#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 0.29 -0.00 2.03 0.24 -1.26 -4.12 118.33 115.51 2ksy n VAL 2 Ca 0.00 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2ksy n VAL 2 Cb 0.00 -0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 2ksy n VAL 2 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ksy n GLY 3 N 1.36 0.93 0.17 7.63 0.00 -1.26 -4.69 105.19 109.33 2ksy n GLY 3 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 2ksy n GLY 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ksy h LEU 4 N 0.00 0.51 -1.62 0.99 5.85 -2.00 -3.16 115.31 115.88 2ksy h LEU 4 Ca 0.00 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 2ksy h LEU 4 Cb 0.00 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2ksy h LEU 4 CO 0.00 1.11 -0.03 0.71 -0.34 0.00 0.00 178.44 179.89 2ksy h THR 5 N 0.27 1.11 -0.83 1.05 1.35 -1.84 -2.43 112.91 111.60 2ksy h THR 5 Ca -0.04 -0.46 0.14 0.00 -0.55 0.00 0.00 66.41 65.51 2ksy h THR 5 Cb 1.38 1.04 -0.06 0.00 -1.73 0.00 0.00 68.15 68.78 2ksy h THR 5 CO 0.14 0.15 0.54 0.71 -0.25 0.00 0.00 175.52 176.80 2ksy h THR 6 N 0.20 0.82 0.06 6.82 1.35 -1.84 -1.34 112.91 118.98 2ksy h THR 6 Ca 0.05 -0.19 -0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2ksy h THR 6 Cb 0.19 0.21 -0.00 0.00 -1.73 0.00 0.00 68.15 66.82 2ksy h THR 6 CO 0.01 0.10 -0.04 -0.07 -0.25 0.00 0.00 175.52 175.27 2ksy h LEU 7 N 0.56 -0.09 -1.06 3.87 -0.00 -1.59 -0.17 115.31 116.82 2ksy h LEU 7 Ca 0.41 0.01 -0.07 0.00 -0.00 0.00 0.00 57.88 58.22 2ksy h LEU 7 Cb 0.77 0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.45 2ksy h LEU 7 CO -0.16 -0.06 -0.10 -0.26 -0.00 0.00 0.00 178.44 177.85 2ksy h PHE 8 N -0.10 0.59 -0.35 1.13 0.04 -1.48 -2.24 116.94 114.53 2ksy h PHE 8 Ca -0.01 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 60.63 2ksy h PHE 8 Cb 0.08 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 2ksy h PHE 8 CO -0.08 0.64 0.05 -1.49 -0.60 0.00 0.00 178.31 176.83 2ksy h TRP 9 N 0.51 0.63 -0.84 -0.55 -0.00 -0.93 -1.22 115.95 113.55 2ksy h TRP 9 Ca 0.10 -0.09 0.00 0.00 -0.00 0.00 0.00 58.89 58.90 2ksy h TRP 9 Cb 0.48 -0.17 -0.04 0.00 -0.00 0.00 0.00 29.16 29.43 2ksy h TRP 9 CO 0.02 0.65 0.53 -0.07 -0.00 0.00 0.00 178.44 179.56 2ksy h LEU 10 N 0.42 0.99 -1.14 -4.49 3.38 -0.83 -1.81 115.31 111.84 2ksy h LEU 10 Ca 0.11 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2ksy h LEU 10 Cb 0.36 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2ksy h LEU 10 CO 0.01 0.74 -0.06 1.23 0.09 0.00 0.00 178.44 180.45 2ksy h GLY 11 N 1.14 0.57 1.88 0.83 0.00 -1.14 -2.19 103.07 104.16 2ksy h GLY 11 Ca 0.30 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 2ksy h GLY 11 CO -0.06 0.34 -0.23 0.00 0.00 0.00 0.00 176.54 176.59 2ksy h ALA 12 N 1.44 1.46 -0.08 3.60 0.00 -0.40 -2.13 119.26 123.15 2ksy h ALA 12 Ca 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2ksy h ALA 12 Cb 0.42 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2ksy h ALA 12 CO 0.02 0.39 -0.03 0.82 0.00 0.00 0.00 179.25 180.45 2ksy h ILE 13 N 0.14 1.30 0.00 0.00 1.08 -0.82 -1.59 117.51 117.61 2ksy h ILE 13 Ca 0.02 -0.97 -0.01 0.00 -0.39 0.00 0.00 64.86 63.51 2ksy h ILE 13 Cb 0.49 1.79 -0.00 0.00 -3.07 0.00 0.00 36.82 36.02 2ksy h ILE 13 CO 0.03 0.27 -0.06 1.23 -0.69 0.00 0.00 178.15 178.93 2ksy h GLY 14 N -0.19 0.00 1.24 5.37 0.00 -1.25 -2.09 103.07 106.15 2ksy h GLY 14 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.10 2ksy h GLY 14 CO 0.01 0.00 -0.95 -0.33 0.00 0.00 0.00 176.54 175.27 2ksy h MET 15 N 0.00 0.70 -0.95 4.80 2.86 -1.19 -2.37 114.93 118.78 2ksy h MET 15 Ca -0.00 -0.69 0.03 0.00 -2.06 0.00 0.00 59.70 56.98 2ksy h MET 15 Cb 0.13 0.18 -0.05 0.00 0.06 0.00 0.00 31.60 31.91 2ksy h MET 15 CO 0.01 1.28 0.62 1.25 1.06 0.00 0.00 176.91 181.13 2ksy h LEU 16 N 0.43 1.05 -0.17 1.22 5.85 -0.61 0.25 115.31 123.33 2ksy h LEU 16 Ca -0.10 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 2ksy h LEU 16 Cb 1.59 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 2ksy h LEU 16 CO 0.19 0.73 -0.18 0.58 -0.34 0.00 0.00 178.44 179.42 2ksy h VAL 17 N 1.22 1.34 -0.03 1.05 2.07 -1.48 -2.71 116.25 117.71 2ksy h VAL 17 Ca 0.37 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 2ksy h VAL 17 Cb -0.04 1.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2ksy h VAL 17 CO -0.11 0.40 0.01 1.23 0.02 0.00 0.00 177.57 179.13 2ksy h GLY 18 N 0.07 0.05 0.03 2.17 0.00 -1.11 -0.25 103.07 104.03 2ksy h GLY 18 Ca 0.03 -0.03 0.15 0.00 0.00 0.00 0.00 47.33 47.48 2ksy h GLY 18 CO 0.04 0.03 0.23 -0.84 0.00 0.00 0.00 176.54 176.00 2ksy h THR 19 N -0.14 0.58 -0.24 4.70 2.02 -0.56 0.10 112.91 119.37 2ksy h THR 19 Ca 0.01 -0.11 -0.19 0.00 0.77 0.00 0.00 66.41 66.88 2ksy h THR 19 Cb 0.20 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 2ksy h THR 19 CO -0.00 0.06 -0.61 -0.07 0.37 0.00 0.00 175.52 175.27 2ksy h LEU 20 N 0.33 0.91 -1.54 2.58 3.38 -1.35 -0.05 115.31 119.58 2ksy h LEU 20 Ca 0.41 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2ksy h LEU 20 Cb 0.67 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2ksy h LEU 20 CO -0.46 1.31 -0.18 0.00 0.09 0.00 0.00 178.44 179.20 2ksy h ALA 21 N 0.70 1.62 0.01 1.53 0.00 0.38 -0.15 119.26 123.36 2ksy h ALA 21 Ca -0.00 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.41 2ksy h ALA 21 Cb 1.22 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 2ksy h ALA 21 CO 0.13 0.28 -1.78 1.19 0.00 0.00 0.00 179.25 179.07 2ksy n PHE 22 N -4.29 0.96 -0.02 0.00 3.72 0.22 -3.39 117.46 114.65 2ksy n PHE 22 Ca -0.02 0.33 -0.13 0.00 -0.05 0.00 0.00 57.45 57.58 2ksy n PHE 22 Cb 0.26 -1.17 -0.10 0.00 -0.94 0.00 0.00 39.48 37.53 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 0.90 0.01 -0.83 4.37 0.00 -0.79 -0.15 119.26 122.76 2ksy h ALA 23 Ca -0.32 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2ksy h ALA 23 Cb 2.03 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.78 2ksy h ALA 23 CO 0.08 -0.19 0.53 2.35 0.00 0.00 0.00 179.25 182.02 2ksy h TRP 24 N -0.55 1.06 0.00 0.00 2.91 -1.21 -0.76 115.95 117.40 2ksy h TRP 24 Ca 0.00 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 59.95 2ksy h TRP 24 Cb 0.59 -0.36 -0.01 0.00 -0.51 0.00 0.00 29.16 28.88 2ksy h TRP 24 CO 0.13 0.68 -0.40 0.00 -1.03 0.00 0.00 178.44 177.82 2ksy h ALA 25 N 1.29 0.92 -0.14 2.65 0.00 -1.60 -3.20 119.26 119.18 2ksy h ALA 25 Ca 0.30 -0.36 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 2ksy h ALA 25 Cb -0.10 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.64 2ksy h ALA 25 CO -0.06 0.50 -0.76 0.78 0.00 0.00 0.00 179.25 179.71 2ksy h GLY 26 N 2.37 0.85 1.22 0.00 0.00 -0.07 -2.99 103.07 104.45 2ksy h GLY 26 Ca -0.00 -1.21 0.00 0.00 0.00 0.00 0.00 47.33 46.12 2ksy h GLY 26 CO 0.05 1.07 0.00 0.54 0.00 0.00 0.00 176.54 178.21 2ksy n ARG 27 N -3.97 0.48 0.00 4.80 1.74 -0.38 -1.96 116.66 117.38 2ksy n ARG 27 Ca -0.08 0.04 0.07 0.00 -0.77 0.00 0.00 57.85 57.11 2ksy n ARG 27 Cb 0.74 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.62 2ksy n ARG 27 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2ksy n ASP 28 N -1.11 0.92 -2.90 0.55 2.03 -1.14 -5.00 116.55 109.89 2ksy n ASP 28 Ca 0.13 -0.96 -0.14 0.00 0.52 0.00 0.00 54.79 54.34 2ksy n ASP 28 Cb 0.10 0.84 0.10 0.00 -0.72 0.00 0.00 41.12 41.44 2ksy n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ksy n ALA 29 N -0.97 -0.81 -3.96 -1.67 0.00 -0.83 -5.11 120.51 107.17 2ksy n ALA 29 Ca 0.04 -0.81 -0.03 0.00 0.00 0.00 0.00 53.44 52.64 2ksy n ALA 29 Cb 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 19.45 19.64 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 0.74 4.12 3.62 0.00 0.00 -1.26 -4.98 105.19 107.43 2ksy n GLY 30 Ca 0.08 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 2ksy n GLY 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ksy s SER 31 N -1.25 6.19 0.00 1.61 1.04 -1.26 -3.00 113.70 117.03 2ksy s SER 31 Ca 0.00 1.59 0.00 0.00 0.48 0.00 0.00 55.95 58.02 2ksy s SER 31 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 2ksy s SER 31 CO 0.00 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.42 2ksy n GLY 32 N 4.94 3.46 0.15 7.32 0.00 -1.26 -4.88 105.19 114.92 2ksy n GLY 32 Ca 0.21 -0.67 0.10 0.00 0.00 0.00 0.00 46.02 45.66 2ksy n GLY 32 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ksy h GLU 33 N 0.00 0.00 -0.91 1.61 5.08 -1.98 -3.33 114.58 115.05 2ksy h GLU 33 Ca 0.00 