#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 -0.04 3.17 3.14 -1.26 -5.01 118.33 118.32 2ksy n VAL 2 Ca 0.00 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.30 2ksy n VAL 2 Cb 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.74 2ksy n VAL 2 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ksy n GLY 3 N -0.76 -0.13 0.35 7.55 0.00 -1.26 -4.66 105.19 106.27 2ksy n GLY 3 Ca 0.00 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.15 0.54 -1.22 0.99 5.85 -1.98 -1.86 115.31 117.48 2ksy h LEU 4 Ca -0.21 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.64 2ksy h LEU 4 Cb 1.25 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.11 2ksy h LEU 4 CO -0.08 0.34 0.58 0.71 -0.34 0.00 0.00 178.44 179.65 2ksy h THR 5 N 0.61 0.90 -0.82 1.05 1.35 -1.84 -1.31 112.91 112.84 2ksy h THR 5 Ca 0.30 -0.28 0.16 0.00 -0.55 0.00 0.00 66.41 66.04 2ksy h THR 5 Cb 0.37 0.02 -0.06 0.00 -1.73 0.00 0.00 68.15 66.76 2ksy h THR 5 CO -0.10 0.15 0.54 0.71 -0.25 0.00 0.00 175.52 176.57 2ksy h THR 6 N 0.80 0.79 0.25 6.82 1.35 -1.61 -2.00 112.91 119.32 2ksy h THR 6 Ca 0.44 -0.17 -0.00 0.00 -0.55 0.00 0.00 66.41 66.12 2ksy h THR 6 Cb 0.57 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 67.22 2ksy h THR 6 CO -0.20 0.09 -0.18 -0.07 -0.25 0.00 0.00 175.52 174.91 2ksy h LEU 7 N 0.50 -0.46 -1.71 3.87 4.07 -1.37 -1.44 115.31 118.77 2ksy h LEU 7 Ca 0.41 0.03 -0.00 0.00 0.08 0.00 0.00 57.88 58.40 2ksy h LEU 7 Cb 0.86 0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.74 2ksy h LEU 7 CO -0.16 -0.28 0.14 -0.26 -1.08 0.00 0.00 178.44 176.80 2ksy h PHE 8 N -0.44 0.31 -0.41 1.13 0.04 -1.47 -1.26 116.94 114.85 2ksy h PHE 8 Ca -0.02 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 2ksy h PHE 8 Cb 0.38 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 2ksy h PHE 8 CO -0.11 0.22 0.11 -1.49 -0.60 0.00 0.00 178.31 176.44 2ksy h TRP 9 N 0.33 0.68 -0.53 -0.55 -0.00 -0.91 -1.49 115.95 113.48 2ksy h TRP 9 Ca 0.09 -0.08 -0.05 0.00 -0.00 0.00 0.00 58.89 58.85 2ksy h TRP 9 Cb 0.00 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.16 28.95 2ksy h TRP 9 CO 0.00 0.64 0.14 -0.07 -0.00 0.00 0.00 178.44 179.15 2ksy h LEU 10 N 0.52 0.75 -0.98 -4.49 3.38 -0.43 -2.34 115.31 111.72 2ksy h LEU 10 Ca 0.13 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2ksy h LEU 10 Cb 0.30 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2ksy h LEU 10 CO -0.00 0.73 0.09 1.23 0.09 0.00 0.00 178.44 180.58 2ksy h GLY 11 N 0.95 0.89 1.31 0.83 0.00 -0.82 -2.52 103.07 103.71 2ksy h GLY 11 Ca 0.17 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 2ksy h GLY 11 CO -0.00 0.51 -0.01 0.00 0.00 0.00 0.00 176.54 177.04 2ksy h ALA 12 N 1.31 1.05 -0.02 3.60 0.00 -0.76 -2.49 119.26 121.94 2ksy h ALA 12 Ca 0.17 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2ksy h ALA 12 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2ksy h ALA 12 CO 0.01 0.59 -0.02 0.82 0.00 0.00 0.00 179.25 180.65 2ksy h ILE 13 N 0.78 0.94 -0.59 0.00 1.08 -1.07 -1.42 117.51 117.23 2ksy h ILE 13 Ca 0.15 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.66 2ksy h ILE 13 Cb 0.48 0.94 -0.03 0.00 -3.07 0.00 0.00 36.82 35.13 2ksy h ILE 13 CO 0.02 0.00 0.39 1.23 -0.69 0.00 0.00 178.15 179.10 2ksy h GLY 14 N -0.03 0.76 0.96 5.37 0.00 -1.31 -2.07 103.07 106.74 2ksy h GLY 14 Ca 0.02 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 2ksy h GLY 14 CO -0.04 0.21 -0.01 -0.33 0.00 0.00 0.00 176.54 176.37 2ksy h MET 15 N 0.64 0.73 -0.71 4.80 2.86 -0.96 -2.68 114.93 119.61 2ksy h MET 15 Ca 0.24 -0.24 0.07 0.00 -2.06 0.00 0.00 59.70 57.72 2ksy h MET 15 Cb 0.16 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.70 2ksy h MET 15 CO -0.07 0.82 0.39 1.25 1.06 0.00 0.00 176.91 180.35 2ksy h LEU 16 N 0.55 0.55 -0.33 1.22 7.12 -0.58 0.19 115.31 124.04 2ksy h LEU 16 Ca 0.11 0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.16 2ksy h LEU 16 Cb 0.50 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 40.55 2ksy h LEU 16 CO 0.02 0.34 0.20 0.58 -0.13 0.00 0.00 178.44 179.46 2ksy h VAL 17 N 0.69 1.11 -0.05 1.05 2.07 -1.34 -2.42 116.25 117.36 2ksy h VAL 17 Ca 0.33 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 2ksy h VAL 17 Cb 0.26 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2ksy h VAL 17 CO -0.22 0.11 0.00 1.23 0.02 0.00 0.00 177.57 178.71 2ksy h GLY 18 N 0.43 0.09 -0.04 2.17 0.00 -1.06 -2.15 103.07 102.52 2ksy h GLY 18 Ca 0.12 -0.07 0.19 0.00 0.00 0.00 0.00 47.33 47.57 2ksy h GLY 18 CO -0.02 0.06 0.39 -0.84 0.00 0.00 0.00 176.54 176.13 2ksy h THR 19 N -0.20 0.57 -0.18 4.70 2.02 -0.57 -0.22 112.91 119.02 2ksy h THR 19 Ca 0.01 -0.16 -0.16 0.00 0.77 0.00 0.00 66.41 66.87 2ksy h THR 19 Cb 0.33 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2ksy h THR 19 CO 0.00 0.08 -0.52 -0.07 0.37 0.00 0.00 175.52 175.38 2ksy h LEU 20 N 0.46 0.76 -1.83 2.58 3.38 -1.40 -0.72 115.31 118.55 2ksy h LEU 20 Ca 0.51 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2ksy h LEU 20 Cb 0.88 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2ksy h LEU 20 CO -0.47 1.22 -0.08 0.00 0.09 0.00 0.00 178.44 179.21 2ksy h ALA 21 N 0.56 1.86 0.01 1.53 0.00 -0.49 -0.19 119.26 122.54 2ksy h ALA 21 Ca -0.02 -0.07 -0.30 0.00 0.00 0.00 0.00 54.91 54.52 2ksy h ALA 21 Cb 1.14 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 2ksy h ALA 21 CO 0.11 0.11 -1.78 1.19 0.00 0.00 0.00 179.25 178.88 2ksy n PHE 22 N -4.44 0.95 -0.02 0.00 3.72 -0.23 -3.46 117.46 113.98 2ksy n PHE 22 Ca -0.03 0.33 -0.13 0.00 -0.05 0.00 0.00 57.45 57.57 2ksy n PHE 22 Cb 0.16 -1.17 -0.10 0.00 -0.94 0.00 0.00 39.48 37.42 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 0.93 -0.02 -0.58 4.37 0.00 -0.74 0.17 119.26 123.40 2ksy h ALA 23 Ca -0.31 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 2ksy h ALA 23 Cb 2.03 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.80 2ksy h ALA 23 CO 0.08 -0.20 0.26 2.35 0.00 0.00 0.00 179.25 181.74 2ksy h TRP 24 N -0.64 0.85 0.00 0.00 2.91 -1.24 -2.28 115.95 115.55 2ksy h TRP 24 Ca -0.00 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.97 2ksy h TRP 24 Cb 0.61 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 29.00 2ksy h TRP 24 CO 0.14 0.66 -0.01 0.00 -1.03 0.00 0.00 178.44 178.20 2ksy h ALA 25 N 1.10 0.99 -0.06 2.65 0.00 -1.64 -3.26 119.26 119.05 2ksy h ALA 25 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.93 2ksy h ALA 25 Cb 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2ksy h ALA 25 CO -0.02 0.00 -0.71 0.78 0.00 0.00 0.00 179.25 179.29 2ksy h GLY 26 N 4.23 0.34 -1.06 0.00 0.00 -0.09 -2.96 103.07 103.53 2ksy h GLY 26 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2ksy h GLY 26 CO 0.00 0.42 0.00 -0.96 0.00 0.00 0.00 176.54 176.00 2ksy n ARG 27 N -3.81 1.64 -3.33 4.80 1.85 -0.97 -4.36 116.66 112.48 2ksy n ARG 27 Ca -0.03 -0.71 -0.24 0.00 -1.00 0.00 0.00 57.85 55.87 2ksy n ARG 27 Cb 0.70 -1.36 -0.09 0.00 -1.05 0.00 0.00 32.46 30.66 2ksy n ARG 27 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2ksy s ASP 28 N -0.68 1.31 0.00 2.89 2.15 -1.12 -4.97 116.67 116.25 2ksy s ASP 28 Ca 0.13 -2.60 0.00 0.00 0.43 0.00 0.00 52.55 50.51 2ksy s ASP 28 Cb 0.08 -0.04 0.00 0.00 -0.30 0.00 0.00 42.92 42.66 2ksy s ASP 28 CO 0.07 -0.19 0.00 0.00 -0.17 0.00 0.00 175.17 174.88 2ksy n ALA 29 N 3.22 0.00 -3.00 3.66 0.00 -1.26 -4.91 120.51 118.22 2ksy n ALA 29 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2ksy n ALA 29 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.18 2.03 0.13 0.00 0.00 -1.26 -5.05 105.19 99.86 2ksy n GLY 30 Ca 0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 46.02 45.43 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 1.45 0.26 1.61 2.88 -1.26 -4.26 113.62 114.30 2ksy n SER 31 Ca 0.00 0.24 0.09 0.00 -1.33 0.00 0.00 58.87 57.87 2ksy n SER 31 Cb 0.00 -0.66 0.67 0.00 -0.75 0.00 0.00 64.21 63.47 2ksy n SER 31 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2ksy h GLY 32 N -0.72 0.00 2.00 0.46 0.00 -2.03 -1.27 103.07 101.51 2ksy h GLY 32 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2ksy h GLY 32 CO 0.00 0.00 -0.27 0.83 0.00 0.00 0.00 176.54 177.10 2ksy h GLU 33 N 0.00 0.00 -0.60 4.80 5.08 -1.97 -2.97 114.58 118.92 2ksy h GLU 33 Ca -0.00 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.53 2ksy h GLU 33 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2ksy h GLU 33 CO 0.01 0.27 0.48 -0.09 -1.00 0.00 0.00 179.01 178.67 2ksy h ARG 34 N 0.00 0.00 -0.67 2.33 9.65 -1.40 -0.64 114.38 123.65 2ksy h ARG 34 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2ksy h ARG 34 Cb 0.68 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.23 2ksy h ARG 34 CO 0.03 0.00 0.44 0.00 2.80 0.00 0.00 179.97 183.24 2ksy h ARG 35 N 0.00 0.88 0.00 0.20 2.47 -1.68 0.11 114.38 116.36 2ksy h ARG 35 Ca 0.28 -0.06 -0.12 0.00 -1.26 0.00 0.00 59.98 58.83 2ksy h ARG 35 Cb 1.23 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 29.34 2ksy h ARG 35 CO -0.00 0.59 -0.57 1.88 0.56 0.00 0.00 179.97 182.43 2ksy h TYR 36 N 0.91 0.00 0.11 3.04 0.05 -1.33 -2.47 116.97 117.27 2ksy h TYR 36 Ca 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.02 2ksy h TYR 36 Cb -0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.65 2ksy h TYR 36 CO -0.02 0.57 -0.05 1.88 -1.05 0.00 0.00 178.16 179.48 2ksy h TYR 37 N 0.00 -0.13 -0.78 4.88 0.05 -1.21 -2.27 116.97 117.51 2ksy h TYR 37 Ca -0.01 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.86 2ksy h TYR 37 Cb 1.02 0.04 -0.05 0.00 1.01 0.00 0.00 36.73 38.76 2ksy h TYR 37 CO 0.00 0.31 0.51 -0.24 -1.05 0.00 0.00 178.16 177.69 2ksy h VAL 38 N -0.93 0.97 0.08 -2.88 3.04 -0.88 0.28 116.25 115.93 2ksy h VAL 38 Ca -0.01 -0.25 -0.00 0.00 -1.01 0.00 0.00 66.70 65.42 2ksy h VAL 38 Cb 0.51 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 29.95 2ksy h VAL 38 CO 0.02 0.14 -0.04 0.74 -1.01 0.00 0.00 177.57 177.42 2ksy h THR 39 N 0.74 1.11 -0.26 3.17 2.02 -1.52 -0.84 112.91 117.33 2ksy h THR 39 Ca 0.35 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.87 2ksy h THR 39 Cb 0.39 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 2ksy h THR 39 CO -0.13 0.17 0.14 0.25 0.37 0.00 0.00 175.52 176.32 2ksy h LEU 40 N -0.41 0.22 -1.48 2.58 5.85 -0.80 -1.68 115.31 119.60 2ksy h LEU 40 Ca -0.01 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2ksy h LEU 40 Cb 0.35 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2ksy h LEU 40 CO 0.02 0.16 0.27 0.58 -0.34 0.00 0.00 178.44 179.13 2ksy h VAL 41 N 0.29 1.14 -0.81 1.05 2.07 -0.97 -2.05 116.25 116.96 2ksy h VAL 41 Ca 0.10 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2ksy h VAL 41 Cb 0.01 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 2ksy h VAL 41 CO -0.06 0.14 0.48 1.23 0.02 0.00 0.00 177.57 179.38 2ksy h GLY 42 N 0.68 1.19 0.66 2.17 0.00 -0.22 0.83 103.07 108.38 2ksy h GLY 42 Ca 0.17 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 2ksy h GLY 42 CO -0.03 0.48 -0.22 -2.22 0.00 0.00 0.00 176.54 174.55 2ksy h ILE 43 N 1.13 0.39 0.00 2.60 2.04 -0.91 -1.77 117.51 120.99 2ksy h ILE 43 Ca 0.29 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 2ksy h ILE 43 Cb -0.03 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2ksy h ILE 43 CO -0.05 0.07 -0.02 -1.28 0.00 0.00 0.00 178.15 176.87 2ksy h SER 44 N -0.97 0.00 0.13 1.72 0.87 -1.44 -2.15 113.55 111.70 2ksy h SER 44 Ca -0.06 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 2ksy h SER 44 Cb 0.58 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 2ksy h SER 44 CO 0.10 0.02 -0.06 1.23 -0.53 0.00 0.00 176.83 177.59 2ksy h GLY 45 N 0.46 -0.18 1.18 5.77 0.00 -0.70 -2.24 103.07 107.37 2ksy h GLY 45 Ca -0.00 0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.44 2ksy h GLY 45 CO 0.00 -0.07 0.44 0.16 0.00 0.00 0.00 176.54 177.07 2ksy h ILE 46 N -1.02 1.06 -0.50 2.60 3.07 -1.25 -1.36 117.51 120.10 2ksy h ILE 46 Ca -0.02 -0.25 -0.13 0.00 1.55 0.00 0.00 64.86 66.01 2ksy h ILE 46 Cb 0.26 0.25 -0.01 0.00 -0.27 0.00 0.00 36.82 37.05 2ksy h ILE 46 CO 0.03 0.13 -0.19 0.00 -1.05 0.00 0.00 178.15 177.07 2ksy h ALA 47 N 1.63 0.71 -0.47 0.16 0.00 -1.51 -1.81 119.26 117.97 2ksy h ALA 47 Ca 0.27 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 54.87 2ksy h ALA 47 Cb 0.16 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 2ksy h ALA 47 CO -0.08 0.68 0.12 0.00 0.00 0.00 0.00 179.25 179.97 2ksy h ALA 48 N 0.89 0.54 -0.10 0.00 0.00 -0.61 -0.68 119.26 119.30 2ksy h ALA 48 Ca 0.12 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 2ksy h ALA 48 Cb 0.77 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2ksy h ALA 48 CO 0.06 -0.28 -0.62 -0.39 0.00 0.00 0.00 179.25 178.03 2ksy h VAL 49 N 0.27 1.37 -0.85 0.00 -1.51 -1.44 -2.43 116.25 111.65 2ksy h VAL 49 Ca 0.23 -1.97 0.01 0.00 -1.23 0.00 0.00 66.70 63.74 2ksy h VAL 49 Cb 0.28 1.97 -0.04 0.00 -2.13 0.00 0.00 31.29 31.36 2ksy h VAL 49 CO -0.28 0.59 0.56 0.00 -1.23 0.00 0.00 177.57 177.22 2ksy h ALA 50 N 1.08 1.08 -0.03 5.19 0.00 -0.43 -0.21 119.26 125.96 2ksy h ALA 50 Ca -0.01 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2ksy h ALA 50 Cb 1.14 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2ksy h ALA 50 CO 0.10 0.50 -0.68 1.88 0.00 0.00 0.00 179.25 181.05 2ksy h TYR 51 N 1.16 0.16 -0.41 0.00 0.05 -1.10 -0.74 116.97 116.10 2ksy h TYR 51 Ca 0.31 -0.07 -0.07 0.00 0.05 0.00 0.00 58.73 58.95 2ksy h TYR 51 Cb -0.13 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 2ksy h TYR 51 CO -0.01 0.76 -0.00 0.00 -1.05 0.00 0.00 178.16 177.85 2ksy h ALA 52 N 1.22 0.55 -0.04 3.88 0.00 -0.86 0.93 119.26 124.95 2ksy h ALA 52 Ca -0.01 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.40 2ksy h ALA 52 Cb 1.20 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.85 2ksy h ALA 52 CO 0.10 0.34 -0.92 -0.39 0.00 0.00 0.00 179.25 178.38 2ksy h VAL 53 N 0.56 1.34 -0.24 0.00 -1.51 -1.02 -3.12 116.25 112.25 2ksy h VAL 53 Ca 0.12 -2.26 -0.09 0.00 -1.23 0.00 0.00 66.70 63.23 2ksy h VAL 53 Cb 0.49 2.29 -0.01 0.00 -2.13 0.00 0.00 31.29 31.92 2ksy h VAL 53 CO 0.02 0.69 -0.25 0.24 -1.23 0.00 0.00 177.57 177.04 2ksy h MET 54 N 0.34 0.46 0.00 5.19 2.07 -1.09 -1.72 114.93 120.20 2ksy h MET 54 Ca -0.08 -0.17 0.00 0.00 -2.07 0.00 0.00 59.70 57.37 2ksy h MET 54 Cb 1.55 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 31.25 2ksy h MET 54 CO 0.17 0.68 0.00 0.00 1.07 0.00 0.00 176.91 178.83 2ksy h ALA 55 N 1.33 1.00 -0.01 6.32 0.00 -0.78 -1.49 119.26 125.62 2ksy h ALA 55 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ksy h ALA 55 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2ksy h ALA 55 CO 0.05 0.00 -0.28 1.28 0.00 0.00 0.00 179.25 180.30 2ksy n LEU 56 N -2.97 1.68 0.00 0.00 4.77 -0.80 -4.72 117.00 114.96 2ksy n LEU 56 Ca -0.01 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 2ksy n LEU 56 Cb 0.21 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2ksy n LEU 56 CO 0.23 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2ksy n GLY 57 N 1.35 0.67 3.81 -0.72 0.00 -0.56 -5.04 105.19 104.70 2ksy n GLY 57 Ca 0.12 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 2ksy n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ksy s VAL 58 N -2.00 4.60 0.00 1.61 1.01 -0.71 -3.75 120.40 121.16 2ksy s VAL 58 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.29 2ksy s VAL 58 Cb 0.00 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.46 2ksy s VAL 58 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.08 2ksy n GLY 59 N 1.19 1.65 3.56 4.51 0.00 -1.26 -4.49 105.19 110.35 2ksy n GLY 59 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.52 1.75 -0.21 1.61 0.52 -1.25 -2.47 118.94 115.38 2ksy s TRP 60 Ca 0.00 0.70 -0.07 0.00 0.02 0.00 0.00 56.10 56.75 2ksy s TRP 60 Cb 0.00 -4.15 -0.03 0.00 -1.15 0.00 0.00 33.47 28.14 2ksy s TRP 60 CO 0.00 -2.32 0.05 0.54 0.02 0.00 0.00 176.95 175.24 2ksy s VAL 61 N 8.51 4.46 0.49 4.03 0.11 -0.57 -5.00 120.40 132.42 2ksy s VAL 61 Ca 0.65 -0.14 -0.21 0.00 -2.93 0.00 0.00 61.98 59.35 2ksy s VAL 61 Cb -0.13 -3.04 -0.07 0.00 -1.53 0.00 0.00 36.38 31.61 2ksy s VAL 61 CO 0.22 0.41 1.11 -2.84 -3.33 0.00 0.00 175.10 170.66 2ksy s PRO 62 N 0.94 3.68 -0.34 1.54 0.02 -1.26 -1.66 135.00 137.92 2ksy s PRO 62 Ca 0.03 1.60 -0.00 0.00 0.02 0.00 0.00 61.00 62.65 2ksy s PRO 62 Cb -0.14 -2.22 0.14 0.00 0.02 0.00 0.00 34.50 32.29 2ksy s PRO 62 CO 0.03 -0.58 0.24 0.08 -0.33 0.00 0.00 177.00 176.44 2ksy s VAL 63 N -1.73 -0.04 0.00 3.83 1.01 0.13 -4.86 120.40 118.75 2ksy s VAL 63 Ca 0.67 -1.31 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2ksy s VAL 63 Cb -0.24 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.16 2ksy s VAL 63 CO 0.28 -0.82 0.00 0.00 0.00 0.00 0.00 175.10 174.56 2ksy n ALA 64 N 4.38 0.00 0.00 5.51 0.00 -1.26 -0.59 120.51 128.54 2ksy n ALA 64 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 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 -1.91 0.00 0.00 0.00 177.50 175.59 2ksy