.85 -2.36 116.97 117.47 2ksy h TYR 124 Ca 0.37 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 59.00 2ksy h TYR 124 Cb 1.69 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 39.35 2ksy h TYR 124 CO 0.00 0.81 -0.08 0.00 -1.05 0.00 0.00 178.16 177.83 2ksy h ALA 125 N 1.16 -0.24 -0.32 3.88 0.00 -0.76 -0.86 119.26 122.12 2ksy h ALA 125 Ca -0.00 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.78 2ksy h ALA 125 Cb 1.07 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 2ksy h ALA 125 CO 0.09 -0.28 -0.15 -0.07 0.00 0.00 0.00 179.25 178.85 2ksy h LEU 126 N -0.95 -0.50 -1.43 0.00 4.07 -1.56 0.13 115.31 115.08 2ksy h LEU 126 Ca -0.02 0.12 -0.06 0.00 0.08 0.00 0.00 57.88 58.00 2ksy h LEU 126 Cb 0.47 0.28 -0.01 0.00 1.08 0.00 0.00 40.66 42.48 2ksy h LEU 126 CO 0.04 -0.18 -0.26 0.15 -1.08 0.00 0.00 178.44 177.11 2ksy h PHE 127 N -0.09 0.04 -0.47 1.13 3.57 -1.54 -2.36 116.94 117.23 2ksy h PHE 127 Ca 0.16 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.75 2ksy h PHE 127 Cb 0.34 -0.01 -0.10 0.00 2.79 0.00 0.00 35.95 38.97 2ksy h PHE 127 CO -0.36 0.30 -0.27 0.78 -2.23 0.00 0.00 178.31 176.54 2ksy h GLY 128 N 0.83 -0.02 2.00 2.40 0.00 0.75 0.61 103.07 109.64 2ksy h GLY 128 Ca 0.00 0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.60 2ksy h GLY 128 CO 0.03 -0.21 -0.38 0.00 0.00 0.00 0.00 176.54 175.99 2ksy h MET 129 N -0.16 0.00 -0.49 4.80 -0.00 -1.27 -2.88 114.93 114.92 2ksy h MET 129 Ca 0.21 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.92 2ksy h MET 129 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.08 2ksy h MET 129 CO -0.56 0.38 0.31 0.78 -0.00 0.00 0.00 176.91 177.81 2ksy h GLY 130 N 1.70 0.68 0.66 -3.00 0.00 0.60 0.30 103.07 104.02 2ksy h GLY 130 Ca -0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 2ksy h GLY 130 CO 0.05 0.23 -0.10 0.00 0.00 0.00 0.00 176.54 176.73 2ksy h ALA 131 N 1.19 0.14 -0.65 3.60 0.00 -0.61 -0.98 119.26 121.95 2ksy h ALA 131 Ca 0.18 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.86 2ksy h ALA 131 Cb -0.05 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 2ksy h ALA 131 CO -0.05 -0.02 0.35 0.28 0.00 0.00 0.00 179.25 179.80 2ksy h VAL 132 N -0.18 0.94 -0.42 0.00 2.07 -1.38 -0.53 116.25 116.75 2ksy h VAL 132 Ca 0.02 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 2ksy h VAL 132 Cb 0.61 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2ksy h VAL 132 CO 0.02 0.12 0.09 0.00 0.02 0.00 0.00 177.57 177.82 2ksy h ALA 133 N 1.36 1.37 0.24 1.67 0.00 -0.34 -2.48 119.26 121.07 2ksy h ALA 133 Ca 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2ksy h ALA 133 Cb 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2ksy h ALA 133 CO -0.20 0.45 -0.25 0.35 0.00 0.00 0.00 179.25 179.60 2ksy h PHE 134 N 0.61 -0.67 -0.41 0.00 3.57 0.31 -1.02 116.94 119.33 2ksy h PHE 134 Ca 0.14 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.74 2ksy h PHE 134 Cb 0.25 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 2ksy h PHE 134 CO 0.01 -0.37 0.29 0.82 -2.23 0.00 0.00 178.31 176.83 2ksy h ILE 135 N -0.53 0.85 -0.64 1.41 2.04 -1.20 -0.35 117.51 119.11 2ksy h ILE 135 Ca -0.00 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 2ksy h ILE 135 Cb 0.49 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 2ksy h ILE 135 CO -0.06 0.02 0.28 1.23 0.00 0.00 0.00 178.15 179.62 2ksy h GLY 136 N 0.12 1.00 0.65 5.37 0.00 -0.76 -1.11 103.07 108.34 2ksy h GLY 136 Ca 0.19 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 2ksy h GLY 136 CO -0.02 0.49 -0.08 -2.00 0.00 0.00 0.00 176.54 174.92 2ksy h LEU 137 N 0.88 -0.20 -1.56 3.11 5.85 -0.33 -2.74 115.31 120.33 2ksy h LEU 137 Ca 0.22 -0.26 0.15 0.00 0.84 0.00 0.00 57.88 58.83 2ksy h LEU 137 Cb 0.15 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 2ksy h LEU 137 CO -0.02 0.17 0.51 -0.37 -0.34 0.00 0.00 178.44 178.38 2ksy h VAL 138 N -0.59 0.80 -0.40 1.05 -1.51 -1.33 0.22 116.25 114.50 2ksy h VAL 138 Ca -0.02 -0.15 0.02 0.00 -1.23 0.00 0.00 66.70 65.32 2ksy h VAL 138 Cb 0.44 0.33 -0.03 0.00 -2.13 0.00 0.00 31.29 29.90 2ksy h VAL 138 CO 0.04 0.08 0.22 0.22 -1.23 0.00 0.00 177.57 176.90 2ksy h TYR 139 N 0.43 0.41 -0.72 5.19 3.20 -1.02 -1.82 116.97 122.65 2ksy h TYR 139 Ca 0.37 