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.62 2ksy h GLU 33 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2ksy h GLU 33 CO 0.00 0.06 0.68 -0.09 -1.00 0.00 0.00 179.01 178.66 2ksy h ARG 34 N 0.00 0.00 -0.44 2.33 2.43 -1.87 0.11 114.38 116.94 2ksy h ARG 34 Ca -0.01 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 2ksy h ARG 34 Cb 1.07 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 2ksy h ARG 34 CO 0.01 0.00 0.11 0.00 -1.51 0.00 0.00 179.97 178.57 2ksy h ARG 35 N 0.00 0.70 -0.16 0.20 2.47 -1.90 -1.26 114.38 114.44 2ksy h ARG 35 Ca 0.43 -0.17 -0.12 0.00 -1.26 0.00 0.00 59.98 58.86 2ksy h ARG 35 Cb 1.78 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 30.00 2ksy h ARG 35 CO -0.00 0.70 -0.42 1.88 0.56 0.00 0.00 179.97 182.69 2ksy h TYR 36 N 0.57 0.43 0.14 3.04 -1.99 -1.04 -2.52 116.97 115.60 2ksy h TYR 36 Ca 0.14 -0.12 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 2ksy h TYR 36 Cb 0.32 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 38.96 2ksy h TYR 36 CO 0.02 0.73 -0.07 1.88 -0.00 0.00 0.00 178.16 180.72 2ksy h TYR 37 N 0.30 -0.18 -0.79 4.88 0.05 -1.25 -0.84 116.97 119.15 2ksy h TYR 37 Ca 0.03 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.88 2ksy h TYR 37 Cb 0.87 0.06 -0.05 0.00 1.01 0.00 0.00 36.73 38.61 2ksy h TYR 37 CO 0.02 0.27 0.51 0.28 -1.05 0.00 0.00 178.16 178.20 2ksy h VAL 38 N -0.73 0.99 -0.14 -2.88 2.07 -1.28 -0.44 116.25 113.83 2ksy h VAL 38 Ca -0.02 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 2ksy h VAL 38 Cb 0.52 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2ksy h VAL 38 CO 0.03 0.14 -0.01 0.74 0.02 0.00 0.00 177.57 178.49 2ksy h THR 39 N 0.78 1.27 -0.35 2.57 2.02 -1.43 -1.41 112.91 116.35 2ksy h THR 39 Ca 0.35 -0.90 0.04 0.00 0.77 0.00 0.00 66.41 66.67 2ksy h THR 39 Cb 0.35 1.58 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 2ksy h THR 39 CO -0.13 0.26 0.13 0.25 0.37 0.00 0.00 175.52 176.41 2ksy h LEU 40 N -0.02 0.15 -1.27 2.58 5.85 -0.24 -1.42 115.31 120.94 2ksy h LEU 40 Ca 0.04 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2ksy h LEU 40 Cb 0.41 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2ksy h LEU 40 CO 0.01 0.12 0.08 0.58 -0.34 0.00 0.00 178.44 178.90 2ksy h VAL 41 N 0.28 1.18 -0.99 1.05 2.07 -1.09 -2.47 116.25 116.28 2ksy h VAL 41 Ca 0.16 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 67.05 2ksy h VAL 41 Cb 0.13 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 2ksy h VAL 41 CO -0.16 0.24 0.65 1.23 0.02 0.00 0.00 177.57 179.55 2ksy h GLY 42 N 0.81 1.44 0.60 2.17 0.00 -0.16 0.11 103.07 108.04 2ksy h GLY 42 Ca 0.13 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 2ksy h GLY 42 CO -0.00 0.43 -0.03 -2.22 0.00 0.00 0.00 176.54 174.72 2ksy h ILE 43 N 1.26 1.19 0.00 2.60 2.04 -0.99 -1.20 117.51 122.41 2ksy h ILE 43 Ca 0.39 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 2ksy h ILE 43 Cb -0.01 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2ksy h ILE 43 CO -0.12 0.22 -0.09 0.28 0.00 0.00 0.00 178.15 178.43 2ksy h SER 44 N -0.48 0.00 0.02 1.72 0.02 -1.30 -2.43 113.55 111.11 2ksy h SER 44 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2ksy h SER 44 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2ksy h SER 44 CO 0.01 0.09 -0.01 1.23 -1.14 0.00 0.00 176.83 177.02 2ksy h GLY 45 N 0.62 -0.03 0.84 -3.77 0.00 -0.64 -2.42 103.07 97.67 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 0.01 -0.01 0.60 0.16 0.00 0.00 0.00 176.54 177.30 2ksy h ILE 46 N -0.92 1.13 -0.48 2.60 3.07 -1.14 -2.08 117.51 119.69 2ksy h ILE 46 Ca -0.00 -0.39 -0.13 0.00 1.55 0.00 0.00 64.86 65.89 2ksy h ILE 46 Cb 0.72 -0.11 -0.01 0.00 -0.27 0.00 0.00 36.82 37.15 2ksy h ILE 46 CO 0.01 0.21 -0.20 0.00 -1.05 0.00 0.00 178.15 177.11 2ksy h ALA 47 N 1.39 0.67 -0.61 0.16 0.00 -1.56 -2.26 119.26 117.06 2ksy h ALA 47 Ca 0.38 -0.39 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2ksy h ALA 47 Cb 0.04 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 2ksy h ALA 47 CO -0.13 0.65 0.25 0.00 0.00 0.00 0.00 179.25 180.03 2ksy h ALA 48 N 0.87 0.79 -0.07 0.00 0.00 -0.86 -0.93 119.26 119.06 2ksy h ALA 48 Ca 0.11 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.92 2ksy h ALA 48 Cb 0.78 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2ksy h ALA 48 CO 0.06 -0.15 -0.69 -0.39 0.00 0.00 0.00 179.25 178.09 2ksy h VAL 49 N 0.46 1.39 -0.70 0.00 -1.51 -1.43 -2.54 116.25 111.91 2ksy h VAL 49 Ca 0.30 -2.12 -0.02 0.00 -1.23 0.00 0.00 66.70 63.63 2ksy h VAL 49 Cb 0.33 2.09 -0.03 0.00 -2.13 0.00 0.00 31.29 31.55 2ksy h VAL 49 CO -0.27 0.63 0.36 0.00 -1.23 0.00 0.00 177.57 177.06 2ksy h ALA 50 N 1.05 1.32 -0.11 5.19 0.00 -0.71 -0.27 119.26 125.73 2ksy h ALA 50 Ca -0.02 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 2ksy h ALA 50 Cb 1.24 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2ksy h ALA 50 CO 0.11 0.54 -0.68 1.88 0.00 0.00 0.00 179.25 181.10 2ksy h TYR 51 N 0.98 0.62 -0.57 0.00 0.05 -1.13 -1.25 116.97 115.68 2ksy h TYR 51 Ca 0.25 -0.26 -0.09 0.00 0.05 0.00 0.00 58.73 58.68 2ksy h TYR 51 Cb 0.06 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 2ksy h TYR 51 CO 0.01 1.01 0.01 0.00 -1.05 0.00 0.00 178.16 178.14 2ksy h ALA 52 N 0.92 0.77 -0.10 3.88 0.00 -0.97 0.47 119.26 124.23 2ksy h ALA 52 Ca -0.02 -0.30 -0.20 0.00 0.00 0.00 0.00 54.91 54.39 2ksy h ALA 52 Cb 1.25 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.84 2ksy h ALA 52 CO 0.12 0.59 -0.72 -0.39 0.00 0.00 0.00 179.25 178.84 2ksy h VAL 53 N 0.88 1.32 -0.43 0.00 -1.51 -1.04 -2.86 116.25 112.60 2ksy h VAL 53 Ca 0.16 -1.98 -0.07 0.00 -1.23 0.00 0.00 66.70 63.58 2ksy h VAL 53 Cb 0.53 2.17 -0.02 0.00 -2.13 0.00 0.00 31.29 31.84 2ksy h VAL 53 CO 0.03 0.61 -0.01 0.24 -1.23 0.00 0.00 177.57 177.21 2ksy h MET 54 N 0.33 0.71 0.00 5.19 2.07 -1.19 -1.42 114.93 120.61 2ksy h MET 54 Ca -0.06 -0.18 0.00 0.00 -2.07 0.00 0.00 59.70 57.39 2ksy h MET 54 Cb 1.37 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 31.01 2ksy h MET 54 CO 0.15 0.73 0.00 0.00 1.07 0.00 0.00 176.91 178.85 2ksy h ALA 55 N 1.33 1.00 -0.18 6.32 0.00 -0.88 -2.26 119.26 124.59 2ksy h ALA 55 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2ksy h ALA 55 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2ksy h ALA 55 CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2ksy n LEU 56 N -2.57 2.78 0.00 0.00 4.77 -0.63 -4.82 117.00 116.53 2ksy n LEU 56 Ca 0.01 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 2ksy n LEU 56 Cb 0.25 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2ksy n LEU 56 CO 0.22 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 2ksy n GLY 57 N 1.35 0.80 3.73 -0.72 0.00 -0.85 -5.02 105.19 104.49 2ksy n GLY 57 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2ksy n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ksy s VAL 58 N -3.03 3.30 0.00 1.61 1.01 -0.66 -2.47 120.40 120.16 2ksy s VAL 58 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.00 2ksy s VAL 58 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2ksy s VAL 58 CO 0.00 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.84 2ksy n GLY 59 N 2.72 2.17 3.56 4.51 0.00 -1.26 -4.36 105.19 112.53 2ksy n GLY 59 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.36 1.56 -0.17 1.61 0.52 -1.03 -2.49 118.94 116.59 2ksy s TRP 60 Ca 0.00 1.14 -0.08 0.00 0.02 0.00 0.00 56.10 57.18 2ksy s TRP 60 Cb 0.00 -3.81 -0.04 0.00 -1.15 0.00 0.00 33.47 28.46 2ksy s TRP 60 CO 0.00 -1.64 0.10 0.54 0.02 0.00 0.00 176.95 175.97 2ksy s VAL 61 N 11.94 5.18 0.49 4.03 0.11 -0.85 -5.00 120.40 136.29 2ksy s VAL 61 Ca 0.78 0.10 -0.19 0.00 -2.93 0.00 0.00 61.98 59.74 2ksy s VAL 61 Cb -0.09 -3.33 -0.08 0.00 -1.53 0.00 0.00 36.38 31.35 2ksy s VAL 61 CO 0.03 0.49 1.01 -2.84 -3.33 0.00 0.00 175.10 170.46 2ksy s PRO 62 N 0.04 3.88 -0.34 1.54 0.02 -1.26 -2.39 135.00 136.49 2ksy s PRO 62 Ca 0.08 1.22 0.00 0.00 0.02 0.00 0.00 61.00 62.32 2ksy s PRO 62 Cb -0.12 -2.12 0.14 0.00 0.02 0.00 0.00 34.50 32.43 2ksy s PRO 62 CO -0.00 -0.35 0.24 0.08 -0.33 0.00 0.00 177.00 176.65 2ksy s VAL 63 N -2.18 -0.03 0.00 3.83 1.01 0.54 -4.90 120.40 118.66 2ksy s VAL 63 Ca 0.64 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2ksy s VAL 63 Cb -0.13 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.27 2ksy s VAL 63 CO 0.22 -0.83 0.00 0.00 0.00 0.00 0.00 175.10 174.48 2ksy n ALA 64 N 4.31 0.00 