n GLU 65 N 0.00 1.92 -4.02 0.00 4.07 -1.26 -5.05 120.64 116.30 2ksy n GLU 65 Ca 0.00 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.82 2ksy n GLU 65 Cb 0.00 -0.97 -0.05 0.00 -0.06 0.00 0.00 31.44 30.36 2ksy n GLU 65 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2ksy s ARG 66 N -1.92 3.09 -0.14 5.31 0.52 0.24 -5.11 118.95 120.94 2ksy s ARG 66 Ca 0.00 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.51 2ksy s ARG 66 Cb 0.00 -2.79 -0.01 0.00 0.52 0.00 0.00 34.95 32.67 2ksy s ARG 66 CO 0.00 0.53 -0.15 0.99 0.02 0.00 0.00 175.30 176.69 2ksy s THR 67 N -1.62 2.72 0.01 0.02 2.01 -1.26 0.21 115.64 117.74 2ksy s THR 67 Ca 0.32 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.56 2ksy s THR 67 Cb -0.11 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 2ksy s THR 67 CO 0.25 0.52 0.08 -0.69 -0.69 0.00 0.00 174.62 174.09 2ksy s VAL 68 N 0.61 4.67 -0.32 3.82 1.01 -0.66 -4.96 120.40 124.57 2ksy s VAL 68 Ca -0.09 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 2ksy s VAL 68 Cb -0.16 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 33.10 2ksy s VAL 68 CO 0.03 0.31 0.08 -0.36 0.00 0.00 0.00 175.10 175.16 2ksy s PHE 69 N -1.23 3.21 0.17 5.22 0.08 -1.26 -1.51 117.98 122.67 2ksy s PHE 69 Ca 0.24 -1.32 -0.10 0.00 0.12 0.00 0.00 56.93 55.87 2ksy s PHE 69 Cb -0.12 -2.25 0.06 0.00 -0.57 0.00 0.00 43.02 40.14 2ksy s PHE 69 CO 0.15 -0.69 1.63 -0.24 -0.10 0.00 0.00 175.22 175.98 2ksy h VAL 70 N 6.09 1.27 0.00 -0.44 3.04 -1.82 -3.00 116.25 121.39 2ksy h VAL 70 Ca -0.26 -1.14 -0.02 0.00 -1.01 0.00 0.00 66.70 64.26 2ksy h VAL 70 Cb 1.10 0.83 -0.00 0.00 -2.01 0.00 0.00 31.29 31.20 2ksy h VAL 70 CO 0.60 0.41 -0.11 1.55 -1.01 0.00 0.00 177.57 179.01 2ksy h PRO 71 N 0.94 0.00 0.10 4.17 0.13 -1.83 0.18 132.00 135.68 2ksy h PRO 71 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 2ksy h PRO 71 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 2ksy h PRO 71 CO 0.03 0.11 -0.05 -0.09 -0.23 0.00 0.00 178.00 177.77 2ksy h ARG 72 N 0.00 -0.13 -0.26 0.86 2.43 -1.89 0.20 114.38 115.58 2ksy h ARG 72 Ca -0.00 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2ksy h ARG 72 Cb 0.25 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2ksy h ARG 72 CO 0.01 0.38 -0.20 1.88 -1.51 0.00 0.00 179.97 180.53 2ksy h TYR 73 N -0.80 0.52 -0.15 2.20 0.05 -1.41 -2.64 116.97 114.74 2ksy h TYR 73 Ca -0.01 -0.10 -0.20 0.00 0.05 0.00 0.00 58.73 58.47 2ksy h TYR 73 Cb 0.57 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.18 2ksy h TYR 73 CO 0.11 0.64 -0.70 0.97 -1.05 0.00 0.00 178.16 178.14 2ksy h ILE 74 N 0.43 1.32 -0.83 -2.88 -0.00 -0.71 -2.68 117.51 112.15 2ksy h ILE 74 Ca 0.07 -1.97 0.05 0.00 -0.00 0.00 0.00 64.86 63.01 2ksy h ILE 74 Cb 0.59 1.95 -0.05 0.00 -0.00 0.00 0.00 36.82 39.30 2ksy h ILE 74 CO 0.04 0.61 0.54 -0.78 -0.00 0.00 0.00 178.15 178.57 2ksy h ASP 75 N 0.45 0.84 -0.36 2.19 3.58 -0.66 -1.58 116.42 120.88 2ksy h ASP 75 Ca -0.03 -0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.31 2ksy h ASP 75 Cb 1.29 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.15 2ksy h ASP 75 CO 0.14 0.56 -0.21 -0.50 -2.88 0.00 0.00 179.24 176.34 2ksy h TRP 76 N 0.96 0.90 -0.11 0.28 6.55 -1.37 0.12 115.95 123.29 2ksy h TRP 76 Ca 0.35 -0.24 0.03 0.00 0.95 0.00 0.00 58.89 59.98 2ksy h TRP 76 Cb 0.14 -0.20 -0.00 0.00 -0.86 0.00 0.00 29.16 28.24 2ksy h TRP 76 CO -0.00 0.98 0.09 0.82 -1.05 0.00 0.00 178.44 179.28 2ksy h ILE 77 N 0.57 0.81 0.09 1.49 2.04 -0.97 0.15 117.51 121.69 2ksy h ILE 77 Ca 0.08 0.00 -0.36 0.00 1.00 0.00 0.00 64.86 65.57 2ksy h ILE 77 Cb 0.77 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 2ksy h ILE 77 CO 0.06 0.00 -2.06 0.18 0.00 0.00 0.00 178.15 176.33 2ksy n LEU 78 N -4.31 2.48 -0.07 1.44 4.77 -0.80 -4.43 117.00 116.08 2ksy n LEU 78 Ca -0.00 0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 56.02 2ksy n LEU 78 Cb 0.20 -0.94 -0.10 0.00 -2.33 0.00 0.00 43.42 40.26 2ksy n LEU 78 CO 0.33 0.82 0.06 0.71 -1.33 0.00 0.00 177.39 177.98 2ksy h THR 79 N 0.05 1.16 -0.42 -5.08 1.35 -0.48 -3.34 112.91 106.15 2ksy h THR 79 Ca -0.44 -1.98 0.08 0.00 -0.55 0.00 0.00 66.41 63.52 2ksy h THR 79 Cb 2.02 2.30 -0.09 0.00 -1.73 0.00 0.00 68.15 70.64 2ksy h THR 79 CO 0.06 0.39 -0.32 0.74 -0.25 0.00 0.00 175.52 176.14 2ksy h THR 80 N -1.00 0.23 0.00 6.82 2.02 -0.91 0.25 112.91 120.32 2ksy h THR 80 Ca -0.08 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 2ksy h THR 80 Cb 0.86 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2ksy h THR 80 CO -0.05 0.00 -0.00 1.55 0.37 0.00 0.00 175.52 177.39 2ksy h PRO 81 N -0.24 0.00 0.02 6.66 0.13 -1.77 0.23 132.00 137.04 2ksy h PRO 81 Ca 0.18 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.10 2ksy h PRO 81 Cb 0.54 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 2ksy h PRO 81 CO -0.55 0.00 -0.94 1.25 -0.23 0.00 0.00 178.00 177.52 2ksy h LEU 82 N 0.00 0.27 0.19 1.56 5.85 -0.67 -1.94 115.31 120.57 2ksy h LEU 82 Ca -0.00 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 2ksy h LEU 82 Cb 0.01 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 40.96 2ksy h LEU 82 CO 0.00 1.07 -0.09 0.40 -0.34 0.00 0.00 178.44 179.48 2ksy h ILE 83 N 0.10 0.90 0.00 4.05 1.08 -0.05 -1.11 117.51 122.48 2ksy h ILE 83 Ca -0.06 -0.76 -0.01 0.00 -0.39 0.00 0.00 64.86 63.65 2ksy h ILE 83 Cb 1.60 1.34 -0.00 0.00 -3.07 0.00 0.00 36.82 36.69 2ksy h ILE 83 CO 0.14 0.17 -0.04 -0.37 -0.69 0.00 0.00 178.15 177.36 2ksy h VAL 84 N -0.66 1.02 -0.13 1.67 -1.51 -1.55 0.42 116.25 115.52 2ksy h VAL 84 Ca -0.03 -0.15 -0.10 0.00 -1.23 0.00 0.00 66.70 65.19 2ksy h VAL 84 Cb 0.47 1.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.70 2ksy h VAL 84 CO 0.04 0.04 -0.38 0.22 -1.23 0.00 0.00 177.57 176.27 2ksy h TYR 85 N 0.00 0.32 0.11 5.19 3.20 -1.15 -1.99 116.97 122.65 2ksy h TYR 85 Ca -0.00 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 2ksy h TYR 85 Cb 0.08 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.27 2ksy h TYR 85 CO 0.00 0.62 -0.05 0.35 -1.64 0.00 0.00 178.16 177.44 2ksy h PHE 86 N 0.24 -0.14 0.00 -3.82 3.04 0.40 -1.58 116.94 115.09 2ksy h PHE 86 Ca 0.03 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 2ksy h PHE 86 Cb 0.78 0.04 -0.00 0.00 2.56 0.00 0.00 35.95 39.33 2ksy h PHE 86 CO 0.02 0.02 -0.08 -0.07 -2.02 0.00 0.00 178.31 176.18 2ksy h LEU 87 N -0.26 0.00 -1.11 0.59 4.07 -1.39 -0.94 115.31 116.26 2ksy h LEU 87 Ca -0.01 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.86 2ksy h LEU 87 Cb 0.22 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 2ksy h LEU 87 CO 0.02 0.08 -0.39 1.23 -1.08 0.00 0.00 178.44 178.30 2ksy h GLY 88 N 0.24 0.00 0.78 0.83 0.00 -0.77 -2.62 103.07 101.53 2ksy h GLY 88 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 2ksy h GLY 88 CO 0.01 0.00 -0.47 1.41 0.00 0.00 0.00 176.54 177.49 2ksy h LEU 89 N 0.00 0.51 -1.81 3.11 3.38 -0.21 0.44 115.31 120.73 2ksy h LEU 89 Ca -0.00 -0.69 -0.03 0.00 0.09 0.00 0.00 57.88 57.25 2ksy h LEU 89 Cb 0.80 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 2ksy h LEU 89 CO 0.05 1.12 -0.14 -0.07 0.09 0.00 0.00 178.44 179.50 2ksy h LEU 90 N -0.06 0.00 0.15 1.67 3.38 -1.41 -2.94 115.31 116.11 2ksy h LEU 90 Ca -0.04 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.57 2ksy h LEU 90 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2ksy h LEU 90 CO 0.10 0.14 -1.90 0.00 0.09 0.00 0.00 178.44 176.86 2ksy h ALA 91 N 1.86 0.33 -1.74 1.53 0.00 -1.46 -3.44 119.26 116.35 2ksy h ALA 91 Ca -0.00 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.61 2ksy h ALA 91 Cb 0.27 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2ksy h ALA 91 CO 0.02 1.21 0.00 0.41 0.00 0.00 0.00 179.25 180.89 2ksy n GLY 92 N 1.94 0.89 2.26 0.00 0.00 0.12 -4.28 105.19 106.12 2ksy n GLY 92 Ca -0.29 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 2ksy n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ksy n LEU 93 N -0.87 0.00 -4.85 0.99 4.77 -1.06 -5.07 117.00 110.91 2ksy n LEU 93 Ca 0.00 -0.81 -0.23 0.00 -0.03 0.00 0.00 56.01 54.94 2ksy n LEU 93 Cb 0.30 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 2ksy n LEU 93 CO 0.00 -1.34 -0.02 -1.81 -1.33 0.00 0.00 177.39 172.89 2ksy s ASP 94 N -3.69 4.81 0.37 -1.43 1.11 -1.26 -4.94 116.67 111.63 2ksy s ASP 94 Ca 0.45 -0.94 0.09 0.00 0.18 0.00 0.00 52.55 52.34 2ksy s ASP 94 Cb -0.02 -0.33 0.84 0.00 1.07 0.00 0.00 42.92 44.48 2ksy s ASP 94 CO 0.33 -0.73 1.90 0.28 1.18 0.00 0.00 175.17 178.13 2ksy h SER 