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.21 2ksy h TYR 139 Cb 0.84 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 2ksy h TYR 139 CO -0.00 0.23 0.25 1.88 -1.64 0.00 0.00 178.16 178.88 2ksy h TYR 140 N 0.45 1.13 -0.05 -3.82 0.05 -0.33 0.42 116.97 114.81 2ksy h TYR 140 Ca 0.16 -0.10 0.01 0.00 0.05 0.00 0.00 58.73 58.86 2ksy h TYR 140 Cb 0.04 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 37.45 2ksy h TYR 140 CO -0.08 0.88 0.05 -0.07 -1.05 0.00 0.00 178.16 177.89 2ksy h LEU 141 N 1.04 0.00 -0.75 3.88 4.07 -0.54 -0.73 115.31 122.28 2ksy h LEU 141 Ca 0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.20 2ksy h LEU 141 Cb 0.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2ksy h LEU 141 CO -0.01 0.00 -0.31 0.52 -1.08 0.00 0.00 178.44 177.55 2ksy n VAL 142 N -3.88 0.00 0.00 1.22 0.31 -0.74 -4.42 118.33 110.82 2ksy n VAL 142 Ca -0.02 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 2ksy n VAL 142 Cb 0.15 1.15 0.00 0.00 -0.91 0.00 0.00 33.84 34.22 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 1.07 0.02 0.35 2.92 0.00 0.14 -4.50 105.19 105.19 2ksy n GLY 143 Ca 0.05 -0.47 0.18 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.71 1.61 0.11 -1.87 -1.78 132.00 129.36 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 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 2ksy h PRO 144 CO 0.00 0.00 0.48 0.52 -0.21 0.00 0.00 178.00 178.79 2ksy h MET 145 N 0.00 0.27 -0.05 1.05 2.86 -1.85 0.23 114.93 117.45 2ksy h MET 145 Ca 0.09 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 2ksy h MET 145 Cb 0.61 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 2ksy h MET 145 CO -0.00 0.18 0.00 1.79 1.06 0.00 0.00 176.91 179.94 2ksy h THR 146 N 0.28 1.24 0.00 2.22 1.35 -1.53 -2.27 112.91 114.20 2ksy h THR 146 Ca 0.35 -0.73 -0.08 0.00 -0.55 0.00 0.00 66.41 65.40 2ksy h THR 146 Cb 0.95 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.99 2ksy h THR 146 CO -0.08 0.20 -0.40 -0.33 -0.25 0.00 0.00 175.52 174.65 2ksy h GLU 147 N -0.20 0.00 -0.17 4.72 4.39 -1.55 -1.80 114.58 119.97 2ksy h GLU 147 Ca 0.01 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 2ksy h GLU 147 Cb 0.31 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2ksy h GLU 147 CO 0.00 0.40 -0.19 1.03 -1.16 0.00 0.00 179.01 179.09 2ksy h SER 148 N 0.00 0.46 0.52 1.42 0.87 -0.92 -3.12 113.55 112.79 2ksy h SER 148 Ca -0.00 -0.49 -0.25 0.00 -1.23 0.00 0.00 61.79 59.81 2ksy h SER 148 Cb 1.05 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 2ksy h SER 148 CO 0.05 0.86 -1.12 0.00 -0.53 0.00 0.00 176.83 176.10 2ksy h ALA 149 N 0.61 0.21 0.00 6.23 0.00 -1.44 -3.05 119.26 121.82 2ksy h ALA 149 Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2ksy h ALA 149 Cb 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2ksy h ALA 149 CO 0.05 0.91 0.00 0.45 0.00 0.00 0.00 179.25 180.66 2ksy n SER 150 N -3.62 0.00 -0.21 0.00 2.88 -0.68 -2.07 113.62 109.93 2ksy n SER 150 Ca -0.08 -0.52 0.02 0.00 -1.33 0.00 0.00 58.87 56.96 2ksy n SER 150 Cb 0.95 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.43 2ksy n SER 150 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ksy n GLN 151 N -0.96 0.58 -0.10 -1.46 6.02 -1.18 -4.85 117.38 115.43 2ksy n GLN 151 Ca 0.11 -1.15 -0.20 0.00 -0.01 0.00 0.00 57.00 55.75 2ksy n GLN 151 Cb 0.05 -0.72 -0.09 0.00 1.02 0.00 0.00 30.24 30.49 2ksy n GLN 151 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2ksy n ARG 152 N -0.29 0.55 -3.89 -1.09 3.00 -0.88 -5.05 116.66 109.01 2ksy n ARG 152 Ca 0.03 0.52 -0.08 0.00 -0.00 0.00 0.00 57.85 58.31 2ksy n ARG 152 Cb 0.57 -1.70 -0.02 0.00 0.00 0.00 0.00 32.46 31.32 2ksy n ARG 152 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2ksy s SER 153 N -6.74 -0.10 0.12 6.15 0.15 -1.26 -5.02 113.70 107.01 2ksy s SER 153 Ca -0.28 -0.85 -0.12 0.00 0.70 0.00 0.00 55.95 55.40 2ksy s SER 153 Cb 0.06 0.73 -0.07 0.00 -1.71 0.00 0.00 66.02 65.03 2ksy s SER 153 CO 0.51 -1.39 1.43 0.77 1.20 0.00 0.00 173.24 175.76 2ksy h SER 154 N 2.05 0.93 0.97 5.45 4.64 -1.96 -3.22 113.55 122.43 2ksy h SER 154 Ca -0.24 -0.50 -0.15 0.00 -0.47 0.00 0.00 61.79 60.43 2ksy h SER 154 Cb 1.25 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 2ksy h SER 154 CO 0.30 1.25 -0.73 1.23 -0.87 0.00 0.00 176.83 