#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 0.00-12.00 0.00 1.12 0.31 -1.26 -4.89 118.33 101.61 2ksy n VAL 2 Ca 0.00 2.62 0.00 0.00 -0.01 0.00 0.00 64.34 66.95 2ksy n VAL 2 Cb 0.00 -6.06 0.00 0.00 -0.91 0.00 0.00 33.84 26.87 2ksy n VAL 2 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ksy n GLY 3 N 1.56 3.47 0.17 2.92 0.00 -1.26 -4.97 105.19 107.08 2ksy n GLY 3 Ca -0.24 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 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 0.52 -1.73 0.99 5.85 -1.99 -3.18 115.31 115.77 2ksy h LEU 4 Ca 0.00 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 2ksy h LEU 4 Cb 0.00 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 2ksy h LEU 4 CO 0.00 1.14 -0.13 0.71 -0.34 0.00 0.00 178.44 179.82 2ksy h THR 5 N 0.27 1.10 -0.77 1.05 1.35 -1.89 -2.40 112.91 111.61 2ksy h THR 5 Ca -0.05 -0.46 0.12 0.00 -0.55 0.00 0.00 66.41 65.48 2ksy h THR 5 Cb 1.41 1.24 -0.05 0.00 -1.73 0.00 0.00 68.15 69.02 2ksy h THR 5 CO 0.14 0.13 0.51 0.71 -0.25 0.00 0.00 175.52 176.76 2ksy h THR 6 N 0.01 0.86 0.11 6.82 1.35 -1.88 -2.12 112.91 118.06 2ksy h THR 6 Ca 0.00 -0.19 0.01 0.00 -0.55 0.00 0.00 66.41 65.68 2ksy h THR 6 Cb 0.23 0.25 -0.03 0.00 -1.73 0.00 0.00 68.15 66.88 2ksy h THR 6 CO 0.02 0.10 -0.19 -0.07 -0.25 0.00 0.00 175.52 175.13 2ksy h LEU 7 N 0.57 -0.54 -1.29 3.87 -0.00 -1.60 -0.90 115.31 115.42 2ksy h LEU 7 Ca 0.37 0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 58.31 2ksy h LEU 7 Cb 0.66 0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 41.49 2ksy h LEU 7 CO -0.14 -0.27 0.35 -0.26 -0.00 0.00 0.00 178.44 178.11 2ksy h PHE 8 N -0.37 0.81 -0.54 1.13 0.04 -1.54 -2.01 116.94 114.45 2ksy h PHE 8 Ca 0.03 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 2ksy h PHE 8 Cb 0.39 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.25 2ksy h PHE 8 CO -0.19 0.55 0.30 -1.49 -0.60 0.00 0.00 178.31 176.89 2ksy h TRP 9 N 0.84 0.73 -0.70 -0.55 -0.00 -0.89 -1.49 115.95 113.89 2ksy h TRP 9 Ca 0.22 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.89 59.09 2ksy h TRP 9 Cb -0.00 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.16 28.89 2ksy h TRP 9 CO 0.00 0.53 0.42 -0.07 -0.00 0.00 0.00 178.44 179.32 2ksy h LEU 10 N 0.72 0.84 -1.80 -4.49 3.38 -0.60 -1.59 115.31 111.77 2ksy h LEU 10 Ca 0.19 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2ksy h LEU 10 Cb 0.03 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2ksy h LEU 10 CO -0.03 0.66 -0.10 1.23 0.09 0.00 0.00 178.44 180.28 2ksy h GLY 11 N 0.95 0.00 1.71 0.83 0.00 -0.86 -1.91 103.07 103.78 2ksy h GLY 11 Ca 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.42 2ksy h GLY 11 CO -0.05 0.00 -0.65 0.00 0.00 0.00 0.00 176.54 175.84 2ksy h ALA 12 N 1.90 0.75 0.35 3.60 0.00 -0.33 -1.67 119.26 123.87 2ksy h ALA 12 Ca -0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 2ksy h ALA 12 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2ksy h ALA 12 CO 0.01 0.75 -0.17 0.82 0.00 0.00 0.00 179.25 180.67 2ksy h ILE 13 N 0.21 0.66 -0.26 0.00 2.04 -0.79 -0.26 117.51 119.12 2ksy h ILE 13 Ca -0.01 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.40 2ksy h ILE 13 Cb 1.18 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 2ksy h ILE 13 CO 0.10 0.07 -0.17 1.23 0.00 0.00 0.00 178.15 179.39 2ksy h GLY 14 N -0.68 0.49 0.72 5.37 0.00 -1.56 -2.75 103.07 104.67 2ksy h GLY 14 Ca -0.05 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 2ksy h GLY 14 CO 0.08 0.33 0.00 1.98 0.00 0.00 0.00 176.54 178.93 2ksy h MET 15 N 0.42 0.02 -0.86 4.80 -1.53 -1.23 -2.58 114.93 113.97 2ksy h MET 15 Ca 0.07 -0.01 0.13 0.00 -3.44 0.00 0.00 59.70 56.45 2ksy h MET 15 Cb 0.54 -0.00 -0.09 0.00 -0.55 0.00 0.00 31.60 31.50 2ksy h MET 15 CO 0.03 0.30 0.47 -0.07 0.14 0.00 0.00 176.91 177.78 2ksy h LEU 16 N -0.26 0.62 -0.87 3.39 3.38 -0.94 0.51 115.31 121.13 2ksy h LEU 16 Ca 0.00 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2ksy h LEU 16 Cb 0.29 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2ksy h LEU 16 CO 0.00 0.30 0.56 0.58 0.09 0.00 0.00 178.44 179.98 2ksy h VAL 17 N 0.71 1.15 -0.67 1.22 2.07 -1.34 -1.94 116.25 117.45 2ksy h VAL 17 Ca 0.45 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.52 2ksy h VAL 17 Cb 0.55 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 2ksy h VAL 17 CO -0.31 0.20 0.15 1.23 0.02 0.00 0.00 177.57 178.86 2ksy h GLY 18 N 1.10 1.17 0.10 2.17 0.00 -0.57 -0.27 103.07 106.78 2ksy h GLY 18 Ca 0.34 -0.75 0.06 0.00 0.00 0.00 0.00 47.33 46.98 2ksy h GLY 18 CO -0.11 0.70 -0.29 -0.84 0.00 0.00 0.00 176.54 176.00 2ksy h THR 19 N 1.01 0.32 -0.26 4.70 2.02 -0.35 -0.67 112.91 119.69 2ksy h THR 19 Ca 0.21 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.20 2ksy h THR 19 Cb 0.39 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2ksy h THR 19 CO 0.01 0.00 -0.60 -0.07 0.37 0.00 0.00 175.52 175.23 2ksy h LEU 20 N -0.31 0.96 -0.72 2.58 3.38 -1.43 -2.30 115.31 117.47 2ksy h LEU 20 Ca 0.12 -0.54 0.09 0.00 0.09 0.00 0.00 57.88 57.65 2ksy h LEU 20 Cb 0.51 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 2ksy h LEU 20 CO -0.40 1.34 0.36 0.00 0.09 0.00 0.00 178.44 179.83 2ksy h ALA 21 N 0.68 1.00 0.00 1.53 0.00 -0.51 -1.69 119.26 120.26 2ksy h ALA 21 Ca 0.00 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 2ksy h ALA 21 Cb 1.21 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2ksy h ALA 21 CO 0.13 -0.04 -1.15 0.74 0.00 0.00 0.00 179.25 178.93 2ksy h PHE 22 N 0.62 0.00 0.11 0.00 0.04 -1.18 -2.69 116.94 113.83 2ksy h PHE 22 Ca 0.35 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.12 2ksy h PHE 22 Cb 0.37 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.52 2ksy h PHE 22 CO -0.10 0.82 -0.05 0.00 -0.60 0.00 0.00 178.31 178.38 2ksy h ALA 23 N 1.18 -0.15 0.00 2.45 0.00 -0.92 -3.31 119.26 118.51 2ksy h ALA 23 Ca -0.11 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 2ksy h ALA 23 Cb 1.72 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 2ksy h ALA 23 CO 0.09 -0.46 -1.24 2.35 0.00 0.00 0.00 179.25 179.99 2ksy h TRP 24 N -0.40 