95 N 1.05 0.61 0.10 0.27 0.02 -2.00 -0.99 113.55 112.61 2ksy h SER 95 Ca -0.41 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2ksy h SER 95 Cb 1.27 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2ksy h SER 95 CO 0.60 0.34 -0.05 -0.09 -1.14 0.00 0.00 176.83 176.49 2ksy h ARG 96 N 0.66 -0.12 -0.46 3.45 2.43 -1.99 -2.96 114.38 115.39 2ksy h ARG 96 Ca 0.40 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.66 2ksy h ARG 96 Cb 0.62 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.12 2ksy h ARG 96 CO -0.16 0.40 0.04 0.93 -1.51 0.00 0.00 179.97 179.66 2ksy h GLU 97 N -0.79 0.15 -0.04 0.20 5.08 -1.86 -1.71 114.58 115.61 2ksy h GLU 97 Ca -0.01 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2ksy h GLU 97 Cb 0.58 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 2ksy h GLU 97 CO 0.02 0.10 -0.15 0.74 -1.00 0.00 0.00 179.01 178.72 2ksy h PHE 98 N 0.15 -0.38 -0.19 4.33 0.04 -1.29 -1.50 116.94 118.10 2ksy h PHE 98 Ca 0.23 0.02 0.05 0.00 2.80 0.00 0.00 57.97 61.07 2ksy h PHE 98 Cb 0.32 0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 2ksy h PHE 98 CO -0.26 -0.22 0.16 0.78 -0.60 0.00 0.00 178.31 178.17 2ksy h GLY 99 N -0.23 0.00 0.95 -1.45 0.00 -1.25 -1.38 103.07 99.72 2ksy h GLY 99 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.24 2ksy h GLY 99 CO -0.17 0.00 -0.50 -2.22 0.00 0.00 0.00 176.54 173.65 2ksy h ILE 100 N 0.00 1.33 -0.06 2.60 2.04 -0.41 -2.46 117.51 120.56 2ksy h ILE 100 Ca 0.09 -1.76 -0.02 0.00 1.00 0.00 0.00 64.86 64.17 2ksy h ILE 100 Cb 0.41 2.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 2ksy h ILE 100 CO -0.00 0.54 -0.05 0.58 0.00 0.00 0.00 178.15 179.22 2ksy h VAL 101 N 0.28 1.36 -0.12 1.67 2.07 -0.71 -2.64 116.25 118.16 2ksy h VAL 101 Ca -0.02 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.35 2ksy h VAL 101 Cb 1.12 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 2ksy h VAL 101 CO 0.11 0.32 0.07 0.40 0.02 0.00 0.00 177.57 178.48 2ksy h ILE 102 N -0.29 1.02 -0.86 4.57 1.08 -1.38 -2.44 117.51 119.19 2ksy h ILE 102 Ca 0.01 -0.05 0.04 0.00 -0.39 0.00 0.00 64.86 64.47 2ksy h ILE 102 Cb 0.53 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 35.09 2ksy h ILE 102 CO 0.01 0.03 0.57 0.00 -0.69 0.00 0.00 178.15 178.07 2ksy h THR 103 N 0.14 1.14 -0.68 -0.27 1.03 -1.51 -1.69 112.91 111.07 2ksy h THR 103 Ca 0.04 -0.37 0.02 0.00 -0.01 0.00 0.00 66.41 66.10 2ksy h THR 103 Cb -0.01 -0.02 -0.04 0.00 -1.07 0.00 0.00 68.15 67.01 2ksy h THR 103 CO -0.02 0.20 0.43 0.25 -0.01 0.00 0.00 175.52 176.37 2ksy h LEU 104 N 1.07 0.72 -1.58 0.00 5.85 -1.08 -1.09 115.31 119.21 2ksy h LEU 104 Ca 0.34 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 59.01 2ksy h LEU 104 Cb 0.03 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 2ksy h LEU 104 CO -0.10 0.50 -0.23 0.78 -0.34 0.00 0.00 178.44 179.05 2ksy h ASN 105 N 0.85 0.00 0.61 1.25 -0.26 -0.88 -2.69 115.58 114.47 2ksy h ASN 105 Ca 0.27 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.98 2ksy h ASN 105 Cb -0.01 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.25 2ksy h ASN 105 CO -0.09 0.23 -0.30 0.74 -1.06 0.00 0.00 177.43 176.95 2ksy h THR 106 N 0.00 0.31 -0.71 2.81 2.02 -0.53 -2.17 112.91 114.64 2ksy h THR 106 Ca -0.00 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 66.99 2ksy h THR 106 Cb 0.47 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 2ksy h THR 106 CO 0.03 0.03 0.47 1.62 0.37 0.00 0.00 175.52 178.04 2ksy h VAL 107 N -1.00 1.05 -0.51 3.16 3.04 -1.43 -0.34 116.25 120.21 2ksy h VAL 107 Ca -0.08 -0.27 0.03 0.00 -1.01 0.00 0.00 66.70 65.37 2ksy h VAL 107 Cb 0.68 0.20 -0.04 0.00 -2.01 0.00 0.00 31.29 30.12 2ksy h VAL 107 CO 0.14 0.14 0.29 0.58 -1.01 0.00 0.00 177.57 177.71 2ksy h VAL 108 N 0.78 1.03 -0.05 1.51 2.07 -1.35 -1.11 116.25 119.14 2ksy h VAL 108 Ca 0.30 -0.20 -0.14 0.00 0.82 0.00 0.00 66.70 67.48 2ksy h VAL 108 Cb 0.19 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2ksy h VAL 108 CO -0.10 0.11 -0.60 0.24 0.02 0.00 0.00 177.57 177.24 2ksy h MET 109 N 0.58 0.16 -0.35 1.57 2.86 -0.67 -2.71 114.93 116.37 2ksy h MET 109 Ca 0.21 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 2ksy h MET 109 Cb 0.05 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 2ksy h MET 109 CO -0.11 0.71 0.09 1.25 1.06 0.00 0.00 176.91 179.91 2ksy h LEU 110 N 0.12 0.46 0.23 1.22 6.46 -0.38 0.15 115.31 123.58 2ksy h LEU 110 Ca -0.01 -0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 2ksy h LEU 110 Cb 1.09 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.90 2ksy h LEU 110 CO 0.09 0.47 -0.11 0.00 -0.62 0.00 0.00 178.44 178.27 2ksy h ALA 111 N 1.60 -0.31 -0.76 1.25 0.00 -0.92 -2.73 119.26 117.39 2ksy h ALA 111 Ca 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2ksy h ALA 111 Cb 0.19 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2ksy h ALA 111 CO -0.00 -0.48 0.35 0.78 0.00 0.00 0.00 179.25 179.90 2ksy h GLY 112 N -0.70 1.18 0.11 0.00 0.00 -1.32 0.18 103.07 102.52 2ksy h GLY 112 Ca -0.03 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 2ksy h GLY 112 CO 0.05 0.56 -0.16 -2.75 0.00 0.00 0.00 176.54 174.24 2ksy h PHE 113 N 1.09 -0.45 0.00 5.60 3.04 -0.71 -1.47 116.94 124.03 2ksy h PHE 113 Ca 0.26 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.22 2ksy h PHE 113 Cb 0.13 0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.82 2ksy h PHE 113 CO 0.01 -0.20 0.00 0.00 -2.02 0.00 0.00 178.31 176.10 2ksy h ALA 114 N -1.40 1.00 -0.22 2.41 0.00 -1.48 -2.86 119.26 116.71 2ksy h ALA 114 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2ksy h ALA 114 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2ksy h ALA 114 CO -0.04 0.00 0.09 0.78 0.00 0.00 0.00 179.25 180.07 2ksy h GLY 115 N 1.10 0.28 2.00 0.00 0.00 0.42 -1.98 103.07 104.89 2ksy h GLY 115 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2ksy h GLY 115 CO 0.00 0.04 0.00 0.00 0.00 0.00 0.00 176.54 176.58 2ksy h ALA 116 N 1.13 1.00 -0.17 3.60 0.00 -1.22 -3.16 119.26 120.44 2ksy h ALA 116 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ksy h ALA 116 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2ksy h ALA 116 CO -0.08 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.84 2ksy n MET 117 N -2.70 1.64 -2.82 0.00 2.00 -0.76 -4.83 117.12 109.65 2ksy n MET 117 Ca 0.04 -0.71 -0.40 0.00 0.00 0.00 0.00 57.70 56.63 2ksy n MET 117 Cb 0.45 -1.36 -0.06 0.00 0.00 0.00 0.00 33.22 32.25 2ksy n MET 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2ksy s VAL 118 N -1.63 4.24 -2.19 2.03 -7.23 -1.12 -4.96 120.40 109.55 2ksy s VAL 118 Ca 0.13 1.96 0.26 0.00 -1.81 0.00 0.00 61.98 62.52 2ksy s VAL 118 Cb 0.08 -4.26 0.33 0.00 0.56 0.00 0.00 36.38 33.09 2ksy s VAL 118 CO 0.07 0.48 1.55 -0.81 -0.31 0.00 0.00 175.10 176.07 2ksy n PRO 119 N 1.76 1.34 0.00 4.82 -0.04 -1.26 -4.91 135.00 136.70 2ksy n PRO 119 Ca -0.02 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.57 2ksy n PRO 119 Cb 0.48 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 1.29 3.11 0.12 0.55 0.00 -1.26 -5.04 105.19 103.95 2ksy n GLY 120 Ca 0.15 -0.42 0.03 0.00 0.00 0.00 0.00 46.02 45.78 2ksy n GLY 120 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ksy n ILE 121 N 0.00 0.95 0.29 -0.61 -6.64 -1.26 -4.74 119.36 107.35 2ksy n ILE 121 Ca 0.00 -1.08 0.19 0.00 -1.77 0.00 0.00 62.75 60.09 2ksy n ILE 121 Cb 0.00 0.33 1.00 0.00 -1.44 0.00 0.00 39.64 39.53 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 0.00 0.00 -0.65 6.28 5.08 -1.94 -2.52 114.58 120.84 2ksy h GLU 122 Ca 0.00 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.55 2ksy h GLU 122 Cb 0.92 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 2ksy h GLU 122 CO 0.00 0.00 0.57 0.07 -1.00 0.00 0.00 179.01 178.65 2ksy h ARG 123 N 0.00 0.00 -0.02 2.33 0.11 -1.85 0.18 114.38 115.13 2ksy h ARG 123 Ca 0.00 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.89 2ksy h ARG 123 Cb 0.06 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.13 2ksy h ARG 123 CO 0.00 0.00 -0.83 1.88 0.10 0.00 0.00 179.97 181.12 2ksy h TYR 124 N 0.00 0.36 0.20 4.08 0.05 -1.80 -2.54 116.97 117.31 2ksy h TYR 124 Ca 0.31 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.90 2ksy h TYR 124 Cb 1.45 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 39.14 2ksy h TYR 124 CO 0.00 0.97 -0.10 0.00 -1.05 0.00 0.00 178.16 177.98 2ksy h ALA 125 N 0.98 -0.27 -0.24 3.88 0.00 -0.86 -0.37 119.26 122.38 2ksy h ALA 125 Ca -0.04 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.75 