178.01 2ksy h GLY 155 N 0.65 0.00 0.84 -0.77 0.00 -1.97 -3.28 103.07 98.54 2ksy h GLY 155 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.45 2ksy h GLY 155 CO 0.10 0.00 0.55 -2.22 0.00 0.00 0.00 176.54 174.97 2ksy h ILE 156 N 0.00 1.01 -0.89 2.60 1.08 -1.86 -2.05 117.51 117.40 2ksy h ILE 156 Ca -0.01 -0.30 0.03 0.00 -0.39 0.00 0.00 64.86 64.19 2ksy h ILE 156 Cb 1.42 0.05 -0.05 0.00 -3.07 0.00 0.00 36.82 35.16 2ksy h ILE 156 CO 0.10 0.16 0.58 0.11 -0.69 0.00 0.00 178.15 178.40 2ksy h LYS 157 N 0.88 1.10 -0.06 2.37 1.57 -1.64 0.84 116.57 121.64 2ksy h LYS 157 Ca 0.38 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 59.06 2ksy h LYS 157 Cb 0.32 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2ksy h LYS 157 CO -0.15 0.73 -0.08 0.77 -0.57 0.00 0.00 179.45 180.15 2ksy h SER 158 N 1.13 0.17 0.37 0.86 0.02 -1.56 -2.34 113.55 112.21 2ksy h SER 158 Ca 0.35 -0.52 -0.08 0.00 -0.84 0.00 0.00 61.79 60.69 2ksy h SER 158 Cb -0.03 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2ksy h SER 158 CO -0.11 0.66 -0.38 -0.07 -1.14 0.00 0.00 176.83 175.79 2ksy h LEU 159 N -0.32 0.02 -0.03 5.07 -0.00 -1.37 -2.75 115.31 115.93 2ksy h LEU 159 Ca 0.01 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 57.82 2ksy h LEU 159 Cb 0.62 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.28 2ksy h LEU 159 CO 0.02 0.40 -0.22 0.22 -0.00 0.00 0.00 178.44 178.86 2ksy h TYR 160 N 0.02 0.28 -0.51 1.13 3.20 -0.84 -2.53 116.97 117.72 2ksy h TYR 160 Ca -0.00 -0.13 -0.04 0.00 3.14 0.00 0.00 58.73 61.69 2ksy h TYR 160 Cb 0.68 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 2ksy h TYR 160 CO 0.00 0.87 0.14 -0.39 -1.64 0.00 0.00 178.16 177.14 2ksy h VAL 161 N -0.38 1.23 -0.03 1.81 -1.51 -1.42 0.29 116.25 116.25 2ksy h VAL 161 Ca -0.02 -0.80 -0.01 0.00 -1.23 0.00 0.00 66.70 64.64 2ksy h VAL 161 Cb 0.90 0.80 -0.00 0.00 -2.13 0.00 0.00 31.29 30.86 2ksy h VAL 161 CO 0.04 0.29 -0.02 -0.09 -1.23 0.00 0.00 177.57 176.57 2ksy h ARG 162 N 0.69 0.07 -0.36 5.19 9.65 -1.60 -2.64 114.38 125.39 2ksy h ARG 162 Ca 0.16 -0.03 -0.08 0.00 -1.10 0.00 0.00 59.98 58.92 2ksy h ARG 162 Cb 0.30 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 2ksy h ARG 162 CO -0.00 0.50 -0.10 -0.07 2.80 0.00 0.00 179.97 183.09 2ksy h LEU 163 N -0.35 0.71 -0.09 3.80 4.07 -1.47 -2.40 115.31 119.58 2ksy h LEU 163 Ca 0.01 -0.37 0.03 0.00 0.08 0.00 0.00 57.88 57.62 2ksy h LEU 163 Cb 0.48 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 2ksy h LEU 163 CO 0.01 0.92 -0.08 -0.09 -1.08 0.00 0.00 178.44 178.12 2ksy h ARG 164 N 0.49 -0.09 -0.81 1.13 1.12 -1.00 -0.17 114.38 115.04 2ksy h ARG 164 Ca 0.09 0.01 0.06 0.00 -1.11 0.00 0.00 59.98 59.02 2ksy h ARG 164 Cb 0.62 0.02 -0.06 0.00 -0.01 0.00 0.00 29.97 30.54 2ksy h ARG 164 CO 0.04 -0.06 0.50 -0.91 -3.11 0.00 0.00 179.97 176.43 2ksy h ASN 165 N -0.09 0.78 0.14 -3.80 -0.26 -1.46 -2.15 115.58 108.75 2ksy h ASN 165 Ca 0.06 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 2ksy h ASN 165 Cb 0.18 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 2ksy h ASN 165 CO -0.14 0.51 -0.12 -0.07 -1.06 0.00 0.00 177.43 176.54 2ksy h LEU 166 N 0.92 -0.31 -0.13 1.61 3.38 -0.85 -2.63 115.31 117.29 2ksy h LEU 166 Ca 0.35 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.39 2ksy h LEU 166 Cb 0.15 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 2ksy h LEU 166 CO -0.17 -0.19 -0.15 0.74 0.09 0.00 0.00 178.44 178.76 2ksy h THR 167 N -0.28 0.59 -0.98 0.22 2.02 -0.61 -2.38 112.91 111.49 2ksy h THR 167 Ca -0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 2ksy h THR 167 Cb 0.26 0.59 -0.07 0.00 -1.74 0.00 0.00 68.15 67.19 2ksy h THR 167 CO -0.02 0.00 0.63 0.58 0.37 0.00 0.00 175.52 177.08 2ksy h VAL 168 N -0.19 1.08 0.20 3.16 2.07 -1.36 -1.82 116.25 119.40 2ksy h VAL 168 Ca 0.09 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2ksy h VAL 168 Cb 0.32 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 2ksy h VAL 168 CO -0.24 0.21 -0.10 0.58 0.02 0.00 0.00 177.57 178.04 2ksy h VAL 169 N 1.14 0.00 -0.33 2.57 2.07 -1.06 -2.28 116.25 118.36 2ksy h VAL 169 Ca 0.42 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.82 2ksy h VAL 169 Cb 0.17 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 2ksy h VAL 169 CO -0.17 0.00 0.22 0.17 0.02 0.00 0.00 177.57 177.81 2ksy h LEU 170 N -0.40 0.37 -0.62 2.57 8.10 -1.52 -1.80 115.31 122.01 2ksy h LEU 170 Ca -0.03 -0.01 -0.15 0.00 0.11 0.00 0.00 57.88 57.81 2ksy h LEU 170 Cb 0.21 -0.09 -0.02 0.00 -0.44 0.00 0.00 40.66 40.32 2ksy h LEU 170 CO 0.05 0.27 -0.68 -0.50 -4.11 0.00 0.00 178.44 173.46 2ksy h TRP 171 N 0.44 0.06 0.00 0.17 4.06 -1.43 -2.60 115.95 116.65 2ksy h TRP 171 Ca 0.12 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.05 2ksy h TRP 171 Cb -0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.12 2ksy h TRP 171 CO -0.00 0.71 0.00 0.00 -3.56 0.00 0.00 178.44 175.59 2ksy n ALA 172 N -2.42 1.98 0.06 1.49 0.00 -0.69 -2.21 120.51 118.72 2ksy n ALA 172 Ca -0.01 -0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.37 2ksy n ALA 172 Cb 0.67 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 2ksy n ALA 172 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2ksy h ILE 173 N 0.00 0.44 -0.22 0.00 1.08 -1.34 -3.38 117.51 114.08 2ksy h ILE 173 Ca 0.00 -1.81 0.05 0.00 -0.39 0.00 0.00 64.86 62.71 2ksy h ILE 173 Cb 0.25 1.97 -0.05 0.00 -3.07 0.00 0.00 36.82 35.93 2ksy h ILE 173 CO 0.00 0.25 -0.07 1.88 -0.69 0.00 0.00 178.15 179.51 2ksy h TYR 174 N 0.00 -0.17 -1.10 1.37 -1.99 -1.47 -1.56 116.97 112.05 2ksy h TYR 174 Ca -0.11 0.02 0.32 0.00 2.00 0.00 0.00 58.73 60.96 2ksy h TYR 174 Cb 1.44 0.11 -0.04 0.00 2.00 0.00 0.00 36.73 40.24 2ksy h TYR 174 CO 0.00 -0.12 0.89 -1.00 -0.00 0.00 0.00 178.16 177.93 2ksy h PRO 175 N -0.03 0.00 0.00 4.88 0.13 -1.74 0.48 132.00 135.72 2ksy h PRO 175 Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 2ksy h PRO 175 Cb 0.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.33 2ksy h PRO 175 CO -0.25 0.00 -0.04 0.74 -0.23 0.00 0.00 178.00 178.23 2ksy h PHE 176 N 0.00 0.00 -0.75 1.56 0.04 -1.54 -2.74 116.94 113.50 2ksy h PHE 176 Ca 0.52 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.30 2ksy h PHE 176 Cb 2.29 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 40.40 2ksy h PHE 176 CO 0.00 1.02 0.50 0.82 -0.60 0.00 0.00 178.31 180.04 2ksy h ILE 177 N -1.00 1.17 -0.07 -0.55 1.08 -0.63 0.21 117.51 117.73 2ksy h ILE 177 Ca -0.01 -0.34 -0.11 0.00 -0.39 0.00 0.00 64.86 64.01 2ksy h ILE 177 Cb 1.01 0.09 0.01 0.00 -3.07 0.00 0.00 36.82 34.86 2ksy h ILE 177 CO -0.00 0.18 -0.37 -0.25 -0.69 0.00 0.00 178.15 177.02 2ksy h TRP 178 N 1.00 0.50 0.24 1.37 7.01 -1.23 0.51 115.95 125.34 2ksy h TRP 178 Ca 0.28 -0.22 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 2ksy h TRP 178 Cb -0.08 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 26.91 2ksy h TRP 178 CO -0.00 0.98 -0.11 1.25 -2.79 0.00 0.00 178.44 177.76 2ksy h LEU 179 N -0.12 -0.27 -0.18 0.65 7.12 -1.16 -1.27 115.31 120.08 2ksy h LEU 179 Ca -0.03 -0.17 -0.14 0.00 0.13 0.00 0.00 57.88 57.68 2ksy h LEU 179 Cb 1.03 0.07 0.00 0.00 -0.53 0.00 0.00 40.66 41.23 2ksy h LEU 179 CO 0.08 0.02 -0.43 -0.07 -0.13 0.00 0.00 178.44 177.91 2ksy h LEU 180 N -0.57 0.69 -9.91 2.25 3.38 -0.72 0.35 115.31 110.78 2ksy h LEU 180 Ca -0.03 -0.57 -0.38 0.00 0.09 0.00 0.00 57.88 56.99 2ksy h LEU 180 Cb 0.42 -0.20 0.21 0.00 0.09 0.00 0.00 40.66 41.18 2ksy h LEU 180 CO 0.05 1.13 -0.19 0.61 0.09 0.00 0.00 178.44 180.13 2ksy n GLY 181 N 0.46 -3.07 0.30 0.83 0.00 0.17 -0.27 105.19 103.60 2ksy n GLY 181 Ca -0.06 -1.39 0.10 0.00 0.00 0.00 0.00 46.02 44.66 2ksy n GLY 181 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ksy h PRO 182 N -3.15 0.30 0.00 1.61 0.11 -1.83 0.97 132.00 130.00 2ksy h PRO 182 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2ksy h PRO 182 Cb 1.29 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2ksy h PRO 182 CO 0.34 0.20 0.34 -1.35 -0.21 0.00 0.00 178.00 177.32 2ksy h PRO 183 N 0.31 0.00 0.00 1.05 0.11 -1.89 -3.35 132.00 128.22 2ksy h PRO 183 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 2ksy h PRO 183 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2ksy h PRO 183 CO -0.55 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.65 2ksy n GLY 184 N -1.26 0.17 0.00 -0.55 0.00 0.15 -4.30 105.19 99.39 2ksy n GLY 184 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.82 0.00 -2.91 1.61 0.24 0.11 -5.00 118.33 111.56 2ksy n VAL 185 Ca 0.00 -0.26 -0.01 0.00 -2.04 0.00 0.00 64.34 62.03 2ksy n VAL 185 Cb 0.00 1.