0.00 5.51 0.00 -1.26 -0.33 120.51 128.74 2ksy n ALA 64 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 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 -0.85 0.00 0.00 0.00 177.50 176.65 2ksy n GLU 65 N 0.00 2.86 -4.03 0.00 0.28 -1.26 -5.06 120.64 113.43 2ksy n GLU 65 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.78 2ksy n GLU 65 Cb 0.00 -0.71 -0.04 0.00 1.43 0.00 0.00 31.44 32.13 2ksy n GLU 65 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2ksy s ARG 66 N -1.28 3.01 0.02 3.44 0.52 0.56 -5.13 118.95 120.08 2ksy s ARG 66 Ca 0.00 -1.03 0.08 0.00 -0.52 0.00 0.00 55.73 54.27 2ksy s ARG 66 Cb 0.00 -2.62 -0.02 0.00 0.52 0.00 0.00 34.95 32.82 2ksy s ARG 66 CO 0.00 0.36 -0.25 0.99 0.02 0.00 0.00 175.30 176.42 2ksy s THR 67 N -2.13 2.00 0.03 0.02 2.01 -1.26 -0.34 115.64 115.98 2ksy s THR 67 Ca 0.34 -1.23 0.04 0.00 0.31 0.00 0.00 61.69 61.15 2ksy s THR 67 Cb -0.08 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 2ksy s THR 67 CO 0.26 0.42 -0.12 0.68 -0.69 0.00 0.00 174.62 175.17 2ksy s VAL 68 N -0.71 0.93 -0.28 3.82 -7.23 -1.00 -4.97 120.40 110.96 2ksy s VAL 68 Ca 0.10 -0.87 -0.06 0.00 -1.81 0.00 0.00 61.98 59.35 2ksy s VAL 68 Cb -0.10 -0.85 0.01 0.00 0.56 0.00 0.00 36.38 36.00 2ksy s VAL 68 CO 0.01 -0.01 0.05 -0.36 -0.31 0.00 0.00 175.10 174.48 2ksy s PHE 69 N -0.78 3.11 0.27 2.82 0.08 -1.26 -2.00 117.98 120.23 2ksy s PHE 69 Ca 0.00 -1.01 -0.01 0.00 0.12 0.00 0.00 56.93 56.03 2ksy s PHE 69 Cb -0.07 -2.21 0.38 0.00 -0.57 0.00 0.00 43.02 40.55 2ksy s PHE 69 CO 0.01 -0.58 1.79 -0.24 -0.10 0.00 0.00 175.22 176.10 2ksy h VAL 70 N 5.86 1.23 0.00 -0.44 3.04 -1.81 -2.87 116.25 121.26 2ksy h VAL 70 Ca -0.33 -0.92 -0.01 0.00 -1.01 0.00 0.00 66.70 64.43 2ksy h VAL 70 Cb 1.13 0.81 -0.00 0.00 -2.01 0.00 0.00 31.29 31.22 2ksy h VAL 70 CO 0.60 0.33 -0.04 1.55 -1.01 0.00 0.00 177.57 178.99 2ksy h PRO 71 N 0.74 0.00 0.18 4.17 0.13 -1.84 -2.62 132.00 132.76 2ksy h PRO 71 Ca 0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 2ksy h PRO 71 Cb 0.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.52 2ksy h PRO 71 CO 0.01 0.04 -0.09 -0.09 -0.23 0.00 0.00 178.00 177.65 2ksy h ARG 72 N 0.00 -0.24 -0.48 0.86 2.43 -1.88 0.04 114.38 115.12 2ksy h ARG 72 Ca -0.00 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 2ksy h ARG 72 Cb 0.56 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 2ksy h ARG 72 CO 0.01 0.16 -0.04 1.88 -1.51 0.00 0.00 179.97 180.46 2ksy h TYR 73 N -0.90 0.90 -0.48 2.20 0.05 -1.62 -2.71 116.97 114.41 2ksy h TYR 73 Ca -0.02 -0.14 -0.10 0.00 0.05 0.00 0.00 58.73 58.51 2ksy h TYR 73 Cb 0.50 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 2ksy h TYR 73 CO 0.08 0.84 -0.10 0.97 -1.05 0.00 0.00 178.16 178.90 2ksy h ILE 74 N 0.76 1.27 -0.99 -2.88 -0.00 -1.55 -2.34 117.51 111.78 2ksy h ILE 74 Ca 0.14 -1.22 0.11 0.00 -0.00 0.00 0.00 64.86 63.89 2ksy h ILE 74 Cb 0.52 1.07 -0.08 0.00 -0.00 0.00 0.00 36.82 38.33 2ksy h ILE 74 CO 0.03 0.42 0.63 -0.78 -0.00 0.00 0.00 178.15 178.45 2ksy h ASP 75 N 0.77 0.93 0.20 2.19 3.58 -0.70 0.12 116.42 123.50 2ksy h ASP 75 Ca 0.13 0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.51 2ksy h ASP 75 Cb 0.64 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 2ksy h ASP 75 CO 0.04 0.51 -0.38 -0.50 -2.88 0.00 0.00 179.24 176.04 2ksy h TRP 76 N 1.00 0.29 -0.79 0.28 6.55 -1.18 -0.12 115.95 121.97 2ksy h TRP 76 Ca 0.48 -0.07 -0.01 0.00 0.95 0.00 0.00 58.89 60.24 2ksy h TRP 76 Cb 0.45 -0.07 -0.04 0.00 -0.86 0.00 0.00 29.16 28.64 2ksy h TRP 76 CO -0.00 0.60 0.47 0.82 -1.05 0.00 0.00 178.44 179.28 2ksy h ILE 77 N 0.22 1.22 0.00 1.49 2.04 -0.23 -2.13 117.51 120.11 2ksy h ILE 77 Ca 0.02 -0.50 -0.30 0.00 1.00 0.00 0.00 64.86 65.08 2ksy h ILE 77 Cb 0.77 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 2ksy h ILE 77 CO 0.06 0.24 -1.79 0.00 0.00 0.00 0.00 178.15 176.65 2ksy n LEU 78 N -4.47 0.77 0.00 1.44 -0.00 -0.98 -4.30 117.00 109.46 2ksy n LEU 78 Ca 0.08 0.37 -0.11 0.00 -0.00 0.00 0.00 56.01 56.35 2ksy n LEU 78 Cb 0.06 0.21 -0.09 0.00 -0.00 0.00 0.00 43.42 43.60 2ksy n LEU 78 CO 0.37 0.40 0.38 0.71 -0.00 0.00 0.00 177.39 179.26 2ksy h THR 79 N 0.00 1.07 -0.49 1.47 1.35 -1.00 -3.30 112.91 112.01 2ksy h THR 79 Ca -0.32 -1.44 0.10 0.00 -0.55 0.00 0.00 66.41 64.19 2ksy h THR 79 Cb 2.04 1.89 -0.08 0.00 -1.73 0.00 0.00 68.15 70.26 2ksy h THR 79 CO 0.07 0.31 -0.03 0.74 -0.25 0.00 0.00 175.52 176.36 2ksy h THR 80 N -0.87 0.59 -0.06 6.82 2.02 -1.60 -0.08 112.91 119.72 2ksy h THR 80 Ca -0.01 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.16 2ksy h THR 80 Cb 0.59 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2ksy h THR 80 CO 0.02 0.01 0.06 1.55 0.37 0.00 0.00 175.52 177.54 2ksy h PRO 81 N 0.08 0.00 0.03 6.66 0.13 -1.75 -0.85 132.00 136.31 2ksy h PRO 81 Ca 0.24 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.13 2ksy h PRO 81 Cb 0.37 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.51 2ksy h PRO 81 CO -0.43 0.00 -1.03 1.25 -0.23 0.00 0.00 178.00 177.56 2ksy h LEU 82 N 0.00 0.59 0.08 1.56 5.85 -1.11 -1.89 115.31 120.39 2ksy h LEU 82 Ca 0.03 -0.50 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 2ksy h LEU 82 Cb 0.16 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2ksy h LEU 82 CO -0.00 1.32 -0.04 0.40 -0.34 0.00 0.00 178.44 179.78 2ksy h ILE 83 N 0.23 1.16 -0.11 4.05 1.08 -0.51 -1.95 117.51 121.45 2ksy h ILE 83 Ca -0.10 -0.86 -0.01 0.00 -0.39 0.00 0.00 64.86 63.49 2ksy h ILE 83 Cb 1.69 1.71 -0.01 0.00 -3.07 0.00 0.00 36.82 37.14 2ksy h ILE 83 CO 0.18 0.21 0.01 -0.37 -0.69 0.00 0.00 178.15 177.49 2ksy h VAL 84 N -0.50 1.07 -0.30 1.67 -1.51 -1.39 0.08 116.25 115.37 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 0.42 0.98 -0.02 0.00 -2.13 0.00 0.00 31.29 30.54 2ksy h VAL 84 CO 0.02 0.08 -0.10 0.22 -1.23 0.00 0.00 177.57 176.56 2ksy h TYR 85 N 0.15 0.54 0.15 5.19 3.20 -1.14 -0.33 116.97 124.72 2ksy h TYR 85 Ca 0.04 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 2ksy h TYR 85 Cb 0.09 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.21 2ksy h TYR 85 CO 0.00 0.59 -0.07 0.35 -1.64 0.00 0.00 178.16 177.39 2ksy h PHE 86 N 0.47 -0.19 0.00 -3.82 3.04 -0.19 0.73 116.94 116.98 2ksy h PHE 86 Ca 0.09 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.99 2ksy h PHE 86 Cb 0.46 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 2ksy h PHE 86 CO 0.02 -0.06 -0.22 -0.07 -2.02 0.00 0.00 178.31 175.95 2ksy h LEU 87 N -0.28 0.00 -0.84 0.59 3.38 -1.28 -1.51 115.31 115.37 2ksy h LEU 87 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2ksy h LEU 87 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2ksy h LEU 87 CO 0.03 0.22 -0.47 1.23 0.09 0.00 0.00 178.44 179.55 2ksy h GLY 88 N 0.79 0.00 0.89 0.83 0.00 -0.46 -3.01 103.07 102.12 2ksy h GLY 88 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 2ksy h GLY 88 CO 0.03 0.00 -0.50 1.41 0.00 0.00 0.00 176.54 177.48 2ksy h LEU 89 N 0.00 0.64 -1.67 3.11 3.38 0.17 0.45 115.31 121.39 2ksy h LEU 89 Ca -0.00 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.33 2ksy h LEU 89 Cb 0.99 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2ksy h LEU 89 CO 0.06 1.17 0.20 -0.07 0.09 0.00 0.00 178.44 179.89 2ksy h LEU 90 N 0.15 0.37 0.04 1.67 3.38 -1.44 -3.07 115.31 116.41 2ksy h LEU 90 Ca -0.03 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 2ksy h LEU 90 Cb 1.14 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2ksy h LEU 90 CO 0.10 0.28 -0.95 0.00 0.09 0.00 0.00 178.44 177.96 2ksy h ALA 91 N 1.79 0.16 -1.61 1.53 0.00 -1.51 -3.40 119.26 116.22 2ksy h ALA 91 Ca 0.12 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 54.06 2ksy h ALA 91 Cb -0.04 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2ksy h ALA 91 CO -0.02 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.18 2ksy n GLY 92 N 1.58 0.84 3.68 0.00 0.00 0.14 -4.20 105.19 107.24 2ksy n GLY 92 Ca -0.23 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 2ksy n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ksy s LEU 93 N -1.55 1.20 0.80 0.99 1.02 -1.21 -5.06 118.68 114.87 2ksy s LEU 93 Ca 0.00 0.44 -0.08 0.00 0.02 0.00 0.00 54.13 54.51 2ksy s LEU 93 Cb 0.00 -2.19 0.13 0.00 0.02 0.00 0.00 46.19 44.15 2ksy s LEU 93 CO 0.00 -3.86 1.12 -1.81 0.02 0.00 0.00 176.35 171.82 2ksy s ASP 94 N -4.25 4.06 0.12 2.29 1.01 -1.26 -4.86 116.67 113.78 2ksy s ASP 94 Ca 0.73 0.13 -0.18 0.00 0.71 0.00 