2ksy h ALA 125 Cb 1.43 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.27 2ksy h ALA 125 CO 0.13 -0.30 -0.13 -0.07 0.00 0.00 0.00 179.25 178.88 2ksy h LEU 126 N -0.97 -0.45 -1.46 0.00 3.38 -1.54 0.57 115.31 114.84 2ksy h LEU 126 Ca -0.03 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2ksy h LEU 126 Cb 0.44 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2ksy h LEU 126 CO 0.04 -0.17 -0.26 0.15 0.09 0.00 0.00 178.44 178.29 2ksy h PHE 127 N -0.11 0.01 -0.58 1.13 3.57 -1.57 -2.38 116.94 117.01 2ksy h PHE 127 Ca 0.13 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.75 2ksy h PHE 127 Cb 0.31 -0.00 -0.11 0.00 2.79 0.00 0.00 35.95 38.94 2ksy h PHE 127 CO -0.31 0.27 -0.09 0.78 -2.23 0.00 0.00 178.31 176.74 2ksy h GLY 128 N 0.80 0.50 2.00 2.40 0.00 0.92 0.71 103.07 110.40 2ksy h GLY 128 Ca -0.00 0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.38 2ksy h GLY 128 CO 0.03 -0.21 -0.46 0.00 0.00 0.00 0.00 176.54 175.91 2ksy h MET 129 N 0.04 0.00 -0.85 4.80 -0.00 -1.21 -2.88 114.93 114.83 2ksy h MET 129 Ca 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.99 2ksy h MET 129 Cb 0.45 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.01 2ksy h MET 129 CO -0.56 0.46 0.52 0.78 -0.00 0.00 0.00 176.91 178.11 2ksy h GLY 130 N 1.88 1.22 0.48 -3.00 0.00 0.78 0.23 103.07 104.67 2ksy h GLY 130 Ca -0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 2ksy h GLY 130 CO 0.06 0.48 -0.06 0.00 0.00 0.00 0.00 176.54 177.02 2ksy h ALA 131 N 1.28 0.04 -0.49 3.60 0.00 -0.61 -0.15 119.26 122.93 2ksy h ALA 131 Ca 0.31 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2ksy h ALA 131 Cb -0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2ksy h ALA 131 CO -0.06 -0.11 0.19 0.28 0.00 0.00 0.00 179.25 179.55 2ksy h VAL 132 N -0.47 0.86 -0.71 0.00 2.07 -1.39 -0.72 116.25 115.88 2ksy h VAL 132 Ca -0.00 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 2ksy h VAL 132 Cb 0.66 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2ksy h VAL 132 CO 0.01 0.07 0.33 0.00 0.02 0.00 0.00 177.57 178.00 2ksy h ALA 133 N 1.32 1.24 0.06 1.67 0.00 -0.55 -2.60 119.26 120.41 2ksy h ALA 133 Ca 0.23 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2ksy h ALA 133 Cb 0.23 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2ksy h ALA 133 CO -0.22 0.58 -0.21 0.35 0.00 0.00 0.00 179.25 179.74 2ksy h PHE 134 N 1.01 -0.56 -0.53 0.00 3.57 0.43 -0.60 116.94 120.25 2ksy h PHE 134 Ca 0.24 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.87 2ksy h PHE 134 Cb 0.12 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 2ksy h PHE 134 CO 0.01 -0.30 0.36 0.82 -2.23 0.00 0.00 178.31 176.97 2ksy h ILE 135 N -0.37 0.84 -0.63 1.41 2.04 -1.08 0.13 117.51 119.85 2ksy h ILE 135 Ca 0.04 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 2ksy h ILE 135 Cb 0.42 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2ksy h ILE 135 CO -0.15 0.04 0.29 1.23 0.00 0.00 0.00 178.15 179.56 2ksy h GLY 136 N 0.23 0.98 0.69 5.37 0.00 -0.75 -0.53 103.07 109.05 2ksy h GLY 136 Ca 0.25 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 2ksy h GLY 136 CO -0.05 0.47 -0.15 -2.00 0.00 0.00 0.00 176.54 174.81 2ksy h LEU 137 N 0.87 -0.35 -1.85 3.11 5.85 -0.30 -2.68 115.31 119.95 2ksy h LEU 137 Ca 0.21 -0.16 0.14 0.00 0.84 0.00 0.00 57.88 58.91 2ksy h LEU 137 Cb 0.13 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2ksy h LEU 137 CO -0.03 -0.01 0.40 -0.37 -0.34 0.00 0.00 178.44 178.10 2ksy h VAL 138 N -0.73 0.78 -0.66 1.05 -1.51 -1.27 0.25 116.25 114.16 2ksy h VAL 138 Ca -0.04 -0.06 -0.01 0.00 -1.23 0.00 0.00 66.70 65.36 2ksy h VAL 138 Cb 0.49 0.61 -0.03 0.00 -2.13 0.00 0.00 31.29 30.23 2ksy h VAL 138 CO 0.07 0.03 0.37 0.22 -1.23 0.00 0.00 177.57 177.03 2ksy h TYR 139 N 0.16 0.90 -0.24 5.19 3.20 -0.87 -2.52 116.97 122.79 2ksy h TYR 139 Ca 0.27 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.08 2ksy h TYR 139 Cb 0.87 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 2ksy h TYR 139 CO -0.00 0.63 -0.03 1.88 -1.64 0.00 0.00 178.16 179.00 2ksy h TYR 140 N 0.90 0.50 -0.94 -3.82 0.05 -0.22 0.56 116.97 114.00 2ksy h TYR 140 Ca 0.23 -0.10 0.18 0.00 0.05 0.00 0.00 58.73 59.09 2ksy h TYR 140 Cb 0.02 -0.13 -0.08 0.00 1.01 0.00 0.00 36.73 37.55 2ksy h TYR 140 CO -0.01 0.66 0.60 -0.07 -1.05 0.00 0.00 178.16 178.29 2ksy h LEU 141 N 0.21 0.62 -0.81 3.88 4.07 -1.04 -0.87 115.31 121.37 2ksy h LEU 141 Ca 0.06 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2ksy h LEU 141 Cb 0.48 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.16 2ksy h LEU 141 CO 0.02 0.26 -0.41 0.55 -1.08 0.00 0.00 178.44 177.78 2ksy n VAL 142 N -4.61 0.00 0.00 1.22 3.14 -0.97 -4.39 118.33 112.72 2ksy n VAL 142 Ca 0.20 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 2ksy n VAL 142 Cb 0.58 1.18 0.00 0.00 -1.06 0.00 0.00 33.84 34.54 2ksy n VAL 142 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ksy n GLY 143 N 1.22 -0.01 0.34 7.55 0.00 0.19 -4.46 105.19 110.03 2ksy n GLY 143 Ca 0.07 -0.23 0.18 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 0.00 -0.28 1.61 0.13 -1.84 -1.70 132.00 129.93 2ksy h PRO 144 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.21 2ksy h PRO 144 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2ksy h PRO 144 CO 0.00 0.00 0.21 0.52 -0.23 0.00 0.00 178.00 178.50 2ksy h MET 145 N 0.00 0.00 0.04 0.86 2.86 -1.83 -0.04 114.93 116.82 2ksy h MET 145 Ca 0.06 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.47 2ksy h MET 145 Cb 0.50 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 2ksy h MET 145 CO -0.00 0.00 -1.02 1.79 1.06 0.00 0.00 176.91 178.74 2ksy h THR 146 N 0.00 1.46 0.00 2.22 1.35 -1.51 -2.77 112.91 113.67 2ksy h THR 146 Ca 0.13 -2.70 -0.19 0.00 -0.55 0.00 0.00 66.41 63.10 2ksy h THR 146 Cb 0.56 2.60 -0.01 0.00 -1.73 0.00 0.00 68.15 69.57 2ksy h THR 146 CO -0.00 0.79 -0.85 -0.08 -0.25 0.00 0.00 175.52 175.13 2ksy h GLU 147 N 0.15 0.16 -0.08 4.72 4.81 -1.32 -2.40 114.58 120.61 2ksy h GLU 147 Ca -0.09 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 58.93 2ksy h GLU 147 Cb 1.68 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 31.11 2ksy h GLU 147 CO 0.17 0.92 -0.13 1.03 -0.73 0.00 0.00 179.01 180.27 2ksy h SER 148 N 0.09 0.26 0.49 1.04 0.87 -1.10 -3.24 113.55 111.96 2ksy h SER 148 Ca -0.04 -0.53 -0.12 0.00 -1.23 0.00 0.00 61.79 59.87 2ksy h SER 148 Cb 1.48 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.35 2ksy h SER 148 CO 0.13 0.74 -0.54 0.00 -0.53 0.00 0.00 176.83 176.63 2ksy h ALA 149 N 0.52 1.08 0.00 6.23 0.00 -1.57 -2.69 119.26 122.83 2ksy h ALA 149 Ca 0.01 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2ksy h ALA 149 Cb 0.69 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2ksy h ALA 149 CO 0.03 0.67 0.00 -1.13 0.00 0.00 0.00 179.25 178.82 2ksy n SER 150 N -3.91 0.00 0.00 0.00 3.41 -0.90 -1.76 113.62 110.46 2ksy n SER 150 Ca -0.02 -0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 2ksy n SER 150 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 2ksy n SER 150 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ksy n GLN 151 N -1.00 2.55 -0.10 4.33 6.02 -1.01 -4.76 117.38 123.41 2ksy n GLN 151 Ca 0.11 -1.36 -0.17 0.00 -0.01 0.00 0.00 57.00 55.56 2ksy n GLN 151 Cb 0.05 -0.95 -0.08 0.00 1.02 0.00 0.00 30.24 30.28 2ksy n GLN 151 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2ksy n ARG 152 N -0.43 0.53 -3.88 -1.09 5.12 -0.73 -5.06 116.66 111.13 2ksy n ARG 152 Ca 0.00 0.52 -0.08 0.00 -1.93 0.00 0.00 57.85 56.36 2ksy n ARG 152 Cb 0.26 -1.69 -0.02 0.00 -1.16 0.00 0.00 32.46 29.86 2ksy n ARG 152 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2ksy s SER 153 N -6.58 -0.13 0.16 0.55 0.01 -1.25 -5.01 113.70 101.45 2ksy s SER 153 Ca -0.26 -0.81 -0.05 0.00 1.31 0.00 0.00 55.95 56.14 2ksy s SER 153 Cb 0.06 0.73 0.03 0.00 0.21 0.00 0.00 66.02 67.05 2ksy s SER 153 CO 0.47 -1.39 1.44 -1.28 0.41 0.00 0.00 173.24 172.90 2ksy h SER 154 N 2.04 0.69 0.45 2.44 0.87 -1.93 -3.24 113.55 114.88 2ksy h SER 154 Ca -0.23 -0.40 -0.24 0.00 -1.23 0.00 0.00 61.79 59.68 2ksy h SER 154 Cb 1.25 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2ksy h SER 154 CO 0.29 1.15 -1.06 1.23 -0.53 0.00 0.00 176.83 177.91 2ksy h GLY 155 N 0.98 0.39 0.31 5.77 0.00 -1.96 -3.30 103.07 105.26 2ksy h GLY 155 Ca -0.01 -0.79 0.17 0.00 0.00 0.00 0.00 47.33 46.70 2ksy h GLY 155 CO 0.12 0.70 0.61 -2.22 0.00 0.00 0.00 176.54 175.75 2ksy