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 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 -0.21 -2.91 -0.11 2.33 0.00 0.62 -4.90 120.51 115.33 2ksy n ALA 186 Ca 0.00 0.33 -0.24 0.00 0.00 0.00 0.00 53.44 53.53 2ksy n ALA 186 Cb 0.07 -0.91 -0.11 0.00 0.00 0.00 0.00 19.45 18.50 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 0.88 1.92 0.00 0.00 4.77 0.26 -4.90 117.00 119.94 2ksy n LEU 187 Ca 0.00 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 2ksy n LEU 187 Cb 0.21 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 2ksy n LEU 187 CO 0.29 0.37 0.00 0.18 -1.33 0.00 0.00 177.39 176.90 2ksy n LEU 188 N -4.34 0.00 -3.58 2.23 4.77 -1.26 -5.12 117.00 109.70 2ksy n LEU 188 Ca -0.37 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.46 2ksy n LEU 188 Cb 0.75 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.77 2ksy n LEU 188 CO 0.16 0.00 0.49 0.28 -1.33 0.00 0.00 177.39 176.99 2ksy s THR 189 N 0.26 0.00 0.31 -5.08 -1.32 -1.26 -5.05 115.64 103.50 2ksy s THR 189 Ca 0.00 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.56 2ksy s THR 189 Cb 0.00 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.30 2ksy s THR 189 CO 0.00 0.00 1.74 -0.65 -2.21 0.00 0.00 174.62 173.50 2ksy h PRO 190 N 3.89 0.59 -0.58 7.08 0.11 -1.99 -0.33 132.00 140.78 2ksy h PRO 190 Ca -0.27 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.82 2ksy h PRO 190 Cb 1.15 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 2ksy h PRO 190 CO 0.22 0.39 0.36 1.79 -0.21 0.00 0.00 178.00 180.55 2ksy h THR 191 N 0.61 1.08 -0.08 -1.15 1.35 -1.98 -0.66 112.91 112.08 2ksy h THR 191 Ca 0.62 -0.24 -0.08 0.00 -0.55 0.00 0.00 66.41 66.15 2ksy h THR 191 Cb 1.13 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 2ksy h THR 191 CO -0.46 0.13 -0.27 0.58 -0.25 0.00 0.00 175.52 175.25 2ksy h VAL 192 N 0.71 1.42 -0.70 6.82 2.07 -1.59 -2.38 116.25 122.61 2ksy h VAL 192 Ca 0.23 -1.64 0.09 0.00 0.82 0.00 0.00 66.70 66.19 2ksy h VAL 192 Cb -0.00 2.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 2ksy h VAL 192 CO -0.09 0.47 0.35 -0.78 0.02 0.00 0.00 177.57 177.55 2ksy h ASP 193 N -0.15 0.47 -0.11 0.57 3.58 -0.98 -1.33 116.42 118.47 2ksy h ASP 193 Ca -0.01 0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.37 2ksy h ASP 193 Cb 0.90 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 2ksy h ASP 193 CO 0.06 0.28 -0.33 0.58 -2.88 0.00 0.00 179.24 176.95 2ksy h VAL 194 N 0.61 1.29 -0.36 2.25 2.07 -1.16 -2.04 116.25 118.91 2ksy h VAL 194 Ca 0.34 -1.45 0.01 0.00 0.82 0.00 0.00 66.70 66.42 2ksy h VAL 194 Cb 0.33 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2ksy h VAL 194 CO -0.25 0.46 0.21 0.00 0.02 0.00 0.00 177.57 178.01 2ksy h ALA 195 N 1.13 0.45 -0.46 1.67 0.00 -0.72 0.16 119.26 121.49 2ksy h ALA 195 Ca 0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2ksy h ALA 195 Cb 0.82 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2ksy h ALA 195 CO 0.07 -0.14 -0.16 -0.07 0.00 0.00 0.00 179.25 178.95 2ksy h LEU 196 N 0.42 0.94 0.78 0.00 3.38 -1.31 -1.33 115.31 118.19 2ksy h LEU 196 Ca 0.14 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2ksy h LEU 196 Cb 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2ksy h LEU 196 CO -0.07 1.10 -0.42 0.40 0.09 0.00 0.00 178.44 179.55 2ksy h ILE 197 N 0.76 0.15 -0.87 1.22 1.08 -1.02 0.35 117.51 119.18 2ksy h ILE 197 Ca 0.11 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.77 2ksy h ILE 197 Cb 0.72 0.15 -0.06 0.00 -3.07 0.00 0.00 36.82 34.56 2ksy h ILE 197 CO 0.05 0.00 0.58 0.58 -0.69 0.00 0.00 178.15 178.67 2ksy h VAL 198 N -1.10 0.70 -0.12 1.67 2.07 -0.71 0.32 116.25 119.07 2ksy h VAL 198 Ca -0.10 -0.14 -0.13 0.00 0.82 0.00 0.00 66.70 67.15 2ksy h VAL 198 Cb 0.87 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2ksy h VAL 198 CO 0.15 0.07 -0.49 0.22 0.02 0.00 0.00 177.57 177.55 2ksy h TYR 199 N 0.41 0.38 -0.42 1.57 3.20 -0.42 -2.22 116.97 119.48 2ksy h TYR 199 Ca 0.45 -0.12 -0.13 0.00 3.14 0.00 0.00 58.73 62.07 2ksy h TYR 199 Cb 1.10 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 2ksy h TYR 199 CO -0.00 0.74 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.95 2ksy h LEU 200 N 0.25 0.95 -0.76 2.82 3.38 0.35 -1.67 115.31 120.64 2ksy h LEU 200 Ca 0.01 -0.42 -0.13 0.00 0.09 0.00 0.00 57.88 57.43 2ksy h LEU 200 Cb 0.95 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2ksy h LEU 200 CO 0.08 1.16 -0.57 0.44 0.09 0.00 0.00 178.44 179.63 2ksy h ASP 201 N 0.74 0.16 0.23 -0.43 3.32 -1.30 -2.76 116.42 116.38 2ksy h ASP 201 Ca 0.09 -0.09 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 2ksy h ASP 201 Cb 0.82 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 2ksy h ASP 201 CO 0.07 0.70 -0.54 -0.07 -1.72 0.00 0.00 179.24 177.68 2ksy h LEU 202 N 0.11 0.37 -0.06 1.55 3.38 -1.22 -3.23 115.31 116.22 2ksy h LEU 202 Ca -0.00 -0.19 -0.25 0.00 0.09 0.00 0.00 57.88 57.52 2ksy h LEU 202 Cb 1.04 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.70 2ksy h LEU 202 CO 0.08 0.84 -1.06 1.62 0.09 0.00 0.00 178.44 180.01 2ksy h VAL 203 N 0.26 1.40 0.00 1.22 3.04 -1.22 -1.81 116.25 119.14 2ksy h VAL 203 Ca 0.01 -2.58 0.00 0.00 -1.01 0.00 0.00 66.70 63.12 2ksy h VAL 203 Cb 1.03 2.58 0.00 0.00 -2.01 0.00 0.00 31.29 32.89 2ksy h VAL 203 CO 0.09 0.77 0.00 0.41 -1.01 0.00 0.00 177.57 177.83 2ksy n THR 204 N -3.71 0.00 0.00 3.17 -1.04 -1.05 -0.73 114.28 110.92 2ksy n THR 204 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 2ksy n THR 204 Cb 0.90 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 2ksy n THR 204 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2ksy n VAL 206 N -0.76 0.00 0.42 12.58 0.31 -0.69 -2.25 118.33 127.93 2ksy n VAL 206 Ca 0.07 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.22 2ksy n VAL 206 Cb 0.03 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.88 2ksy n VAL 206 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2ksy h GLY 207 N 0.00 -1.12 0.37 2.92 0.00 -0.80 -1.25 103.07 103.19 2ksy h GLY 207 Ca 0.00 0.41 0.06 0.00 0.00 0.00 0.00 47.33 47.81 2ksy h GLY 207 CO 0.00 -0.41 -0.08 0.74 0.00 0.00 0.00 176.54 176.80 2ksy h PHE 208 N -1.21 -0.16 -0.64 5.60 -1.00 -1.35 0.66 116.94 118.84 2ksy h PHE 208 Ca -0.11 0.03 0.16 0.00 2.81 0.00 0.00 57.97 60.86 2ksy h PHE 208 Cb 0.83 0.12 -0.03 0.00 3.61 0.00 0.00 35.95 40.48 2ksy h PHE 208 CO -0.00 -0.13 0.45 0.78 -1.61 0.00 0.00 178.31 177.79 2ksy h GLY 209 N 0.00 0.24 0.48 -1.45 0.00 -1.75 1.70 103.07 102.29 2ksy h GLY 209 Ca 0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 2ksy h GLY 209 CO -0.33 0.02 -0.09 0.74 0.00 0.00 0.00 176.54 176.89 2ksy h PHE 210 N 0.14 0.14 0.00 5.60 0.04 0.34 0.18 116.94 123.38 2ksy h PHE 210 Ca 0.31 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.99 2ksy h PHE 210 Cb 1.03 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 39.15 2ksy h PHE 210 CO -0.00 0.70 -0.13 0.82 -0.60 0.00 0.00 178.31 179.10 2ksy h ILE 211 N -0.46 0.82 -0.32 -0.55 1.08 -0.06 -1.44 117.51 116.58 2ksy h ILE 211 Ca -0.00 -0.51 -0.08 0.00 -0.39 0.00 0.00 64.86 63.88 2ksy h ILE 211 Cb 0.71 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.75 2ksy h ILE 211 CO 0.02 0.13 -0.13 0.00 -0.69 0.00 0.00 178.15 177.48 2ksy h ALA 212 N 1.87 0.44 0.24 1.87 0.00 0.28 -2.39 119.26 121.58 2ksy h ALA 212 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2ksy h ALA 212 Cb 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2ksy h ALA 212 CO 0.02 0.32 -0.12 -0.07 0.00 0.00 0.00 179.25 179.40 2ksy h LEU 213 N 0.41 -0.27 0.09 0.00 3.38 0.02 -2.40 115.31 116.53 2ksy h LEU 213 Ca 0.07 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2ksy h LEU 213 Cb 0.64 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 2ksy h LEU 213 CO 0.04 0.20 -0.26 -0.78 0.09 0.00 0.00 178.44 177.73 2ksy h ASP 214 N -0.85 -0.76 0.60 -0.43 3.58 -1.38 0.17 116.42 117.34 2ksy h ASP 214 Ca -0.03 0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 2ksy h ASP 214 Cb 0.51 0.29 -0.00 0.00 1.72 0.00 0.00 39.33 41.85 2ksy h ASP 214 CO 0.05 -0.35 -0.36 0.00 -2.88 0.00 0.00 179.24 175.70 2ksy h ALA 215 N 0.30 -0.92 -0.55 -0.78 0.00 -1.55 -2.47 119.26 113.28 2ksy h ALA 215 Ca 0.04 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.83 2ksy h ALA 215 Cb 0.50 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2ksy h ALA 215 CO -0.17 -1.03 0.36 0.00 0.00 0.00 0.00 179.25 178.41 2ksy h ALA 216 N -0.57 1.90 -0.79 0.00 0.00 -1.36 -1.34 119.26 117.09 2ksy h ALA 216 Ca -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2ksy h ALA 216 Cb 0.73 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2ksy h ALA 216 CO 0.08 0.01 0.47 0.00 0.00 0.00 0.00 179.25 179.80 2ksy h ALA 217 N 1.71 1.01 -0.26 0.00 0.00 -0.34 -2.11 119.26 119.27 2ksy h ALA 217 Ca 0.24 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2ksy h ALA 217 Cb 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2ksy h ALA 217 CO -0.07 0.49 -0.22 1.15 0.00 0.00 0.00 179.25 180.60 2ksy h THR 218 N 1.09 1.26 -0.40 0.00 2.02 -0.81 0.64 112.91 116.71 2ksy h THR 218 Ca 0.28 -1.