0.00 52.55 53.94 2ksy s ASP 94 Cb -0.07 -0.48 -0.04 0.00 1.01 0.00 0.00 42.92 43.35 2ksy s ASP 94 CO 0.55 -2.09 1.72 0.28 0.21 0.00 0.00 175.17 175.84 2ksy h SER 95 N -0.95 0.37 -0.12 0.27 0.02 -2.00 -1.58 113.55 109.57 2ksy h SER 95 Ca -0.42 -0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 60.35 2ksy h SER 95 Cb 1.27 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2ksy h SER 95 CO 0.46 0.36 -0.29 -0.09 -1.14 0.00 0.00 176.83 176.13 2ksy h ARG 96 N 0.36 0.40 -0.63 3.45 2.43 -2.00 -3.15 114.38 115.24 2ksy h ARG 96 Ca 0.10 -0.28 0.11 0.00 -0.81 0.00 0.00 59.98 59.11 2ksy h ARG 96 Cb 0.07 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.58 2ksy h ARG 96 CO -0.02 0.89 0.19 0.93 -1.51 0.00 0.00 179.97 180.45 2ksy h GLU 97 N -0.02 0.33 -0.17 0.20 4.39 -1.92 -0.57 114.58 116.82 2ksy h GLU 97 Ca -0.00 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.72 2ksy h GLU 97 Cb 0.89 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.43 2ksy h GLU 97 CO 0.06 0.22 -0.10 0.74 -1.16 0.00 0.00 179.01 178.77 2ksy h PHE 98 N 0.34 -0.24 -0.04 4.33 0.04 -1.33 -1.38 116.94 118.67 2ksy h PHE 98 Ca 0.33 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.11 2ksy h PHE 98 Cb 0.46 0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.74 2ksy h PHE 98 CO -0.21 -0.15 -0.02 0.78 -0.60 0.00 0.00 178.31 178.11 2ksy h GLY 99 N -0.09 0.05 0.97 -1.45 0.00 -1.24 -2.04 103.07 99.28 2ksy h GLY 99 Ca 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 2ksy h GLY 99 CO -0.22 0.02 0.16 -2.22 0.00 0.00 0.00 176.54 174.27 2ksy h ILE 100 N 0.05 1.23 -0.20 2.60 2.04 -0.02 -0.66 117.51 122.55 2ksy h ILE 100 Ca 0.01 -0.77 -0.18 0.00 1.00 0.00 0.00 64.86 64.92 2ksy h ILE 100 Cb 0.07 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2ksy h ILE 100 CO 0.00 0.28 -0.56 0.58 0.00 0.00 0.00 178.15 178.46 2ksy h VAL 101 N 0.69 1.30 -0.66 1.67 2.07 -1.04 -2.68 116.25 117.59 2ksy h VAL 101 Ca 0.16 -1.78 -0.08 0.00 0.82 0.00 0.00 66.70 65.82 2ksy h VAL 101 Cb 0.28 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 2ksy h VAL 101 CO -0.00 0.56 0.09 0.40 0.02 0.00 0.00 177.57 178.64 2ksy h ILE 102 N 0.45 1.27 -0.49 4.57 1.08 -1.32 -2.69 117.51 120.38 2ksy h ILE 102 Ca -0.01 -1.07 -0.12 0.00 -0.39 0.00 0.00 64.86 63.27 2ksy h ILE 102 Cb 1.18 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 35.58 2ksy h ILE 102 CO 0.12 0.40 -0.18 0.00 -0.69 0.00 0.00 178.15 177.80 2ksy h THR 103 N 1.03 1.27 -0.11 -0.27 1.03 -1.16 -2.43 112.91 112.27 2ksy h THR 103 Ca 0.20 -1.34 0.04 0.00 -0.01 0.00 0.00 66.41 65.30 2ksy h THR 103 Cb 0.47 1.10 -0.04 0.00 -1.07 0.00 0.00 68.15 68.61 2ksy h THR 103 CO 0.02 0.46 -0.13 0.25 -0.01 0.00 0.00 175.52 176.11 2ksy h LEU 104 N 0.84 -0.40 -1.28 0.00 5.85 -1.33 -1.23 115.31 117.76 2ksy h LEU 104 Ca 0.12 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.96 2ksy h LEU 104 Cb 0.75 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 2ksy h LEU 104 CO 0.06 -0.17 0.52 0.78 -0.34 0.00 0.00 178.44 179.29 2ksy h ASN 105 N -0.16 0.79 -0.93 1.25 -0.26 -1.43 -1.49 115.58 113.35 2ksy h ASN 105 Ca 0.08 -0.00 0.11 0.00 -0.56 0.00 0.00 56.30 55.94 2ksy h ASN 105 Cb 0.28 -0.17 -0.08 0.00 -1.06 0.00 0.00 38.32 37.29 2ksy h ASN 105 CO -0.21 0.52 0.56 0.74 -1.06 0.00 0.00 177.43 177.98 2ksy h THR 106 N 0.90 0.90 -0.27 2.81 2.02 -0.72 0.75 112.91 119.30 2ksy h THR 106 Ca 0.33 -0.31 -0.13 0.00 0.77 0.00 0.00 66.41 67.07 2ksy h THR 106 Cb 0.16 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 2ksy h THR 106 CO -0.11 0.16 -0.38 0.58 0.37 0.00 0.00 175.52 176.15 2ksy h VAL 107 N 0.89 1.29 -0.56 3.16 2.07 -0.88 -2.21 116.25 120.01 2ksy h VAL 107 Ca 0.46 -1.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 2ksy h VAL 107 Cb 0.46 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2ksy h VAL 107 CO -0.27 0.49 0.19 0.58 0.02 0.00 0.00 177.57 178.58 2ksy h VAL 108 N 0.52 1.24 -0.22 2.57 2.07 -0.49 -1.70 116.25 120.24 2ksy h VAL 108 Ca 0.05 -0.78 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 2ksy h VAL 108 Cb 0.88 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2ksy h VAL 108 CO 0.08 0.30 -0.25 0.24 0.02 0.00 0.00 177.57 177.95 2ksy h MET 109 N 0.78 0.56 -0.21 1.57 2.86 -0.89 -2.78 114.93 116.82 2ksy h MET 109 Ca 0.18 -0.31 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2ksy h MET 109 Cb 0.27 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2ksy h MET 109 CO -0.01 0.90 0.10 1.25 1.06 0.00 0.00 176.91 180.21 2ksy h LEU 110 N 0.25 0.25 0.50 1.22 5.85 -1.33 -0.54 115.31 121.50 2ksy h LEU 110 Ca 0.03 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2ksy h LEU 110 Cb 0.81 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2ksy h LEU 110 CO 0.06 0.22 -0.24 0.00 -0.34 0.00 0.00 178.44 178.14 2ksy h ALA 111 N 1.82 -0.67 0.00 1.25 0.00 -1.16 -2.77 119.26 117.74 2ksy h ALA 111 Ca 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2ksy h ALA 111 Cb 0.03 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ksy h ALA 111 CO -0.01 -0.74 -0.04 0.78 0.00 0.00 0.00 179.25 179.23 2ksy h GLY 112 N -0.93 0.00 0.08 0.00 0.00 -1.23 0.89 103.07 101.87 2ksy h GLY 112 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 2ksy h GLY 112 CO 0.11 0.00 -0.05 -2.75 0.00 0.00 0.00 176.54 173.85 2ksy h PHE 113 N 0.00 -0.13 0.00 5.60 3.04 -0.98 -2.76 116.94 121.71 2ksy h PHE 113 Ca -0.00 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 2ksy h PHE 113 Cb 0.08 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 2ksy h PHE 113 CO 0.00 -0.07 -0.21 0.00 -2.02 0.00 0.00 178.31 176.01 2ksy h ALA 114 N -1.81 1.57 -0.33 2.41 0.00 -1.44 -3.04 119.26 116.62 2ksy h ALA 114 Ca -0.01 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.78 2ksy h ALA 114 Cb 0.10 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 2ksy h ALA 114 CO 0.01 0.26 -0.15 0.78 0.00 0.00 0.00 179.25 180.15 2ksy h GLY 115 N 0.71 0.11 2.00 0.00 0.00 -0.71 -0.13 103.07 105.04 2ksy h GLY 115 Ca -0.00 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2ksy h GLY 115 CO 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 176.54 176.40 2ksy h ALA 116 N 1.16 1.00 -0.59 3.60 0.00 -1.40 -3.13 119.26 119.90 2ksy h ALA 116 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2ksy h ALA 116 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2ksy h ALA 116 CO -0.40 0.00 0.00 -0.12 0.00 0.00 0.00 179.25 178.73 2ksy n MET 117 N -2.30 4.51 -2.48 0.00 0.00 -0.19 -4.88 117.12 111.78 2ksy n MET 117 Ca 0.05 -3.08 -0.37 0.00 0.00 0.00 0.00 57.70 54.29 2ksy n MET 117 Cb 0.39 -2.15 -0.04 0.00 0.00 0.00 0.00 33.22 31.43 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 -2.51 3.56 -0.99 1.12 -7.23 -0.44 -4.95 120.40 108.96 2ksy s VAL 118 Ca 0.53 1.27 0.26 0.00 -1.81 0.00 0.00 61.98 62.23 2ksy s VAL 118 Cb 0.39 -3.69 0.06 0.00 0.56 0.00 0.00 36.38 33.70 2ksy s VAL 118 CO 0.18 0.08 1.54 -0.81 -0.31 0.00 0.00 175.10 175.78 2ksy n PRO 119 N 0.13 0.01 0.00 4.82 -0.04 -1.26 -4.89 135.00 133.76 2ksy n PRO 119 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 2ksy n PRO 119 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 1.50 2.70 0.04 0.55 0.00 -1.26 -5.04 105.19 103.68 2ksy n GLY 120 Ca 0.06 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 0.93 0.28 -0.61 -5.35 -1.26 -4.72 119.36 108.63 2ksy n ILE 121 Ca 0.00 -1.00 0.17 0.00 -0.27 0.00 0.00 62.75 61.66 2ksy n ILE 121 Cb 0.00 0.46 0.93 0.00 -1.74 0.00 0.00 39.64 39.28 2ksy n ILE 121 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2ksy h GLU 122 N 0.00 0.00 -0.95 6.28 5.08 -1.93 -2.31 114.58 120.75 2ksy h GLU 122 Ca 0.00 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.62 2ksy h GLU 122 Cb 0.72 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.92 2ksy h GLU 122 CO 0.00 0.00 0.67 0.07 -1.00 0.00 0.00 179.01 178.75 2ksy h ARG 123 N 0.00 0.10 -0.11 2.33 0.11 -1.85 0.32 114.38 115.28 2ksy h ARG 123 Ca 0.00 -0.01 -0.13 0.00 0.10 0.00 0.00 59.98 59.95 2ksy h ARG 123 Cb 0.16 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.21 2ksy h ARG 123 CO 0.00 0.06 -0.49 1.88 0.10 0.00 0.00 179.97 181.52 2ksy h TYR 124 N 0.10 0.34 0.01 4.08 0.05 -1.75 -2.64 116.97 117.16 2ksy h TYR 124 Ca 0.47 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 59.14 2ksy h TYR 124 Cb 1.68 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 39.35 2ksy h TYR 124 CO -0.00 0.72 -0.00 0.00 -1.05 