h ILE 156 N 0.16 0.78 -0.67 2.60 1.08 -1.86 0.42 117.51 120.03 2ksy h ILE 156 Ca -0.10 -0.26 -0.07 0.00 -0.39 0.00 0.00 64.86 64.04 2ksy h ILE 156 Cb 1.72 -0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 35.40 2ksy h ILE 156 CO 0.18 0.14 0.15 0.50 -0.69 0.00 0.00 178.15 178.42 2ksy h LYS 157 N 0.76 1.08 -0.22 2.37 1.63 -1.63 -0.93 116.57 119.64 2ksy h LYS 157 Ca 0.52 -0.27 -0.13 0.00 -0.85 0.00 0.00 60.65 59.91 2ksy h LYS 157 Cb 0.80 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 2ksy h LYS 157 CO -0.29 0.98 -0.39 0.77 -3.45 0.00 0.00 179.45 177.07 2ksy h SER 158 N 1.01 0.72 -0.67 4.20 0.02 -1.22 -1.42 113.55 116.20 2ksy h SER 158 Ca 0.21 -0.54 -0.06 0.00 -0.84 0.00 0.00 61.79 60.56 2ksy h SER 158 Cb 0.39 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 2ksy h SER 158 CO 0.01 1.12 0.17 0.25 -1.14 0.00 0.00 176.83 177.24 2ksy h LEU 159 N 0.35 1.00 -0.31 5.07 6.46 -0.91 -2.71 115.31 124.26 2ksy h LEU 159 Ca 0.01 -0.23 -0.20 0.00 -0.12 0.00 0.00 57.88 57.35 2ksy h LEU 159 Cb 0.99 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 2ksy h LEU 159 CO 0.09 0.97 -0.74 0.22 -0.62 0.00 0.00 178.44 178.36 2ksy h TYR 160 N 0.99 0.78 0.04 1.25 5.03 -1.18 -2.34 116.97 121.54 2ksy h TYR 160 Ca 0.21 -0.34 -0.00 0.00 2.58 0.00 0.00 58.73 61.18 2ksy h TYR 160 Cb 0.35 -0.12 -0.00 0.00 1.55 0.00 0.00 36.73 38.50 2ksy h TYR 160 CO 0.03 1.13 -0.03 0.28 -1.32 0.00 0.00 178.16 178.25 2ksy h VAL 161 N 0.40 0.94 -0.20 1.81 2.07 -1.14 -0.32 116.25 119.82 2ksy h VAL 161 Ca -0.04 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.36 2ksy h VAL 161 Cb 1.33 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2ksy h VAL 161 CO 0.14 0.00 -0.42 0.03 0.02 0.00 0.00 177.57 177.34 2ksy h ARG 162 N -0.07 0.46 0.38 1.57 3.08 -1.55 -2.36 114.38 115.89 2ksy h ARG 162 Ca -0.00 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.79 2ksy h ARG 162 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2ksy h ARG 162 CO 0.00 0.80 -0.18 -0.07 -1.07 0.00 0.00 179.97 179.45 2ksy h LEU 163 N 0.38 -0.43 -0.55 3.04 4.07 -1.18 -2.79 115.31 117.85 2ksy h LEU 163 Ca 0.03 -0.12 -0.08 0.00 0.08 0.00 0.00 57.88 57.79 2ksy h LEU 163 Cb 0.89 0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.73 2ksy h LEU 163 CO 0.08 -0.10 0.01 0.08 -1.08 0.00 0.00 178.44 177.43 2ksy h ARG 164 N -0.78 0.96 -0.12 1.13 -0.00 -1.13 -1.70 114.38 112.75 2ksy h ARG 164 Ca -0.05 -0.30 0.04 0.00 -0.00 0.00 0.00 59.98 59.67 2ksy h ARG 164 Cb 0.52 -0.09 -0.05 0.00 -0.00 0.00 0.00 29.97 30.36 2ksy h ARG 164 CO 0.09 0.96 -0.17 -0.91 -0.00 0.00 0.00 179.97 179.93 2ksy h ASN 165 N 0.84 -0.53 0.15 0.08 -0.26 -1.48 0.60 115.58 114.98 2ksy h ASN 165 Ca 0.16 0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.98 2ksy h ASN 165 Cb 0.52 0.25 0.00 0.00 -1.06 0.00 0.00 38.32 38.03 2ksy h ASN 165 CO 0.03 -0.22 -0.07 0.25 -1.06 0.00 0.00 177.43 176.35 2ksy h LEU 166 N -0.22 -0.17 -0.05 1.61 6.46 -1.45 -2.85 115.31 118.63 2ksy h LEU 166 Ca 0.09 -0.20 0.03 0.00 -0.12 0.00 0.00 57.88 57.69 2ksy h LEU 166 Cb 0.36 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.29 2ksy h LEU 166 CO -0.25 0.11 -0.19 0.74 -0.62 0.00 0.00 178.44 178.23 2ksy h THR 167 N -0.45 0.53 -0.56 1.05 2.02 -1.16 -2.69 112.91 111.66 2ksy h THR 167 Ca -0.02 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.24 2ksy h THR 167 Cb 0.35 0.53 -0.07 0.00 -1.74 0.00 0.00 68.15 67.23 2ksy h THR 167 CO 0.03 0.00 0.21 0.58 0.37 0.00 0.00 175.52 176.71 2ksy h VAL 168 N -0.28 0.80 0.30 3.16 2.07 -0.93 0.15 116.25 121.52 2ksy h VAL 168 Ca 0.07 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2ksy h VAL 168 Cb 0.39 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2ksy h VAL 168 CO -0.22 0.07 -0.25 0.58 0.02 0.00 0.00 177.57 177.78 2ksy h VAL 169 N 0.39 0.00 -0.08 2.57 2.07 -1.23 -0.26 116.25 119.70 2ksy h VAL 169 Ca 0.28 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.76 2ksy h VAL 169 Cb 0.32 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 2ksy h VAL 169 CO -0.28 0.00 -0.13 0.17 0.02 0.00 0.00 177.57 177.35 2ksy h LEU 170 N -0.53 0.12 -1.08 2.57 8.10 -1.44 -1.92 115.31 121.14 2ksy h LEU 170 Ca -0.04 -0.02 -0.10 0.00 0.11 0.00 0.00 57.88 57.83 2ksy h LEU 170 Cb 0.45 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.62 2ksy h LEU 170 CO -0.00 0.27 -0.42 -0.50 -4.11 0.00 0.00 178.44 173.68 2ksy h TRP 171 N 0.12 0.10 0.00 0.17 4.06 -0.56 -2.02 115.95 117.82 2ksy h TRP 171 Ca 0.03 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2ksy h TRP 171 Cb 0.32 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.45 2ksy h TRP 171 CO 0.00 0.49 0.00 0.00 -3.56 0.00 0.00 178.44 175.38 2ksy n ALA 172 N -2.46 1.99 0.11 1.49 0.00 -0.12 -2.32 120.51 119.21 2ksy n ALA 172 Ca -0.02 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.41 2ksy n ALA 172 Cb 0.46 -1.32 0.01 0.00 0.00 0.00 0.00 19.45 18.61 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 0.25 -0.30 0.00 1.08 -1.34 -3.37 117.51 113.83 2ksy h ILE 173 Ca 0.00 -1.43 0.06 0.00 -0.39 0.00 0.00 64.86 63.10 2ksy h ILE 173 Cb 0.22 1.86 -0.06 0.00 -3.07 0.00 0.00 36.82 35.78 2ksy h ILE 173 CO 0.00 0.14 -0.06 1.88 -0.69 0.00 0.00 178.15 179.43 2ksy h TYR 174 N 0.00 -0.13 -1.10 1.37 0.05 -1.54 -0.96 116.97 114.66 2ksy h TYR 174 Ca -0.04 0.03 0.32 0.00 0.05 0.00 0.00 58.73 59.08 2ksy h TYR 174 Cb 1.20 0.10 -0.04 0.00 1.01 0.00 0.00 36.73 39.00 2ksy h TYR 174 CO 0.00 -0.11 0.79 -1.35 -1.05 0.00 0.00 178.16 176.44 2ksy h PRO 175 N 0.02 0.00 0.00 4.88 0.11 -1.77 0.00 132.00 135.24 2ksy h PRO 175 Ca 0.15 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 2ksy h PRO 175 Cb 0.22 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 2ksy h PRO 175 CO -0.30 0.00 -0.10 0.74 -0.21 0.00 0.00 178.00 178.14 2ksy h PHE 176 N 0.00 0.00 -0.21 0.65 0.04 -1.44 -3.09 116.94 112.89 2ksy h PHE 176 Ca 0.52 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.26 2ksy h PHE 176 Cb 2.09 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.23 2ksy h PHE 176 CO -0.00 1.04 -0.03 0.82 -0.60 0.00 0.00 178.31 179.54 2ksy h ILE 177 N -1.00 1.15 0.04 -0.55 1.08 -0.58 0.34 117.51 117.99 2ksy h ILE 177 Ca -0.03 -0.61 -0.00 0.00 -0.39 0.00 0.00 64.86 63.83 2ksy h ILE 177 Cb 1.02 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 2ksy h ILE 177 CO -0.02 0.20 -0.02 -0.25 -0.69 0.00 0.00 178.15 177.38 2ksy h TRP 178 N 0.31 -0.05 0.27 1.37 7.01 -1.18 0.02 115.95 123.70 2ksy h TRP 178 Ca 0.07 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 2ksy h TRP 178 Cb 0.26 0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.34 2ksy h TRP 178 CO 0.01 0.51 -0.13 1.25 -2.79 0.00 0.00 178.44 177.29 2ksy h LEU 179 N -0.65 -0.30 -0.50 0.65 6.46 -1.44 -2.76 115.31 116.78 2ksy h LEU 179 Ca -0.01 -0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 57.50 2ksy h LEU 179 Cb 0.58 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 2ksy h LEU 179 CO 0.01 0.13 0.18 -0.07 -0.62 0.00 0.00 178.44 178.07 2ksy h LEU 180 N -0.80 0.70 -9.80 2.25 3.38 -0.47 0.27 115.31 110.83 2ksy h LEU 180 Ca -0.04 -0.18 -0.35 0.00 0.09 0.00 0.00 57.88 57.40 2ksy h LEU 180 Cb 0.51 -0.18 0.20 0.00 0.09 0.00 0.00 40.66 41.28 2ksy h LEU 180 CO 0.06 0.69 -0.19 0.61 0.09 0.00 0.00 178.44 179.71 2ksy n GLY 181 N -0.75 -3.45 0.29 0.83 0.00 -0.01 0.02 105.19 102.13 2ksy n GLY 181 Ca 0.02 -1.48 0.09 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.37 0.25 -0.90 1.61 0.11 -1.82 -1.07 132.00 126.80 2ksy h PRO 182 Ca -0.41 -0.01 0.26 0.00 0.11 0.00 0.00 66.00 65.95 2ksy h PRO 182 Cb 1.24 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 2ksy h PRO 182 CO 0.26 0.16 0.85 -1.35 -0.21 0.00 0.00 178.00 177.72 2ksy h PRO 183 N 0.26 0.00 0.00 1.05 0.11 -1.86 -3.38 132.00 128.17 2ksy h PRO 183 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 2ksy h PRO 183 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2ksy h PRO 183 CO -0.58 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.62 2ksy n GLY 184 N -1.66 2.12 0.35 -0.55 0.00 -0.49 -4.69 105.19 100.28 2ksy n GLY 184 Ca 0.19 -0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.38 2ksy n GLY 184 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2ksy h VAL 185 N 0.00 0.27 -5.49 1.61 -1.51 -0.60 -3.47 116.25 107.06 2ksy h VAL 185 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.44 2ksy h VAL 185 Cb 0.00 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 29.90 2ksy h VAL 185 CO 0.00 0.00 -0.89 0.00 -1.23 0.00 0.00 177.57 175.45 2ksy n ALA 186 N -2.19 -3.04 -0.11 5.19 0.00 -0.31 -4.98 120.51 115.07 2ksy n ALA 186 Ca 0.02 0.58 -0.24 0.00 0.00 0.00 0.00 53.44 53.80 2ksy n ALA 186 Cb 0.42 -1.71 -0.11 0.00 0.00 0.00 0.00 19.45 18.05 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 0.48 1.94 0.00 0.00 4.77 0.10 -4.91 117.00 119.39 2ksy n LEU 187 Ca 0.02 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2ksy n LEU 187 Cb 0.25 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 2ksy n LEU 187 CO 0.39 0.39 0.00 0.18 -1.33 0.00 0.00 177.39 177.02 2ksy n LEU 188 N -4.32 0.00 -4.90 2.23 4.77 -1.26 -5.11 117.00 108.41 2ksy n LEU 188 Ca -0.37 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.28 2ksy n LEU 188 Cb 0.75 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.80 2ksy n LEU 188 CO 0.17 -0.10 -0.09 0.28 -1.33 0.00 0.00 177.39 176.32 2ksy s THR 189 N 1.61 5.34 0.32 -5.08 -1.32 -1.26 -4.76 115.64 110.48 2ksy s THR 189 Ca 0.00 -0.06 0.08 0.00 -1.21 0.00 0.00 61.69 60.51 2ksy s THR 189 Cb 0.00 -3.58 0.33 0.00 -1.51 0.00 0.00 72.50 67.74 2ksy s THR 189 CO 0.00 0.26 1.64 -0.65 -2.21 0.00 0.00 174.62 173.66 2ksy h PRO 190 N 3.58 0.22 -0.55 7.08 0.11 -1.99 0.67 132.00 141.12 2ksy h PRO 190 Ca -0.48 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.63 2ksy h PRO 190 Cb 1.18 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 2ksy h PRO 190 CO 0.70 0.15 0.35 1.79 -0.21 0.00 0.00 178.00 180.77 2ksy h THR 191 N 0.23 1.10 0.07 -1.15 1.35 -1.98 0.43 112.91 112.96 2ksy h THR 191 Ca 0.65 -0.24 -0.00 0.00 -0.55 0.00 0.00 66.41 66.27 2ksy h THR 191 Cb 1.43 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 2ksy h THR 191 CO -0.66 0.13 -0.04 0.58 -0.25 0.00 0.00 175.52 175.28 2ksy h VAL 192 N 0.69 1.20 0.15 6.82 2.07 -1.31 -2.24 116.25 123.63 2ksy h VAL 192 Ca 0.21 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 2ksy h VAL 192 Cb -0.03 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2ksy h VAL 192 CO -0.07 0.27 -0.11 0.44 0.02 0.00 0.00 177.57 178.12 2ksy h ASP 193 N -0.62 -0.27 -0.64 0.57 3.32 -1.22 -2.41 116.42 115.14 2ksy h ASP 193 Ca -0.01 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.09 2ksy h ASP 193 Cb 0.52 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.12 2ksy h ASP 193 CO 0.02 -0.17 0.43 0.58 -1.72 0.00 0.00 179.24 178.37 2ksy h VAL 194 N -0.26 1.09 -0.33 -1.35 2.07 -1.01 -2.17 116.25 114.29 2ksy h VAL 194 Ca -0.01 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.28 2ksy h VAL 194 Cb 0.23 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 2ksy h VAL 194 CO -0.00 0.14 0.12 0.00 0.02 0.00 0.00 177.57 177.85 2ksy h ALA 195 N 1.63 0.39 -0.85 1.67 0.00 -0.92 -0.40 119.26 120.77 2ksy h ALA 195 Ca 0.26 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2ksy h ALA 195 Cb 0.07 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2ksy h ALA 195 CO -0.07 -0.27 0.45 -0.07 0.00 0.00 0.00 179.25 179.29 2ksy h LEU 196 N 0.27 1.08 0.68 0.00 3.38 -1.03 -0.59 115.31 119.11 2ksy h LEU 196 Ca 0.15 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2ksy h LEU 196 Cb 0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2ksy h LEU 196 CO -0.15 0.88 -0.47 0.40 0.09 0.00 0.00 178.44 179.20 2ksy h ILE 197 N 1.20 0.06 -0.90 1.22 1.08 -0.85 0.34 117.51 119.66 2ksy h ILE 197 Ca 0.30 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.97 2ksy h ILE 197 Cb 0.06 0.06 -0.07 0.00 -3.07 0.00 0.00 36.82 33.80 2ksy h ILE 197 CO -0.04 0.00 0.60 0.58 -0.69 0.00 0.00 178.15 178.59 2ksy h VAL 198 N -1.10 0.68 -0.04 1.67 2.07 -0.96 0.47 116.25 119.04 2ksy h VAL 198 Ca -0.09 -0.14 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 2ksy h VAL 198 Cb 0.90 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2ksy h VAL 198 CO 0.05 0.08 -0.50 0.22 0.02 0.00 0.00 177.57 177.44 2ksy h TYR 199 N 0.42 0.11 -0.13 1.57 3.20 -0.08 -1.74 116.97 120.32 2ksy h TYR 199 Ca 0.47 -0.04 -0.20 0.00 3.14 0.00 0.00 58.73 62.11 2ksy h TYR 199 Cb 1.16 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.41 2ksy h TYR 199 CO -0.00 0.58 -0.73 -0.07 -1.64 0.00 0.00 178.16 176.30 2ksy h LEU 200 N 0.08 0.72 -0.16 2.82 3.38 0.39 -1.89 115.31 120.65 2ksy h LEU 200 Ca 0.00 -0.46 -0.23 0.00 0.09 0.00 0.00 57.88 57.28 2ksy h LEU 200 Cb 0.92 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.47 2ksy h LEU 200 CO 0.07 1.23 -0.82 0.44 0.09 0.00 0.00 178.44 179.45 2ksy h ASP 201 N 0.42 0.89 0.55 -0.43 3.32 -1.15 -2.77 116.42 117.26 2ksy h ASP 201 Ca -0.04 -0.61 -0.09 0.00 0.02 0.00 0.00 57.03 56.32 2ksy h ASP 201 Cb 1.33 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 2ksy h ASP 201 CO 0.14 1.40 -0.44 -0.07 -1.72 0.00 0.00 179.24 178.55 2ksy h LEU 202 N 0.49 0.00 0.03 1.55 3.38 -1.34 -3.10 115.31 116.32 2ksy h LEU 202 Ca -0.06 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.64 2ksy h LEU 202 Cb 1.44 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.21 2ksy h LEU 202 CO 0.16 0.44 -1.16 1.62 0.09 0.00 0.00 178.44 179.60 2ksy h VAL 203 N 0.00 1.41 0.00 1.22 3.04 -1.33 -2.33 116.25 118.26 2ksy h VAL 203 Ca -0.00 -2.72 0.00 0.00 -1.01 0.00 0.00 66.70 62.97 2ksy h VAL 203 Cb 0.84 2.73 0.00 0.00 -2.01 0.00 0.00 31.29 32.84 2ksy h VAL 203 CO 0.06 0.81 0.00 0.41 -1.01 0.00 0.00 177.57 177.83 2ksy n THR 204 N -3.67 0.00 0.00 3.17 -1.04 -1.05 0.38 114.28 112.08 2ksy n THR 204 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2ksy n THR 204 Cb 0.96 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 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 -0.74 0.00 0.41 12.58 0.31 -0.88 -2.49 118.33 127.52 2ksy n VAL 206 Ca 0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.17 2ksy n VAL 206 Cb 0.01 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.85 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 -1.33 2.00 2.92 0.00 -0.17 0.73 103.07 107.22 2ksy h GLY 207 Ca 0.00 0.55 -0.09 0.00 0.00 0.00 0.00 47.33 47.79 2ksy h GLY 207 CO 0.00 -0.44 -0.42 0.27 0.00 0.00 0.00 176.54 175.95 2ksy h PHE 208 N -1.17 0.00 -0.26 5.60 -5.15 -1.58 -2.55 116.94 111.82 2ksy h PHE 208 Ca -0.10 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.60 2ksy h PHE 208 Cb 0.95 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.10 2ksy h PHE 208 CO -0.12 0.42 -0.12 0.78 -2.00 0.00 0.00 178.31 177.27 2ksy h GLY 209 N 1.92 0.47 0.76 6.09 0.00 -1.71 1.89 103.07 112.48 2ksy h GLY 209 Ca -0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 46.90 2ksy h GLY 209 CO 0.05 0.29 -0.40 0.74 0.00 0.00 0.00 176.54 177.22 2ksy h PHE 210 N 0.41 0.55 0.00 5.60 0.04 -0.60 -1.70 116.94 121.23 2ksy h PHE 210 Ca 0.08 -0.25 -0.04 0.00 2.80 0.00 0.00 57.97 60.56 2ksy h PHE 210 Cb 0.45 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 2ksy h PHE 210 CO 0.01 1.01 -0.18 0.82 -0.60 0.00 0.00 178.31 179.37 2ksy h ILE 211 N -0.06 0.89 -0.44 -0.55 2.04 -1.16 -2.03 117.51 116.21 2ksy h ILE 211 Ca -0.03 -0.68 -0.04 0.00 1.00 0.00 0.00 64.86 65.12 2ksy h ILE 211 Cb 1.06 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 2ksy h ILE 211 CO 0.08 0.18 0.12 0.00 0.00 0.00 0.00 178.15 178.53 2ksy h ALA 212 N 1.82 0.58 -0.16 1.87 0.00 0.33 -1.59 119.26 122.11 2ksy h ALA 212 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2ksy h ALA 212 Cb 0.38 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2ksy h ALA 212 CO 0.02 0.25 -0.15 -0.07 0.00 0.00 0.00 179.25 179.30 2ksy h LEU 213 N 0.57 0.40 -0.36 0.00 3.38 -0.77 -1.86 115.31 116.68 2ksy h LEU 213 Ca 0.14 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 57.66 2ksy h LEU 213 Cb 0.30 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2ksy h LEU 213 CO -0.00 0.79 0.17 0.44 0.09 0.00 0.00 178.44 179.93 2ksy h ASP 214 N 0.01 0.25 0.35 -0.43 3.32 -1.36 0.87 116.42 119.44 2ksy h ASP 214 Ca 0.03 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 2ksy h ASP 214 Cb 0.67 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2ksy h ASP 214 CO 0.04 0.18 -0.17 0.00 -1.72 0.00 0.00 179.24 177.57 2ksy h ALA 215 N 1.19 -0.48 -0.85 3.45 0.00 -1.32 -2.01 119.26 119.25 2ksy h ALA 215 Ca 0.15 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2ksy h ALA 215 Cb 0.07 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.98 2ksy h ALA 215 CO -0.11 -0.70 0.55 0.00 0.00 0.00 0.00 179.25 178.99 2ksy h ALA 216 N -0.02 1.67 -0.64 0.00 0.00 -1.21 -0.17 119.26 118.89 2ksy h ALA 216 Ca -0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2ksy