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.25 2ksy h THR 218 Cb -0.02 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2ksy h THR 218 CO -0.05 0.39 0.24 -0.07 0.37 0.00 0.00 175.52 176.40 2ksy h LEU 219 N 0.44 0.48 0.00 2.58 3.38 -0.94 -0.65 115.31 120.60 2ksy h LEU 219 Ca 0.07 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2ksy h LEU 219 Cb 0.63 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2ksy h LEU 219 CO 0.04 0.39 -0.35 0.03 0.09 0.00 0.00 178.44 178.64 2ksy h ARG 220 N 0.53 0.00 0.00 1.13 -0.00 -1.35 -2.76 114.38 111.93 2ksy h ARG 220 Ca 0.14 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.49 2ksy h ARG 220 Cb -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 29.95 2ksy h ARG 220 CO -0.03 0.01 -0.63 0.00 0.00 0.00 0.00 179.97 179.32 2ksy h ALA 221 N 1.99 0.69 0.00 0.04 0.00 -0.50 -3.25 119.26 118.23 2ksy h ALA 221 Ca -0.00 -0.57 -0.22 0.00 0.00 0.00 0.00 54.91 54.12 2ksy h ALA 221 Cb 1.01 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 2ksy h ALA 221 CO 0.00 0.78 -1.68 -0.85 0.00 0.00 0.00 179.25 177.51 2ksy n GLU 222 N -3.39 0.64 -1.20 0.00 0.28 -0.28 -5.05 120.64 111.62 2ksy n GLU 222 Ca 0.01 0.19 0.16 0.00 -0.16 0.00 0.00 57.16 57.35 2ksy n GLU 222 Cb 0.73 -1.74 -0.04 0.00 1.43 0.00 0.00 31.44 31.81 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 -2.87 -3.37 0.00 -1.84 8.25 -1.04 -4.99 115.22 109.35 2ksy n HIS 223 Ca -0.15 1.50 0.00 0.00 -0.26 0.00 0.00 57.72 58.81 2ksy n HIS 223 Cb 0.93 -2.76 0.00 0.00 1.12 0.00 0.00 29.99 29.29 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 -3.63 0.00 3.75 -1.41 0.00 -1.26 -4.99 105.19 97.65 2ksy n GLY 224 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2ksy n GLY 224 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ksy s GLU 225 N 0.00 4.65 0.00 1.61 2.12 -1.26 -4.91 118.70 120.91 2ksy s GLU 225 Ca 0.00 1.75 0.00 0.00 0.36 0.00 0.00 54.97 57.08 2ksy s GLU 225 Cb 0.00 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.17 2ksy s GLU 225 CO 0.00 0.21 0.14 0.45 -0.54 0.00 0.00 175.26 175.52 2ksy n SER 226 N 1.51 0.02 0.02 -1.70 2.88 -1.26 -4.85 113.62 110.24 2ksy n SER 226 Ca -0.00 -1.00 -0.18 0.00 -1.33 0.00 0.00 58.87 56.35 2ksy n SER 226 Cb 0.45 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.80 2ksy n SER 226 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2ksy h LEU 227 N 0.00 0.65 -2.54 2.46 3.38 -2.09 -3.49 115.31 113.68 2ksy h LEU 227 Ca 0.00 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.21 2ksy h LEU 227 Cb 0.62 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2ksy h LEU 227 CO 0.00 1.33 -1.01 0.00 0.09 0.00 0.00 178.44 178.85 2ksy n ALA 228 N -2.61 -2.89 0.00 1.53 0.00 -1.26 -5.02 120.51 110.26 2ksy n ALA 228 Ca -0.11 0.70 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2ksy n ALA 228 Cb 0.75 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.25 -0.17 3.20 0.00 0.00 -1.26 -5.17 105.19 103.03 2ksy n GLY 229 Ca -0.08 0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 2ksy n GLY 229 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ksy s VAL 230 N 0.00 1.51 -0.39 1.61 -7.23 -1.26 -5.11 120.40 109.53 2ksy s VAL 230 Ca 0.00 -0.86 -0.19 0.00 -1.81 0.00 0.00 61.98 59.13 2ksy s VAL 230 Cb 0.00 -1.26 0.01 0.00 0.56 0.00 0.00 36.38 35.69 2ksy s VAL 230 CO 0.00 0.40 0.54 1.51 -0.31 0.00 0.00 175.10 177.24 2ksy s ASP 231 N -0.53 6.30 0.20 4.85 -4.77 -1.26 -4.78 116.67 116.68 2ksy s ASP 231 Ca 0.07 -0.24 0.00 0.00 -3.30 0.00 0.00 52.55 49.08 2ksy s ASP 231 Cb -0.07 -2.28 0.00 0.00 -1.09 0.00 0.00 42.92 39.48 2ksy s ASP 231 CO -0.00 -0.60 0.00 0.35 0.70 0.00 0.00 175.17 175.62 2ksy n THR 232 N 5.57 