0.00 0.00 178.16 177.83 2ksy h ALA 125 N 1.26 -0.01 -0.13 3.88 0.00 -0.59 -0.97 119.26 122.71 2ksy h ALA 125 Ca 0.01 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.69 2ksy h ALA 125 Cb 0.95 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 2ksy h ALA 125 CO 0.08 -0.22 -0.20 -0.07 0.00 0.00 0.00 179.25 178.83 2ksy h LEU 126 N -0.57 -0.63 -0.93 0.00 -0.00 -1.44 -1.92 115.31 109.83 2ksy h LEU 126 Ca -0.00 0.11 -0.07 0.00 -0.00 0.00 0.00 57.88 57.92 2ksy h LEU 126 Cb 0.56 0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 41.48 2ksy h LEU 126 CO 0.00 -0.25 0.03 0.15 -0.00 0.00 0.00 178.44 178.37 2ksy h PHE 127 N -0.26 0.87 -0.76 1.13 3.57 -1.55 -1.74 116.94 118.20 2ksy h PHE 127 Ca 0.10 -0.11 0.17 0.00 3.53 0.00 0.00 57.97 61.66 2ksy h PHE 127 Cb 0.40 -0.24 -0.13 0.00 2.79 0.00 0.00 35.95 38.77 2ksy h PHE 127 CO -0.31 0.78 -0.00 0.78 -2.23 0.00 0.00 178.31 177.33 2ksy h GLY 128 N 0.98 0.84 1.59 2.40 0.00 -0.36 0.62 103.07 109.14 2ksy h GLY 128 Ca 0.16 0.12 -0.16 0.00 0.00 0.00 0.00 47.33 47.44 2ksy h GLY 128 CO 0.01 -0.29 -0.63 1.98 0.00 0.00 0.00 176.54 177.61 2ksy h MET 129 N 0.10 0.42 -0.60 4.80 1.85 -1.23 -2.92 114.93 117.35 2ksy h MET 129 Ca 0.42 -0.30 -0.04 0.00 -0.61 0.00 0.00 59.70 59.17 2ksy h MET 129 Cb 0.73 0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.78 2ksy h MET 129 CO -0.68 0.91 0.21 0.78 -0.40 0.00 0.00 176.91 177.74 2ksy h GLY 130 N 1.24 0.94 0.32 1.39 0.00 0.90 0.13 103.07 107.99 2ksy h GLY 130 Ca -0.01 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.81 2ksy h GLY 130 CO 0.11 0.47 -0.04 0.00 0.00 0.00 0.00 176.54 177.08 2ksy h ALA 131 N 1.37 -0.12 -0.85 3.60 0.00 -0.18 0.15 119.26 123.23 2ksy h ALA 131 Ca 0.20 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.92 2ksy h ALA 131 Cb 0.21 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 2ksy h ALA 131 CO -0.01 -0.23 0.50 0.28 0.00 0.00 0.00 179.25 179.79 2ksy h VAL 132 N -0.79 0.94 -0.34 0.00 2.07 -1.49 -0.58 116.25 116.06 2ksy h VAL 132 Ca -0.01 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.09 2ksy h VAL 132 Cb 0.59 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2ksy h VAL 132 CO 0.02 0.16 -0.31 0.00 0.02 0.00 0.00 177.57 177.45 2ksy h ALA 133 N 1.45 0.82 0.18 1.67 0.00 -1.00 -2.66 119.26 119.72 2ksy h ALA 133 Ca 0.40 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2ksy h ALA 133 Cb 0.33 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2ksy h ALA 133 CO -0.23 0.64 -0.27 0.35 0.00 0.00 0.00 179.25 179.74 2ksy h PHE 134 N 0.62 -0.73 -0.59 0.00 3.57 0.83 -0.74 116.94 119.90 2ksy h PHE 134 Ca 0.07 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.68 2ksy h PHE 134 Cb 0.83 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.83 2ksy h PHE 134 CO 0.04 -0.38 0.40 0.82 -2.23 0.00 0.00 178.31 176.96 2ksy h ILE 135 N -0.52 0.89 -0.87 1.41 2.04 -1.28 0.32 117.51 119.51 2ksy h ILE 135 Ca 0.01 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 2ksy h ILE 135 Cb 0.52 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 2ksy h ILE 135 CO -0.12 0.07 0.47 1.23 0.00 0.00 0.00 178.15 179.81 2ksy h GLY 136 N 0.40 1.31 0.57 5.37 0.00 -0.81 -0.55 103.07 109.35 2ksy h GLY 136 Ca 0.27 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2ksy h GLY 136 CO -0.07 0.57 -0.11 -2.00 0.00 0.00 0.00 176.54 174.93 2ksy h LEU 137 N 1.22 -0.26 -1.83 3.11 5.85 0.05 -2.36 115.31 121.10 2ksy h LEU 137 Ca 0.31 -0.25 0.12 0.00 0.84 0.00 0.00 57.88 58.89 2ksy h LEU 137 Cb 0.04 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2ksy h LEU 137 CO -0.05 0.16 0.36 -0.37 -0.34 0.00 0.00 178.44 178.20 2ksy h VAL 138 N -0.75 0.83 -0.53 1.05 -1.51 -1.27 0.17 116.25 114.23 2ksy h VAL 138 Ca -0.03 -0.06 -0.09 0.00 -1.23 0.00 0.00 66.70 65.28 2ksy h VAL 138 Cb 0.50 0.63 -0.02 0.00 -2.13 0.00 0.00 31.29 30.27 2ksy h VAL 138 CO 0.05 0.03 -0.04 0.22 -1.23 0.00 0.00 177.57 176.60 2ksy h TYR 139 N 0.18 1.02 -0.14 5.19 3.20 -0.97 -2.55 116.97 122.90 2ksy h TYR 139 Ca 0.24 -0.18 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 2ksy h TYR 139 Cb 0.72 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 2ksy h TYR 139 CO -0.00 0.94 -0.19 1.88 -1.64 0.00 0.00 178.16 179.15 2ksy h TYR 140 N 0.86 0.26 -0.32 -3.82 0.05 -0.13 0.30 116.97 114.16 2ksy h TYR 140 Ca 0.15 -0.04 -0.14 0.00 0.05 0.00 0.00 58.73 58.76 2ksy h TYR 140 Cb 0.56 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 38.23 2ksy h TYR 140 CO 0.03 0.42 -0.34 -0.07 -1.05 0.00 0.00 178.16 177.16 2ksy h LEU 141 N 0.22 0.86 0.00 3.88 3.38 -1.08 -2.92 115.31 119.65 2ksy h LEU 141 Ca 0.04 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2ksy h LEU 141 Cb 0.47 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2ksy h LEU 141 CO 0.03 1.16 -0.26 1.33 0.09 0.00 0.00 178.44 180.79 2ksy n VAL 142 N -4.17 0.06 0.00 1.22 0.24 -0.99 -3.05 118.33 111.63 2ksy n VAL 142 Ca -0.03 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 2ksy n VAL 142 Cb 0.51 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 2ksy n VAL 142 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ksy n GLY 143 N 1.48 0.35 0.17 7.63 0.00 0.10 -4.54 105.19 110.38 2ksy n GLY 143 Ca 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 0.02 -0.51 1.61 0.13 -1.85 -3.03 132.00 128.36 2ksy h PRO 144 Ca 0.00 -0.01 0.12 0.00 -0.87 0.00 0.00 66.00 65.25 2ksy h PRO 144 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2ksy h PRO 144 CO 0.00 0.48 0.35 0.52 -0.23 0.00 0.00 178.00 179.12 2ksy h MET 145 N 0.02 0.12 -0.18 0.86 2.86 -1.74 0.73 114.93 117.59 2ksy h MET 145 Ca -0.00 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.52 2ksy h MET 145 Cb 0.82 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.45 2ksy h MET 145 CO 0.06 0.08 -0.31 1.15 1.06 0.00 0.00 176.91 178.95 2ksy h THR 146 N 0.12 1.34 0.00 2.22 2.02 -1.45 -2.61 112.91 114.56 2ksy h THR 146 Ca 0.24 -1.54 -0.15 0.00 0.77 0.00 0.00 66.41 65.73 2ksy h THR 146 Cb 0.79 1.90 -0.02 0.00 -1.74 0.00 0.00 68.15 69.08 2ksy h THR 146 CO -0.03 0.47 -0.72 -0.33 0.37 0.00 0.00 175.52 175.28 2ksy h GLU 147 N 0.17 0.00 -0.11 6.66 5.08 -1.46 -2.28 114.58 122.65 2ksy h GLU 147 Ca 0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2ksy h GLU 147 Cb 0.90 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 2ksy h GLU 147 CO 0.07 0.72 -0.13 0.77 -1.00 0.00 0.00 179.01 179.44 2ksy h SER 148 N 0.00 0.30 0.22 1.42 0.02 -0.92 -2.79 113.55 111.79 2ksy h SER 148 Ca -0.01 -0.51 -0.17 0.00 -0.84 0.00 0.00 61.79 60.27 2ksy h SER 148 Cb 1.35 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 2ksy h SER 148 CO 0.09 0.74 -0.66 0.00 -1.14 0.00 0.00 176.83 175.87 2ksy h ALA 149 N 0.56 0.67 0.00 3.77 0.00 -1.54 -2.28 119.26 120.44 2ksy h ALA 149 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2ksy h ALA 149 Cb 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2ksy h ALA 149 CO 0.03 0.74 0.00 0.45 0.00 0.00 0.00 179.25 180.47 2ksy n SER 150 N -3.88 0.00 -0.00 0.00 2.88 -0.86 -2.17 113.62 109.59 2ksy n SER 150 Ca -0.04 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2ksy n SER 150 Cb 0.66 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 -1.41 2.65 -0.08 -1.46 6.02 -1.06 -4.74 117.38 117.30 2ksy n GLN 151 Ca 0.05 -1.39 -0.16 0.00 -0.01 0.00 0.00 57.00 55.50 2ksy n GLN 151 Cb 0.16 -0.94 -0.11 0.00 1.02 0.00 0.00 30.24 30.36 2ksy n GLN 151 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2ksy h ARG 152 N 0.00 0.00 -3.21 -1.09 1.12 -0.91 -3.50 114.38 106.79 2ksy h ARG 152 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2ksy h ARG 152 Cb 0.56 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.47 2ksy h ARG 152 CO 0.00 0.87 0.14 -1.12 -3.11 0.00 0.00 179.97 176.75 2ksy s SER 153 N -6.43 -0.09 0.11 -3.80 0.01 -1.25 -5.02 113.70 97.24 2ksy s SER 153 Ca -0.22 -0.86 -0.14 0.00 1.31 0.00 0.00 55.95 56.04 2ksy s SER 153 Cb 0.01 0.72 -0.07 0.00 0.21 0.00 0.00 66.02 66.90 2ksy s SER 153 CO 0.57 -1.38 1.45 -1.28 0.41 0.00 0.00 173.24 173.01 2ksy h SER 154 N 2.06 0.80 0.65 2.44 0.87 -1.93 -3.17 113.55 115.27 2ksy h SER 154 Ca -0.24 -0.45 -0.21 0.00 -1.23 0.00 0.00 61.79 59.65 2ksy h SER 154 Cb 1.25 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 2ksy h SER 154 CO 0.31 1.08 -0.96 1.23 -0.53 0.00 0.00 176.83 177.96 2ksy h GLY 155 N 0.52 0.20 0.83 5.77 0.00 -1.97 -3.28 103.07 105.15 2ksy h GLY 155 Ca 0.06 -0.40 0.07 0.00 