h ALA 216 Cb 0.45 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2ksy h ALA 216 CO 0.08 0.17 0.21 0.00 0.00 0.00 0.00 179.25 179.71 2ksy h ALA 217 N 1.57 1.18 -0.42 0.00 0.00 -0.64 -2.45 119.26 118.50 2ksy h ALA 217 Ca 0.39 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 2ksy h ALA 217 Cb 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2ksy h ALA 217 CO -0.15 0.58 -0.27 1.15 0.00 0.00 0.00 179.25 180.55 2ksy h THR 218 N 0.93 1.27 -0.83 0.00 2.02 -0.32 0.81 112.91 116.79 2ksy h THR 218 Ca 0.21 -1.43 0.07 0.00 0.77 0.00 0.00 66.41 66.03 2ksy h THR 218 Cb 0.24 1.23 -0.06 0.00 -1.74 0.00 0.00 68.15 67.82 2ksy h THR 218 CO -0.01 0.48 0.50 -0.07 0.37 0.00 0.00 175.52 176.79 2ksy h LEU 219 N 0.77 0.76 0.00 2.58 3.38 -0.75 -0.25 115.31 121.81 2ksy h LEU 219 Ca 0.09 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2ksy h LEU 219 Cb 0.84 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2ksy h LEU 219 CO 0.07 0.47 -0.38 0.03 0.09 0.00 0.00 178.44 178.73 2ksy h ARG 220 N 0.89 0.00 -0.56 1.13 3.08 -1.34 -3.32 114.38 114.26 2ksy h ARG 220 Ca 0.37 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.35 2ksy h ARG 220 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2ksy h ARG 220 CO -0.20 0.00 0.08 0.00 -1.07 0.00 0.00 179.97 178.78 2ksy h ALA 221 N 2.21 1.07 0.00 0.04 0.00 0.98 -1.85 119.26 121.72 2ksy h ALA 221 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2ksy h ALA 221 Cb 0.90 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2ksy h ALA 221 CO 0.00 0.60 0.00 -0.85 0.00 0.00 0.00 179.25 179.00 2ksy n GLU 222 N -4.23 0.08 -0.27 0.00 0.28 -0.96 -1.81 120.64 113.72 2ksy n GLU 222 Ca 0.04 0.19 0.11 0.00 -0.16 0.00 0.00 57.16 57.34 2ksy n GLU 222 Cb 0.28 -1.50 0.27 0.00 1.43 0.00 0.00 31.44 31.92 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 -1.43 0.72 1.34 -1.84 8.25 -0.70 -4.23 115.22 117.34 2ksy n HIS 223 Ca 0.05 -0.36 0.12 0.00 -0.26 0.00 0.00 57.72 57.27 2ksy n HIS 223 Cb 0.17 0.00 0.68 0.00 1.12 0.00 0.00 29.99 31.96 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 1.52 -0.99 2.79 -1.41 0.00 -0.75 -4.64 105.19 101.70 2ksy n GLY 224 Ca 0.21 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 2ksy n GLY 224 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ksy s GLU 225 N -2.36 0.46 -0.30 1.61 2.12 -1.26 -5.12 118.70 113.85 2ksy s GLU 225 Ca 0.29 0.10 -0.12 0.00 0.36 0.00 0.00 54.97 55.60 2ksy s GLU 225 Cb 0.17 -0.73 0.13 0.00 0.26 0.00 0.00 34.13 33.96 2ksy s GLU 225 CO 0.35 -0.21 0.75 -1.54 -0.54 0.00 0.00 175.26 174.06 2ksy s SER 226 N 1.51 -0.96 0.39 -1.70 1.04 -1.26 -5.02 113.70 107.69 2ksy s SER 226 Ca -0.03 1.36 0.23 0.00 0.48 0.00 0.00 55.95 58.00 2ksy s SER 226 Cb -0.13 1.95 0.37 0.00 0.10 0.00 0.00 66.02 68.32 2ksy s SER 226 CO -0.03 -0.19 1.58 -0.07 0.98 0.00 0.00 173.24 175.51 2ksy h LEU 227 N 7.61 0.00 1.47 2.42 4.07 -2.00 -3.47 115.31 125.41 2ksy h LEU 227 Ca -0.20 -0.00 -0.28 0.00 0.08 0.00 0.00 57.88 57.48 2ksy h LEU 227 Cb 1.13 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.79 2ksy h LEU 227 CO 0.11 0.00 -0.28 0.00 -1.08 0.00 0.00 178.44 177.19 2ksy n ALA 228 N -2.06 -0.36 -1.82 1.53 0.00 -1.26 -4.73 120.51 111.80 2ksy n ALA 228 Ca 0.04 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2ksy n ALA 228 Cb 0.52 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2ksy n ALA 228 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ksy n GLY 229 N -0.42 1.44 3.89 0.00 0.00 -1.26 -5.13 105.19 103.71 2ksy n GLY 229 Ca -0.15 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 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 0.76 5.05 -0.77 1.61 -7.23 -1.26 -5.04 120.40 113.52 2ksy s VAL 230 Ca 0.00 0.22 -0.17 0.00 -1.81 0.00 0.00 61.98 60.23 2ksy s VAL 230 Cb 0.00 -3.63 0.16 0.00 0.56 0.00 0.00 36.38 33.47 2ksy s VAL 230 CO 0.00 -0.03 0.83 -1.81 -0.31 0.00 0.00 175.10 173.77 2ksy s ASP 231 N -2.45 6.54 0.50 4.85 1.01 -1.26 -4.86 116.67 120.99 2ksy s ASP 231 Ca 0.44 -2.13 -0.02 0.00 0.71 0.00 0.00 52.55 51.55 2ksy s ASP 231 Cb -0.12 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.53 2ksy s ASP 231 CO 0.23 -0.86 0.75 0.28 0.21 0.00 0.00 175.17 175.78 2ksy s THR 232 N 1.58 3.86 -0.27 -1.27 -1.32 -1.26 -5.11 115.64 111.85 2ksy s THR 232 Ca 0.19 -0.34 -0.10 0.00 -1.21 0.00 0.00 61.69 60.24 2ksy s THR 232 Cb -0.14 -3.46 0.12 0.00 -1.51 0.00 0.00 72.50 67.51 2ksy s THR 232 CO -0.04 -0.37 0.60 -0.62 -2.21 0.00 0.00 174.62 171.97 2ksy s ASP 233 N -4.25 -0.92 -0.31 8.08 2.15 -1.26 -5.04 116.67 115.11 2ksy s ASP 233 Ca 0.50 1.43 -0.04 0.00 0.43 0.00 0.00 52.55 54.88 2ksy s ASP 233 Cb -0.10 2.01 0.00 0.00 -0.30 0.00 0.00 42.92 44.53 2ksy s ASP 233 CO 0.40 -0.22 0.12 0.41 -0.17 0.00 0.00 175.17 175.71 2ksy n THR 234 N 5.34-11.12 0.20 1.71 -1.04 -1.26 -4.92 114.28 103.20 2ksy n THR 234 Ca -0.12 1.57 0.09 0.00 -2.04 0.00 0.00 64.05 63.55 2ksy n THR 234 Cb 0.50 -6.69 0.17 0.00 -1.82 0.00 0.00 70.33 62.49 2ksy n THR 234 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2ksy h PRO 235 N 2.90 0.00 -3.87 -2.82 0.13 -2.05 -3.45 132.00 122.84 2ksy h PRO 235 Ca -0.01 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.88 2ksy h PRO 235 Cb 0.27 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.13 2ksy h PRO 235 CO 0.11 0.17 -0.72 0.00 -0.23 0.00 0.00 178.00 177.33 2ksy s ALA 236 N -3.18 0.10 0.58 -0.56 0.00 -1.26 -5.17 121.76 112.26 2ksy s ALA 236 Ca 0.05 -0.11 0.08 0.00 0.00 0.00 0.00 51.96 51.98 2ksy s ALA 236 Cb 0.06 -0.00 0.07 0.00 0.00 0.00 0.00 23.12 23.25 2ksy s ALA 236 CO 0.68 0.00 0.63 0.14 0.00 0.00 0.00 175.76 177.22 2ksy s VAL 237 N -0.19 1.83 0.98 0.00 -7.23 -1.26 -5.11 120.40 109.42 2ksy s VAL 237 Ca -0.01 -1.22 -0.12 0.00 -1.81 0.00 0.00 61.98 58.81 2ksy s VAL 237 Cb -0.01 -2.05 0.18 0.00 0.56 0.00 0.00 36.38 35.05 2ksy s VAL 237 CO -0.00 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 175.87 2ksy s ALA 238 N -2.74 0.96 0.04 1.32 0.00 -1.26 -5.02 121.76 115.07 2ksy s ALA 238 Ca 0.49 -0.17 -0.17 0.00 0.00 0.00 0.00 51.96 52.11 2ksy s ALA 238 Cb -0.04 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 2ksy s ALA 238 CO 0.31 -2.82 0.50 -0.51 0.00 0.00 0.00 175.76 173.24 2ksy s ASP 239 N -3.25 6.96 0.08 0.00 1.11 -1.26 -4.98 116.67 115.32 2ksy s ASP 239 Ca 0.65 1.14 0.23 0.00 0.18 0.00 0.00 52.55 54.75 2ksy s ASP 239 Cb -0.20 -2.31 0.14 0.00 1.07 0.00 0.00 42.92 41.62 2ksy s ASP 239 CO 0.58 0.29 1.11 0.18 1.18 0.00 0.00 175.17 178.52 2ksy n LEU 240 N 1.74 0.64 -4.60 1.23 4.32 -1.26 -4.88 117.00 114.19 2ksy n LEU 240 Ca -0.12 0.07 -0.34 0.00 -0.02 0.00 0.00 56.01 55.61 2ksy n LEU 240 Cb 0.51 -0.12 -0.11 0.00 -1.62 0.00 0.00 43.42 42.09 2ksy n LEU 240 CO 0.40 0.00 -0.37 -0.70 -1.22 0.00 0.00 177.39 175.50 2ksy s GLU 241 N -3.20 2.74 -0.28 3.23 2.12 -1.26 -5.10 118.70 116.95 2ksy s GLU 241 Ca 0.04 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 54.81 2ksy s GLU 241 Cb 0.14 -2.60 0.06 0.00 0.26 0.00 0.00 34.13 31.98 2ksy s GLU 241 CO 0.78 0.65 -0.05 -1.01 -0.54 0.00 0.00 175.26 175.10 2ksy s HIS 242 N -0.88 3.28 0.00 5.30 3.76 -1.26 -4.86 115.29 120.63 2ksy s HIS 242 Ca 0.14 -2.09 0.00 0.00 -0.15 0.00 0.00 55.06 52.96 2ksy s HIS 242 Cb -0.11 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.53 2ksy s HIS 242 CO 0.03 -0.84 0.00 1.58 -0.85 0.00 0.00 174.74 174.66 2ksy n HIS 243 N 4.53 0.00 0.00 1.40 -0.00 -1.26 -5.07 115.22 114.82 2ksy n HIS 243 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.59 2ksy n HIS 243 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.42 2ksy n HIS 243 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ksy n HIS 244 N 0.00 0.00 -2.37 1.57 8.25 -1.26 -4.64 115.22 116.76 2ksy n HIS 244 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2ksy n HIS 244 Cb 0.02 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 2ksy n HIS 244 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2ksy s HIS 245 N 0.00 2.31 0.43 4.41 5.65 -1.26 -5.00 115.29 121.83 2ksy s HIS 245 Ca 0.00 0.54 -0.01 0.00 0.25 0.00 0.00 55.06 55.84 2ksy s HIS 245 Cb 0.00 -4.36 -0.02 0.00 -1.18 0.00 0.00 32.58 27.02 2ksy s HIS 245 CO 0.00 -1.97 0.66 -1.01 -0.65 0.00 0.00 174.74 171.77 2ksy s HIS 246 N 5.92 3.39 -2.16 3.88 0.09 -1.26 -5.22 115.29 119.92 2ksy s HIS 246 Ca 0.55 0.40 0.17 0.00 -0.00 0.00 0.00 55.06 56.19 2ksy s HIS 246 Cb -0.12 -2.19 0.14 0.00 -0.00 0.00 0.00 32.58 30.42 2ksy s HIS 246 CO 0.27 -0.20 1.05 0.72 -0.00 0.00 0.00 174.74 176.58