0.00 -2.26 2.11 -2.24 -1.26 -5.08 114.28 111.13 2ksy n THR 232 Ca -0.04 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.31 2ksy n THR 232 Cb 0.48 -0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 68.27 2ksy n THR 232 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2ksy s ASP 233 N -4.48 6.85 -0.35 3.42 1.01 -1.26 -4.99 116.67 116.87 2ksy s ASP 233 Ca 0.00 1.95 -0.00 0.00 0.71 0.00 0.00 52.55 55.21 2ksy s ASP 233 Cb 0.00 -2.54 0.12 0.00 1.01 0.00 0.00 42.92 41.51 2ksy s ASP 233 CO 0.00 -0.79 0.17 0.42 0.21 0.00 0.00 175.17 175.18 2ksy s THR 234 N 3.37 0.66 -2.00 -1.27 -4.23 -1.26 -4.98 115.64 105.94 2ksy s THR 234 Ca 0.62 -1.68 0.04 0.00 -1.18 0.00 0.00 61.69 59.50 2ksy s THR 234 Cb -0.27 -1.49 0.11 0.00 1.34 0.00 0.00 72.50 72.18 2ksy s THR 234 CO 0.22 -0.83 0.95 -0.81 -0.54 0.00 0.00 174.62 173.62 2ksy n PRO 235 N 4.36 0.79 -2.30 3.99 -0.04 -1.26 -4.83 135.00 135.71 2ksy n PRO 235 Ca 0.04 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.24 2ksy n PRO 235 Cb 0.39 -1.08 0.05 0.00 -0.04 0.00 0.00 33.50 32.82 2ksy n PRO 235 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ksy s ALA 236 N -2.00 3.26 -0.13 0.55 0.00 -1.26 -5.01 121.76 117.17 2ksy s ALA 236 Ca 0.06 -0.86 0.18 0.00 0.00 0.00 0.00 51.96 51.34 2ksy s ALA 236 Cb 0.03 -2.57 0.29 0.00 0.00 0.00 0.00 23.12 20.87 2ksy s ALA 236 CO 0.04 -1.07 1.16 0.28 0.00 0.00 0.00 175.76 176.17 2ksy n VAL 237 N -2.75 1.89 -2.86 0.00 0.31 -1.26 -5.04 118.33 108.62 2ksy n VAL 237 Ca 0.07 -2.22 -0.02 0.00 -0.01 0.00 0.00 64.34 62.15 2ksy n VAL 237 Cb 0.59 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 2ksy n VAL 237 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ksy n ALA 238 N -1.37 -3.10 0.00 3.52 0.00 -1.26 -5.00 120.51 113.30 2ksy n ALA 238 Ca 0.16 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.07 2ksy n ALA 238 Cb 0.64 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2ksy n ALA 238 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ksy n ASP 239 N 0.68 3.71 -0.11 0.00 2.03 -1.26 -4.78 116.55 116.82 2ksy n ASP 239 Ca 0.01 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.22 2ksy n ASP 239 Cb 0.18 0.41 -0.02 0.00 -0.72 0.00 0.00 41.12 40.96 2ksy n ASP 239 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2ksy h LEU 240 N 0.00 0.51 -9.06 -2.67 4.07 -2.05 -3.42 115.31 102.69 2ksy h LEU 240 Ca 0.00 -0.23 -0.62 0.00 0.08 0.00 0.00 57.88 57.11 2ksy h LEU 240 Cb 0.66 -0.13 -0.17 0.00 1.08 0.00 0.00 40.66 42.10 2ksy h LEU 240 CO 0.00 0.61 -0.57 -0.70 -1.08 0.00 0.00 178.44 176.69 2ksy s GLU 241 N -5.30 3.94 0.05 1.13 2.12 -1.26 -5.09 118.70 114.28 2ksy s GLU 241 Ca -0.13 -0.36 -0.10 0.00 0.36 0.00 0.00 54.97 54.74 2ksy s GLU 241 Cb 0.09 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.30 2ksy s GLU 241 CO 0.75 0.27 0.20 -1.58 -0.54 0.00 0.00 175.26 174.36 2ksy s HIS 242 N 0.37 0.05 0.04 5.30 2.46 -1.26 -4.98 115.29 117.28 2ksy s HIS 242 Ca 0.02 -0.29 -0.26 0.00 0.47 0.00 0.00 55.06 55.00 2ksy s HIS 242 Cb -0.13 -0.02 -0.17 0.00 -0.13 0.00 0.00 32.58 32.13 2ksy s HIS 242 CO 0.00 -0.45 1.49 1.25 -2.47 0.00 0.00 174.74 174.57 2ksy h HIS 243 N 3.37 -0.25 -5.12 3.88 2.76 -2.00 -3.49 115.15 114.31 2ksy h HIS 243 Ca -0.32 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 2ksy h HIS 243 Cb 1.19 0.08 -0.07 0.00 1.55 0.00 0.00 27.41 30.17 2ksy h HIS 243 CO 0.49 -0.01 -1.29 1.58 -1.30 0.00 0.00 177.93 177.40 2ksy n HIS 244 N -5.12 -4.13 -1.79 5.26 -0.00 -1.26 -4.88 115.22 103.29 2ksy n HIS 244 Ca -0.09 2.14 -0.41 0.00 -0.00 0.00 0.00 57.72 59.36 2ksy n HIS 244 Cb 0.19 -3.88 -0.01 0.00 -0.00 0.00 0.00 29.99 26.30 2ksy n HIS 244 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2ksy s HIS 245 N -1.12 2.63 -0.08 1.57 3.76 -1.26 -5.00 115.29 115.79 2ksy s HIS 245 Ca -0.15 1.04 -0.02 0.00 -0.15 0.00 0.00 55.06 55.78 2ksy s HIS 245 Cb 0.01 -4.04 -0.03 0.00 1.11 0.00 0.00 32.58 29.62 2ksy s HIS 245 CO 0.77 -3.21 0.01 -3.38 -0.85 0.00 0.00 174.74 168.07 2ksy s HIS 246 N -0.75 3.18 -2.00 1.40 -3.43 -1.26 -5.31 115.29 107.11 2ksy s HIS 246 Ca 0.56 0.20 0.18 0.00 -0.80 0.00 0.00 55.06 55.20 2ksy s HIS 246 Cb -0.47 -1.79 1.05 0.00 -1.43 0.00 0.00 32.58 29.94 2ksy s HIS 246 CO 0.58 0.48 1.45 1.58 -2.00 0.00 0.00 174.74 176.83