0.00 0.00 0.00 47.33 47.05 2ksy h GLY 155 CO 0.07 0.35 0.59 -2.22 0.00 0.00 0.00 176.54 175.34 2ksy h ILE 156 N 0.09 1.06 -0.56 2.60 1.08 -1.84 -0.21 117.51 119.73 2ksy h ILE 156 Ca -0.05 -0.35 -0.02 0.00 -0.39 0.00 0.00 64.86 64.04 2ksy h ILE 156 Cb 1.62 -0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 35.29 2ksy h ILE 156 CO 0.15 0.19 0.26 0.50 -0.69 0.00 0.00 178.15 178.55 2ksy h LYS 157 N 1.02 0.80 -0.05 2.37 3.64 -1.61 0.25 116.57 122.99 2ksy h LYS 157 Ca 0.40 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 2ksy h LYS 157 Cb 0.22 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2ksy h LYS 157 CO -0.15 0.66 -0.09 0.66 -2.27 0.00 0.00 179.45 178.26 2ksy h SER 158 N 0.75 0.17 -0.65 4.20 4.64 -1.50 -1.28 113.55 119.88 2ksy h SER 158 Ca 0.19 -0.54 -0.02 0.00 -0.47 0.00 0.00 61.79 60.95 2ksy h SER 158 Cb 0.13 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 2ksy h SER 158 CO -0.02 0.68 0.33 0.25 -0.87 0.00 0.00 176.83 177.20 2ksy h LEU 159 N -0.34 0.84 -0.45 5.97 6.46 -1.03 -2.81 115.31 123.95 2ksy h LEU 159 Ca 0.00 -0.12 -0.17 0.00 -0.12 0.00 0.00 57.88 57.48 2ksy h LEU 159 Cb 0.65 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.36 2ksy h LEU 159 CO 0.02 0.72 -0.58 0.22 -0.62 0.00 0.00 178.44 178.20 2ksy h TYR 160 N 0.90 0.77 0.26 1.25 3.20 -1.00 -2.28 116.97 120.07 2ksy h TYR 160 Ca 0.23 -0.28 -0.00 0.00 3.14 0.00 0.00 58.73 61.81 2ksy h TYR 160 Cb 0.09 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 2ksy h TYR 160 CO -0.00 1.04 -0.19 0.28 -1.64 0.00 0.00 178.16 177.64 2ksy h VAL 161 N 0.46 0.58 -0.34 1.81 2.07 -1.02 -0.15 116.25 119.66 2ksy h VAL 161 Ca 0.00 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.38 2ksy h VAL 161 Cb 1.14 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2ksy h VAL 161 CO 0.11 0.00 -0.35 0.03 0.02 0.00 0.00 177.57 177.38 2ksy h ARG 162 N -0.46 0.84 0.55 1.57 3.08 -1.57 -2.53 114.38 115.85 2ksy h ARG 162 Ca -0.02 -0.45 -0.03 0.00 0.07 0.00 0.00 59.98 59.56 2ksy h ARG 162 Cb 0.40 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.48 2ksy h ARG 162 CO -0.00 1.09 -0.26 -0.07 -1.07 0.00 0.00 179.97 179.65 2ksy h LEU 163 N 0.62 -0.62 -0.80 3.04 4.07 -1.33 -2.84 115.31 117.44 2ksy h LEU 163 Ca 0.05 -0.03 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 2ksy h LEU 163 Cb 0.94 0.16 -0.04 0.00 1.08 0.00 0.00 40.66 42.80 2ksy h LEU 163 CO 0.09 -0.36 0.38 0.08 -1.08 0.00 0.00 178.44 177.55 2ksy h ARG 164 N -0.86 1.16 -0.02 1.13 -0.00 -1.12 -1.92 114.38 112.76 2ksy h ARG 164 Ca -0.08 -0.17 0.03 0.00 -0.00 0.00 0.00 59.98 59.76 2ksy h ARG 164 Cb 0.61 -0.21 -0.04 0.00 -0.00 0.00 0.00 29.97 30.33 2ksy h ARG 164 CO 0.12 0.90 -0.21 -0.91 -0.00 0.00 0.00 179.97 179.87 2ksy h ASN 165 N 1.14 -0.63 0.24 0.08 -0.26 -1.44 -1.40 115.58 113.30 2ksy h ASN 165 Ca 0.28 0.09 -0.09 0.00 -0.56 0.00 0.00 56.30 56.02 2ksy h ASN 165 Cb 0.12 0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.64 2ksy h ASN 165 CO -0.03 -0.28 -0.35 0.17 -1.06 0.00 0.00 177.43 175.88 2ksy h LEU 166 N -0.33 0.17 0.29 1.61 -0.00 -1.41 -2.90 115.31 112.74 2ksy h LEU 166 Ca 0.06 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2ksy h LEU 166 Cb 0.42 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 2ksy h LEU 166 CO -0.21 0.51 -0.15 0.74 -0.00 0.00 0.00 178.44 179.33 2ksy h THR 167 N 0.14 0.69 -0.89 0.15 2.02 -0.63 -2.48 112.91 111.91 2ksy h THR 167 Ca 0.02 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.23 2ksy h THR 167 Cb 0.69 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 2ksy h THR 167 CO 0.05 0.00 0.58 0.58 0.37 0.00 0.00 175.52 177.10 2ksy h VAL 168 N -0.41 1.16 0.49 3.16 2.07 -1.21 -0.81 116.25 120.70 2ksy h VAL 168 Ca -0.04 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 2ksy h VAL 168 Cb 0.32 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2ksy h VAL 168 CO 0.06 0.21 -0.25 0.58 0.02 0.00 0.00 177.57 178.18 2ksy h VAL 169 N 1.13 0.00 -0.59 2.57 2.07 -1.33 -0.61 116.25 119.49 2ksy h VAL 169 Ca 0.35 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.86 2ksy h VAL 169 Cb -0.03 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.71 2ksy h VAL 169 CO -0.11 0.00 0.33 0.17 0.02 0.00 0.00 177.57 177.98 2ksy h LEU 170 N -0.68 0.72 -1.26 2.57 8.10 -1.45 -1.76 115.31 121.54 2ksy h LEU 170 Ca -0.07 -0.05 -0.08 0.00 0.11 0.00 0.00 57.88 57.80 2ksy h LEU 170 Cb 0.53 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.56 2ksy h LEU 170 CO 0.10 0.58 -0.36 -0.50 -4.11 0.00 0.00 178.44 174.14 2ksy h TRP 171 N 0.82 0.00 0.00 0.17 4.06 -1.12 -1.99 115.95 117.88 2ksy h TRP 171 Ca 0.21 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.16 2ksy h TRP 171 Cb 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.17 2ksy h TRP 171 CO 0.00 0.36 0.00 0.00 -3.56 0.00 0.00 178.44 175.25 2ksy n ALA 172 N -2.44 2.00 0.12 1.49 0.00 -0.24 -2.28 120.51 119.15 2ksy n ALA 172 Ca -0.02 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.43 2ksy n ALA 172 Cb 0.41 -1.32 0.02 0.00 0.00 0.00 0.00 19.45 18.55 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 0.10 -0.42 0.00 1.08 -1.32 -3.37 117.51 113.59 2ksy h ILE 173 Ca 0.00 -1.19 0.07 0.00 -0.39 0.00 0.00 64.86 63.36 2ksy h ILE 173 Cb 0.23 1.69 -0.06 0.00 -3.07 0.00 0.00 36.82 35.61 2ksy h ILE 173 CO 0.00 0.06 0.03 1.88 -0.69 0.00 0.00 178.15 179.42 2ksy h TYR 174 N 0.00 0.02 -1.29 1.37 0.05 -1.54 -0.81 116.97 114.77 2ksy h TYR 174 Ca -0.02 0.03 0.37 0.00 0.05 0.00 0.00 58.73 59.16 2ksy h TYR 174 Cb 1.10 0.05 -0.07 0.00 1.01 0.00 0.00 36.73 38.82 2ksy h TYR 174 CO 0.00 -0.06 0.90 -1.35 -1.05 0.00 0.00 178.16 176.61 2ksy h PRO 175 N 0.14 0.08 0.24 4.88 0.11 -1.77 0.21 132.00 135.88 2ksy h PRO 175 Ca 0.21 -0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.99 2ksy h PRO 175 Cb 0.29 -0.02 0.04 0.00 0.11 0.00 0.00 31.00 31.41 2ksy h PRO 175 CO -0.32 0.05 -1.40 0.74 -0.21 0.00 0.00 178.00 176.86 2ksy h PHE 176 N 0.08 0.92 -0.57 0.65 0.04 -1.41 -2.67 116.94 113.98 2ksy h PHE 176 Ca 0.65 -0.67 -0.07 0.00 2.80 0.00 0.00 57.97 60.68 2ksy h PHE 176 Cb 2.39 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 40.48 2ksy h PHE 176 CO -0.00 1.54 0.09 0.82 -0.60 0.00 0.00 178.31 180.16 2ksy h ILE 177 N 0.07 1.26 -0.08 -0.55 1.08 -0.22 0.55 117.51 119.62 2ksy h ILE 177 Ca -0.25 -0.98 -0.12 0.00 -0.39 0.00 0.00 64.86 63.12 2ksy h ILE 177 Cb 2.10 0.78 0.01 0.00 -3.07 0.00 0.00 36.82 36.63 2ksy h ILE 177 CO 0.26 0.36 -0.43 -0.25 -0.69 0.00 0.00 178.15 177.39 2ksy h TRP 178 N 0.85 0.58 0.15 1.37 7.01 -1.30 0.13 115.95 124.74 2ksy h TRP 178 Ca 0.17 -0.26 -0.01 0.00 2.11 0.00 0.00 58.89 60.90 2ksy h TRP 178 Cb 0.42 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.39 2ksy h TRP 178 CO 0.03 1.03 -0.07 1.25 -2.79 0.00 0.00 178.44 177.89 2ksy h LEU 179 N -0.03 -0.17 0.05 0.65 7.12 -1.44 -0.34 115.31 121.16 2ksy h LEU 179 Ca -0.03 -0.17 -0.15 0.00 0.13 0.00 0.00 57.88 57.66 2ksy h LEU 179 Cb 1.09 0.04 0.01 0.00 -0.53 0.00 0.00 40.66 41.28 2ksy h LEU 179 CO 0.09 0.07 -0.61 -0.07 -0.13 0.00 0.00 178.44 177.79 2ksy h LEU 180 N -0.42 0.45 -9.84 2.25 3.38 -1.00 0.67 115.31 110.80 2ksy h LEU 180 Ca -0.02 -0.84 -0.38 0.00 0.09 0.00 0.00 57.88 56.73 2ksy h LEU 180 Cb 0.33 -0.14 0.21 0.00 0.09 0.00 0.00 40.66 41.15 2ksy h LEU 180 CO 0.03 1.24 -0.26 0.61 0.09 0.00 0.00 178.44 180.15 2ksy n GLY 181 N 1.30 -2.95 0.30 0.83 0.00 0.44 -0.52 105.19 104.60 2ksy n GLY 181 Ca -0.11 -1.30 0.11 0.00 0.00 0.00 0.00 46.02 44.72 2ksy n GLY 181 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ksy h PRO 182 N -3.03 0.15 0.00 1.61 0.13 -1.83 0.17 132.00 129.19 2ksy h PRO 182 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2ksy h PRO 182 Cb 1.26 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2ksy h PRO 182 CO 0.34 0.10 0.02 -0.35 -0.23 0.00 0.00 178.00 177.87 2ksy n PRO 183 N -5.30 0.00 0.00 1.56 -0.04 -1.26 -4.16 135.00 125.80 2ksy n PRO 183 Ca 0.20 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 2ksy n PRO 183 Cb 0.64 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2ksy n PRO 183 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ksy n GLY 184 N -1.20 0.53 0.00 0.55 0.00 0.47 -4.34 105.19 101.21 2ksy n GLY 184 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.21 0.00 -2.94 1.61 0.24 0.23 -4.99 118.33 112.27 2ksy n VAL 185 Ca 0.00 -0.41 -0.02 0.00 -2.04 0.00 0.00 64.34 61.87 2ksy n VAL 185 Cb 0.00 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 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 -0.38 -2.85 -0.11 2.33 0.00 0.32 -4.93 120.51 114.90 2ksy n ALA 186 Ca 0.00 0.35 -0.23 0.00 0.00 0.00 0.00 53.44 53.56 2ksy n ALA 186 Cb 0.02 -1.05 -0.11 0.00 0.00 0.00 0.00 19.45 18.31 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 0.82 1.93 0.00 0.00 4.77 -0.34 -4.92 117.00 119.26 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 0.25 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 2ksy n LEU 187 CO 0.29 0.37 0.00 0.18 -1.33 0.00 0.00 177.39 176.89 2ksy n LEU 188 N -4.34 0.00 -3.53 2.23 4.77 -1.26 -5.13 117.00 109.74 2ksy n LEU 188 Ca -0.36 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.44 2ksy n LEU 188 Cb 0.74 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.77 2ksy n LEU 188 CO 0.17 0.00 0.45 0.28 -1.33 0.00 0.00 177.39 176.97 2ksy s THR 189 N 0.37 0.00 0.27 -5.08 -1.32 -1.26 -5.05 115.64 103.57 2ksy s THR 189 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2ksy s THR 189 Cb 0.00 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.25 2ksy s THR 189 CO 0.00 0.00 1.73 -0.65 -2.21 0.00 0.00 174.62 173.49 2ksy h PRO 190 N 3.11 0.48 -0.50 7.08 0.11 -2.00 -1.33 132.00 138.96 2ksy h PRO 190 Ca -0.27 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.88 2ksy h PRO 190 Cb 1.14 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 2ksy h PRO 190 CO 0.36 0.32 0.18 1.79 -0.21 0.00 0.00 178.00 180.45 2ksy h THR 191 N 0.50 0.84 0.04 -1.15 1.35 -1.98 0.43 112.91 112.92 2ksy h THR 191 Ca 0.49 -0.12 -0.00 0.00 -0.55 0.00 0.00 66.41 66.22 2ksy h THR 191 Cb 0.81 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 2ksy h THR 191 CO -0.44 0.07 -0.02 0.58 -0.25 0.00 0.00 175.52 175.46 2ksy h VAL 192 N 0.36 1.25 -0.27 6.82 2.07 -1.71 -2.34 116.25 122.44 2ksy h VAL 192 Ca 0.24 -0.95 0.05 0.00 0.82 0.00 0.00 66.70 66.86 2ksy h VAL 192 Cb 0.25 1.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 2ksy h VAL 192 CO -0.24 0.24 -0.03 -0.78 0.02 0.00 0.00 177.57 176.78 2ksy h ASP 193 N -0.47 -0.17 -0.66 0.57 3.58 -1.08 -1.52 116.42 116.66 2ksy h ASP 193 Ca -0.00 0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.53 2ksy h ASP 193 Cb 0.43 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.58 2ksy h ASP 193 CO 0.01 -0.05 0.44 0.58 -2.88 0.00 0.00 179.24 177.34 2ksy h VAL 194 N 0.04 1.15 -0.37 2.25 2.07 -0.96 -1.35 116.25 119.07 2ksy h VAL 194 Ca 0.13 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.37 2ksy h VAL 194 Cb 0.18 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 2ksy h VAL 194 CO -0.25 0.16 0.21 0.00 0.02 0.00 0.00 177.57 177.71 2ksy h ALA 195 N 1.60 0.47 -0.51 1.67 0.00 -0.71 0.14 119.26 121.91 2ksy h ALA 195 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 2ksy h ALA 195 Cb -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2ksy h ALA 195 CO -0.06 -0.15 -0.16 -0.07 0.00 0.00 0.00 179.25 178.81 2ksy h LEU 196 N 0.42 1.03 1.00 0.00 3.38 -0.97 -1.12 115.31 119.05 2ksy h LEU 196 Ca 0.15 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 2ksy h LEU 196 Cb 0.03 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.51 2ksy h LEU 196 CO -0.09 1.17 -0.48 0.40 0.09 0.00 0.00 178.44 179.53 2ksy h ILE 197 N 0.88 0.01 -0.84 1.22 1.08 -0.85 0.32 117.51 119.32 2ksy h ILE 197 Ca 0.12 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.78 2ksy h ILE 197 Cb 0.74 0.01 -0.06 0.00 -3.07 0.00 0.00 36.82 34.44 2ksy h ILE 197 CO 0.06 0.00 0.56 0.58 -0.69 0.00 0.00 178.15 178.66 2ksy h VAL 198 N -1.35 0.71 -0.18 1.67 2.07 -0.76 0.30 116.25 118.71 2ksy h VAL 198 Ca -0.14 -0.13 -0.14 0.00 0.82 0.00 0.00 66.70 67.12 2ksy h VAL 198 Cb 1.03 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2ksy h VAL 198 CO 0.23 0.07 -0.46 0.22 0.02 0.00 0.00 177.57 177.64 2ksy h TYR 199 N 0.37 0.56 -0.46 1.57 3.20 -0.62 -2.29 116.97 119.31 2ksy h TYR 199 Ca 0.43 -0.17 -0.12 0.00 3.14 0.00 0.00 58.73 62.00 2ksy h TYR 199 Cb 1.09 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 2ksy h TYR 199 CO -0.00 0.84 -0.21 -0.07 -1.64 0.00 0.00 178.16 177.08 2ksy h LEU 200 N 0.37 0.94 -0.68 2.82 3.38 0.33 -2.09 115.31 120.39 2ksy h LEU 200 Ca 0.02 -0.35 -0.14 0.00 0.09 0.00 0.00 57.88 57.50 2ksy h LEU 200 Cb 0.95 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2ksy h LEU 200 CO 0.08 1.11 -0.60 0.44 0.09 0.00 0.00 178.44 179.57 2ksy h ASP 201 N 0.80 0.23 -0.02 -0.43 5.19 -1.25 -2.68 116.42 118.27 2ksy h ASP 201 Ca 0.11 -0.13 -0.16 0.00 -0.62 0.00 0.00 57.03 56.23 2ksy h ASP 201 Cb 0.76 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.20 2ksy h ASP 201 CO 0.06 0.78 -0.52 -0.07 -3.12 0.00 0.00 179.24 176.37 2ksy h LEU 202 N 0.15 0.65 -0.25 1.55 3.38 -1.23 -3.22 115.31 116.33 2ksy h LEU 202 Ca -0.01 -0.33 -0.21 0.00 0.09 0.00 0.00 57.88 57.42 2ksy h LEU 202 Cb 1.10 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2ksy h LEU 202 CO 0.09 1.05 -0.84 1.62 0.09 0.00 0.00 178.44 180.45 2ksy h VAL 203 N 0.46 1.37 0.00 1.22 3.04 -1.34 -1.68 116.25 119.31 2ksy h VAL 203 Ca 0.02 -2.25 0.00 0.00 -1.01 0.00 0.00 66.70 63.46 2ksy h VAL 203 Cb 1.06 2.24 0.00 0.00 -2.01 0.00 0.00 31.29 32.58 2ksy h VAL 203 CO 0.10 0.68 0.00 0.41 -1.01 0.00 0.00 177.57 177.75 2ksy n THR 204 N -3.81 0.00 0.00 3.17 -1.04 -1.02 -0.76 114.28 110.82 2ksy n THR 204 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 2ksy n THR 204 Cb 0.78 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 -0.96 0.00 0.28 12.58 0.31 -0.65 -2.51 118.33 127.38 2ksy n VAL 206 Ca 0.09 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.26 2ksy n VAL 206 Cb 0.04 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.89 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 -0.71 1.01 2.92 0.00 -0.77 -0.71 103.07 104.81 2ksy h GLY 207 Ca 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 2ksy h GLY 207 CO 0.00 -0.26 0.47 0.74 0.00 0.00 0.00 176.54 177.49 2ksy h PHE 208 N -0.75 1.06 -0.81 5.60 0.04 -1.41 -2.08 116.94 118.59 2ksy h PHE 208 Ca -0.07 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.74 2ksy h PHE 208 Cb 0.56 -0.35 -0.05 0.00 2.20 0.00 0.00 35.95 38.31 2ksy h PHE 208 CO -0.02 0.72 0.53 0.78 -0.60 0.00 0.00 178.31 179.71 2ksy h GLY 209 N 1.09 1.13 0.59 -1.45 0.00 -1.74 1.88 103.07 104.57 2ksy h GLY 209 Ca 0.28 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 2ksy h GLY 209 CO -0.05 0.31 -0.01 0.74 0.00 0.00 0.00 176.54 177.52 2ksy h PHE 210 N 0.95 0.05 0.00 5.60 0.04 -0.57 0.20 116.94 123.21 2ksy h PHE 210 Ca 0.33 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.06 2ksy h PHE 210 Cb 0.12 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.25 2ksy h PHE 210 CO -0.00 0.47 -0.12 0.82 -0.60 0.00 0.00 178.31 178.88 2ksy h ILE 211 N -0.38 0.83 -0.40 -0.55 2.04 -0.95 -1.43 117.51 116.67 2ksy h ILE 211 Ca 0.00 -0.45 -0.12 0.00 1.00 0.00 0.00 64.86 65.29 2ksy h ILE 211 Cb 0.46 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 2ksy h ILE 211 CO 0.00 0.12 -0.23 0.00 0.00 0.00 0.00 178.15 178.04 2ksy h ALA 212 N 1.88 0.83 0.13 1.87 0.00 0.36 -1.80 119.26 122.53 2ksy h ALA 212 Ca -0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2ksy h ALA 212 Cb 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2ksy h ALA 212 CO 0.02 0.64 -0.06 -0.07 0.00 0.00 0.00 179.25 179.78 2ksy h LEU 213 N 0.71 -0.14 0.11 0.00 3.38 0.43 -1.53 115.31 118.27 2ksy h LEU 213 Ca 0.09 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.69 2ksy h LEU 213 Cb 0.76 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2ksy h LEU 213 CO 0.06 0.35 -0.14 0.44 0.09 0.00 0.00 178.44 179.24 2ksy h ASP 214 N -0.68 -0.38 0.18 -0.43 3.32 -1.44 0.22 116.42 117.21 2ksy h ASP 214 Ca -0.02 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.08 2ksy h ASP 214 Cb 0.51 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 2ksy h ASP 214 CO 0.03 -0.21 -0.20 0.00 -1.72 0.00 0.00 179.24 177.14 2ksy h ALA 215 N 0.56 -0.39 -0.14 3.45 0.00 -1.42 -2.08 119.26 119.24 2ksy h ALA 215 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ksy h ALA 215 Cb 0.29 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2ksy h ALA 215 CO -0.06 -0.75 0.09 0.00 0.00 0.00 0.00 179.25 178.53 2ksy h ALA 216 N 0.34 1.91 -0.75 0.00 0.00 -1.15 -1.40 119.26 118.19 2ksy h ALA 216 Ca 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2ksy h ALA 216 Cb 0.41 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2ksy h ALA 216 CO -0.07 0.09 0.36 0.00 0.00 0.00 0.00 179.25 179.63 2ksy h ALA 217 N 1.92 1.21 -0.10 0.00 0.00 0.11 -1.82 119.26 120.58 2ksy h ALA 217 Ca 0.05 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 2ksy h ALA 217 Cb -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2ksy h ALA 217 CO -0.01 0.60 -0.62 1.15 0.00 0.00 0.00 179.25 180.37 2ksy h THR 218 N 1.07 1.37 -0.70 0.00 2.02 -0.82 -0.45 112.91 115.40 2ksy h THR 218 Ca 0.26 -1.98 -0.04 0.00 0.77 0.00 0.00 66.41 65.42 2ksy h THR 218 Cb 0.11 1.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 2ksy h THR 218 CO -0.03 0.59 0.28 -0.07 0.37 0.00 0.00 175.52 176.66 2ksy h LEU 219 N 0.25 0.97 0.00 2.58 3.38 -0.82 -0.22 115.31 121.44 2ksy h LEU 219 Ca -0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2ksy h LEU 219 Cb 1.15 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2ksy h LEU 219 CO 0.10 0.88 -0.47 0.08 0.09 0.00 0.00 178.44 179.12 2ksy h ARG 220 N 1.00 0.00 0.00 1.13 -0.00 -1.32 -3.32 114.38 111.88 2ksy h ARG 220 Ca 0.23 0.00 -0.11 0.00 -0.00 0.00 0.00 59.98 60.10 2ksy h ARG 220 Cb 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.16 2ksy h ARG 220 CO -0.02 0.00 -0.71 0.00 -0.00 0.00 0.00 179.97 179.24 2ksy h ALA 221 N 2.01 0.67 0.00 0.08 0.00 -0.68 -3.24 119.26 118.10 2ksy h ALA 221 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2ksy h ALA 221 Cb 0.99 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2ksy h ALA 221 CO 0.00 0.64 0.00 -0.85 0.00 0.00 0.00 179.25 179.04 2ksy n GLU 222 N -3.12 0.14 -0.08 0.00 0.28 -0.13 -3.57 120.64 114.16 2ksy n GLU 222 Ca -0.01 0.14 -0.08 0.00 -0.16 0.00 0.00 57.16 57.05 2ksy n GLU 222 Cb 0.74 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 32.08 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 -1.39 0.69 -1.74 -1.84 8.25 -1.22 -5.10 115.22 112.87 2ksy n HIS 223 Ca 0.07 0.30 -0.01 0.00 -0.26 0.00 0.00 57.72 57.82 2ksy n HIS 223 Cb 0.19 -0.75 -0.01 0.00 1.12 0.00 0.00 29.99 30.54 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 1.55 -3.36 3.66 -1.41 0.00 -1.23 -4.88 105.19 99.51 2ksy n GLY 224 Ca -0.13 0.03 -0.48 0.00 0.00 0.00 0.00 46.02 45.45 2ksy n GLY 224 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ksy n GLU 225 N 0.30 2.13 -2.57 1.61 2.13 -1.26 -4.94 120.64 118.04 2ksy n GLU 225 Ca -0.07 0.76 -0.35 0.00 0.66 0.00 0.00 57.16 58.16 2ksy n GLU 225 Cb 0.10 -2.70 -0.04 0.00 0.27 0.00 0.00 31.44 29.07 2ksy n GLU 225 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2ksy s SER 226 N 4.65 6.65 0.23 4.31 0.15 -1.26 -5.00 113.70 123.44 2ksy s SER 226 Ca 0.94 1.97 -0.30 0.00 0.70 0.00 0.00 55.95 59.27 2ksy s SER 226 Cb -0.66 -2.57 -0.09 0.00 -1.71 0.00 0.00 66.02 60.98 2ksy s SER 226 CO 0.50 -0.57 1.35 -0.76 1.20 0.00 0.00 173.24 174.96 2ksy s LEU 227 N -2.94 4.41 -0.10 3.45 1.43 -1.26 -5.02 118.68 118.64 2ksy s LEU 227 Ca 0.61 2.53 -0.04 0.00 -1.03 0.00 0.00 54.13 56.20 2ksy s LEU 227 Cb -0.19 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.46 2ksy s LEU 227 CO 0.24 -0.58 0.21 0.00 0.23 0.00 0.00 176.35 176.45 2ksy s ALA 228 N -0.11 -0.40 0.00 4.21 0.00 -1.26 -5.06 121.76 119.15 2ksy s ALA 228 Ca 0.56 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.32 2ksy s ALA 228 Cb -0.39 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 21.91 2ksy s ALA 228 CO 0.42 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.10 2ksy n GLY 229 N 5.01 1.23 3.61 0.00 0.00 -1.26 -4.64 105.19 109.14 2ksy n GLY 229 Ca -0.11 0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 4.11 -0.67 1.61 1.01 -1.26 -4.97 120.40 120.23 2ksy s VAL 230 Ca 0.00 1.18 -0.24 0.00 0.00 0.00 0.00 61.98 62.92 2ksy s VAL 230 Cb 0.00 -4.33 0.06 0.00 0.00 0.00 0.00 36.38 32.10 2ksy s VAL 230 CO 0.00 -0.74 1.05 -1.81 0.00 0.00 0.00 175.10 173.60 2ksy s ASP 231 N 2.99 6.19 -0.25 3.32 1.11 -1.26 -4.97 116.67 123.80 2ksy s ASP 231 Ca 0.54 -0.76 -0.24 0.00 0.18 0.00 0.00 52.55 52.27 2ksy s ASP 231 Cb -0.12 -2.46 0.07 0.00 1.07 0.00 0.00 42.92 41.47 2ksy s ASP 231 CO 0.28 -1.52 0.68 0.28 1.18 0.00 0.00 175.17 176.07 2ksy s THR 232 N 4.50 0.00 0.14 -1.27 -1.32 -1.26 -5.05 115.64 111.38 2ksy s THR 232 Ca 0.27 -0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.75 2ksy s THR 232 Cb -0.14 -0.94 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 2ksy s THR 232 CO 0.13 -0.00 0.00 -0.67 -2.21 0.00 0.00 174.62 171.87 2ksy n ASP 233 N 2.68 -1.10 -3.25 8.08 2.03 -1.26 -5.09 116.55 118.64 2ksy n ASP 233 Ca -0.14 0.26 -0.05 0.00 0.52 0.00 0.00 54.79 55.38 2ksy n ASP 233 Cb 0.55 1.31 -0.04 0.00 -0.72 0.00 0.00 41.12 42.23 2ksy n ASP 233 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2ksy s THR 234 N -2.00 -0.76 0.63 5.18 2.01 -1.26 -5.01 115.64 114.43 2ksy s THR 234 Ca 0.00 -0.25 0.34 0.00 0.31 0.00 0.00 61.69 62.10 2ksy s THR 234 Cb 0.00 -0.80 0.38 0.00 0.01 0.00 0.00 72.50 72.09 2ksy s THR 234 CO 0.00 -0.20 2.19 -0.65 -0.69 0.00 0.00 174.62 175.28 2ksy h PRO 235 N 7.81 0.00 -7.49 4.92 0.11 -2.00 -3.43 132.00 131.92 2ksy h PRO 235 Ca -0.03 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.64 2ksy h PRO 235 Cb 1.14 0.00 0.16 0.00 0.11 0.00 0.00 31.00 32.41 2ksy h PRO 235 CO 0.20 0.00 0.25 0.00 -0.21 0.00 0.00 178.00 178.24 2ksy s ALA 236 N -4.40 1.35 -0.01 -0.75 0.00 -1.26 -5.09 121.76 111.61 2ksy s ALA 236 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2ksy s ALA 236 Cb 0.13 -2.97 0.01 0.00 0.00 0.00 0.00 23.12 20.30 2ksy s ALA 236 CO 0.46 -2.79 0.01 0.54 0.00 0.00 0.00 175.76 173.98 2ksy s VAL 237 N -3.23 0.01 0.16 0.00 0.11 -1.26 -5.05 120.40 111.14 2ksy s VAL 237 Ca 0.68 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.78 2ksy s VAL 237 Cb -0.12 -0.06 0.00 0.00 -1.53 0.00 0.00 36.38 34.67 2ksy s VAL 237 CO 0.55 0.04 0.00 0.00 -3.33 0.00 0.00 175.10 172.35 2ksy n ALA 238 N 3.41 3.00 -3.77 1.54 0.00 -1.26 -5.14 120.51 118.29 2ksy n ALA 238 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.00 2ksy n ALA 238 Cb 0.57 0.02 0.01 0.00 0.00 0.00 0.00 19.45 20.05 2ksy n ALA 238 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ksy n ASP 239 N -3.10 2.63 -4.45 0.00 9.92 -1.26 -5.12 116.55 115.19 2ksy n ASP 239 Ca 0.00 -2.80 -0.36 0.00 -0.53 0.00 0.00 54.79 51.10 2ksy n ASP 239 Cb 0.00 -0.09 -0.12 0.00 -0.64 0.00 0.00 41.12 40.27 2ksy n ASP 239 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2ksy s LEU 240 N 0.00 3.36 -0.19 0.64 2.01 -1.26 -4.97 118.68 118.27 2ksy s LEU 240 Ca 0.34 -0.20 -0.03 0.00 0.01 0.00 0.00 54.13 54.25 2ksy s LEU 240 Cb -0.03 -1.88 -0.21 0.00 0.01 0.00 0.00 46.19 44.08 2ksy s LEU 240 CO 0.22 0.01 0.06 -0.62 1.01 0.00 0.00 176.35 177.02 2ksy n GLU 241 N 4.64 0.70 -2.39 1.70 1.02 -1.26 -4.97 120.64 120.08 2ksy n GLU 241 Ca -0.17 0.21 -0.26 0.00 -0.02 0.00 0.00 57.16 56.93 2ksy n GLU 241 Cb 0.51 -1.61 0.04 0.00 -0.02 0.00 0.00 31.44 30.37 2ksy n GLU 241 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2ksy s HIS 242 N -2.54 3.10 0.00 -0.32 -3.43 -1.26 -5.04 115.29 105.80 2ksy s HIS 242 Ca -0.29 0.49 0.00 0.00 -0.80 0.00 0.00 55.06 54.46 2ksy s HIS 242 Cb 0.08 -2.87 0.00 0.00 -1.43 0.00 0.00 32.58 28.36 2ksy s HIS 242 CO 0.68 -1.00 0.00 0.72 -2.00 0.00 0.00 174.74 173.14 2ksy n HIS 243 N -2.65 0.00 -1.83 0.38 8.25 -1.26 -5.16 115.22 112.96 2ksy n HIS 243 Ca 0.06 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.67 2ksy n HIS 243 Cb 0.59 0.35 -0.04 0.00 1.12 0.00 0.00 29.99 32.01 2ksy n HIS 243 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2ksy n HIS 244 N -2.22 -3.29 -3.74 4.41 8.25 -1.26 -5.01 115.22 112.36 2ksy n HIS 244 Ca 0.00 1.42 -0.10 0.00 -0.26 0.00 0.00 57.72 58.78 2ksy n HIS 244 Cb 0.00 -2.59 -0.04 0.00 1.12 0.00 0.00 29.99 28.48 2ksy n HIS 244 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2ksy s HIS 245 N -1.81 -0.07 -0.16 4.41 -3.43 -1.26 -5.06 115.29 107.91 2ksy s HIS 245 Ca 0.00 -0.27 0.19 0.00 -0.80 0.00 0.00 55.06 54.18 2ksy s HIS 245 Cb 0.00 0.29 -0.26 0.00 -1.43 0.00 0.00 32.58 31.18 2ksy s HIS 245 CO 0.00 -0.82 0.21 -2.39 -2.00 0.00 0.00 174.74 169.73 2ksy n HIS 246 N -0.29 0.08 -1.40 0.38 1.44 -1.26 -5.36 115.22 108.82 2ksy n HIS 246 Ca -0.11 0.03 0.00 0.00 -2.01 0.00 0.00 57.72 55.62 2ksy n HIS 246 Cb 0.63 -0.91 0.00 0.00 0.12 0.00 0.00 29.99 29.83 2ksy n HIS 246 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11