0.00 -0.70 0.00 -0.00 -1.48 -3.31 115.95 110.05 2ksy h TRP 24 Ca -0.02 0.00 0.15 0.00 -0.00 0.00 0.00 58.89 59.03 2ksy h TRP 24 Cb 0.33 0.00 -0.12 0.00 -0.00 0.00 0.00 29.16 29.37 2ksy h TRP 24 CO 0.01 0.67 -0.03 0.00 -0.00 0.00 0.00 178.44 179.10 2ksy h ALA 25 N 1.33 0.67 0.00 2.65 0.00 -1.56 1.51 119.26 123.86 2ksy h ALA 25 Ca -0.14 0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2ksy h ALA 25 Cb 1.63 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 2ksy h ALA 25 CO 0.06 -0.41 -0.20 0.78 0.00 0.00 0.00 179.25 179.48 2ksy h GLY 26 N 0.09 0.00 -5.38 0.00 0.00 -1.70 -3.48 103.07 92.60 2ksy h GLY 26 Ca 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 2ksy h GLY 26 CO -0.63 0.00 -0.20 0.54 0.00 0.00 0.00 176.54 176.25 2ksy n ARG 27 N -3.41 -1.68 0.00 4.80 1.74 0.52 -3.91 116.66 114.72 2ksy n ARG 27 Ca -0.00 1.69 0.00 0.00 -0.77 0.00 0.00 57.85 58.77 2ksy n ARG 27 Cb 0.39 -5.63 0.00 0.00 -1.02 0.00 0.00 32.46 26.20 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 -1.29 0.00 -1.01 0.55 2.03 -1.26 -4.91 116.55 110.67 2ksy n ASP 28 Ca 0.03 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.44 2ksy n ASP 28 Cb 0.49 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.87 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 0.10 -1.84 -1.14 -1.67 0.00 -1.25 -4.86 120.51 109.83 2ksy n ALA 29 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2ksy n ALA 29 Cb 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 -2.23 1.66 0.00 0.00 0.00 -1.26 -5.03 105.19 98.33 2ksy n GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ksy n GLY 30 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ksy n SER 31 N 0.00 0.00 0.08 1.61 7.64 -1.26 -4.78 113.62 116.91 2ksy n SER 31 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 2ksy n SER 31 Cb 0.00 0.00 0.37 0.00 -1.01 0.00 0.00 64.21 63.57 2ksy n SER 31 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2ksy h GLY 32 N 0.00 0.35 1.07 0.23 0.00 -1.99 -2.52 103.07 100.22 2ksy h GLY 32 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 2ksy h GLY 32 CO 0.00 0.20 -0.97 0.83 0.00 0.00 0.00 176.54 176.60 2ksy h GLU 33 N 0.32 0.00 -0.32 4.80 4.39 -1.97 -3.34 114.58 118.46 2ksy h GLU 33 Ca 0.07 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.86 2ksy h GLU 33 Cb 0.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2ksy h GLU 33 CO 0.02 0.03 0.25 0.00 -1.16 0.00 0.00 179.01 178.15 2ksy h ARG 34 N 0.00 0.00 0.24 2.33 3.08 -1.75 -2.29 114.38 115.99 2ksy h ARG 34 Ca -0.02 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.04 2ksy h ARG 34 Cb 1.06 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.08 2ksy h ARG 34 CO 0.00 0.00 -0.36 0.00 -1.07 0.00 0.00 179.97 178.55 2ksy h ARG 35 N 0.00 -0.64 -0.29 0.04 3.08 -1.69 0.31 114.38 115.19 2ksy h ARG 35 Ca 0.15 0.04 -0.18 0.00 0.07 0.00 0.00 59.98 60.06 2ksy h ARG 35 Cb 0.65 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.85 2ksy h ARG 35 CO -0.00 -0.43 -0.54 1.88 -1.07 0.00 0.00 179.97 179.81 2ksy h TYR 36 N -0.66 1.10 0.47 3.04 -1.99 -1.73 -2.55 116.97 114.64 2ksy h TYR 36 Ca 0.00 -0.39 -0.02 0.00 2.00 0.00 0.00 58.73 60.32 2ksy h TYR 36 Cb 0.64 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 39.17 2ksy h TYR 36 CO -0.26 1.22 -0.22 1.88 -0.00 0.00 0.00 178.16 180.78 2ksy h TYR 37 N 0.66 -0.58 -0.81 4.88 0.05 -1.31 -1.02 116.97 118.85 2ksy h TYR 37 Ca 0.01 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.85 2ksy h TYR 37 Cb 1.15 0.19 -0.05 0.00 1.01 0.00 0.00 36.73 39.03 2ksy h TYR 37 CO 0.07 -0.26 0.53 0.28 -1.05 0.00 0.00 178.16 177.73 2ksy h VAL 38 N -0.90 1.01 0.12 -2.88 2.07 -0.49 0.46 116.25 115.64 2ksy h VAL 38 Ca -0.06 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2ksy h VAL 38 Cb 0.58 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2ksy h VAL 38 CO 0.10 0.15 -0.06 0.74 0.02 0.00 0.00 177.57 178.53 2ksy h THR 39 N 0.84 0.99 0.04 2.57 2.02 -1.38 0.14 112.91 118.13 2ksy h THR 39 Ca 0.35 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2ksy h THR 39 Cb 0.30 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2ksy h THR 39 CO -0.13 0.11 -0.05 0.25 0.37 0.00 0.00 175.52 176.07 2ksy h LEU 40 N -0.38 -0.13 -1.56 2.58 5.85 -0.65 -1.69 115.31 119.32 2ksy h LEU 40 Ca -0.02 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.73 2ksy h LEU 40 Cb 0.31 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2ksy h LEU 40 CO 0.03 -0.08 0.30 0.58 -0.34 0.00 0.00 178.44 178.93 2ksy h VAL 41 N -0.11 1.10 -0.96 1.05 2.07 -0.93 -1.55 116.25 116.93 2ksy h VAL 41 Ca 0.01 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.39 2ksy h VAL 41 Cb 0.11 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 2ksy h VAL 41 CO -0.02 0.11 0.62 1.23 0.02 0.00 0.00 177.57 179.53 2ksy h GLY 42 N 0.60 1.43 0.72 2.17 0.00 0.21 0.17 103.07 108.36 2ksy h GLY 42 Ca 0.17 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 2ksy h GLY 42 CO -0.04 0.31 -0.11 -2.22 0.00 0.00 0.00 176.54 174.48 2ksy h ILE 43 N 1.09 0.84 0.00 2.60 2.04 -0.82 -2.13 117.51 121.13 2ksy h ILE 43 Ca 0.41 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 2ksy h ILE 43 Cb 0.20 1.15 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2ksy h ILE 43 CO -0.16 0.12 -0.01 0.77 0.00 0.00 0.00 178.15 178.86 2ksy h SER 44 N -0.59 0.00 0.18 1.72 4.64 -1.24 -1.88 113.55 116.38 2ksy h SER 44 Ca -0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2ksy h SER 44 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2ksy h SER 44 CO 0.05 0.01 -0.08 1.23 -0.87 0.00 0.00 176.83 177.17 2ksy h GLY 45 N 0.36 -0.25 1.44 -0.77 0.00 -0.37 -2.49 103.07 100.99 2ksy h GLY 45 Ca -0.00 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2ksy h GLY 45 CO 0.00 -0.09 0.30 0.16 0.00 0.00 0.00 176.54 176.91 2ksy h ILE 46 N -1.05 1.16 -0.34 2.60 3.07 -1.30 -2.51 117.51 119.14 2ksy h ILE 46 Ca -0.02 -0.40 -0.07 0.00 1.55 0.00 0.00 64.86 65.91 2ksy h ILE 46 Cb 0.24 0.43 -0.01 0.00 -0.27 0.00 0.00 36.82 37.22 2ksy h ILE 46 CO 0.04 0.18 -0.06 0.00 -1.05 0.00 0.00 178.15 177.26 2ksy h ALA 47 N 1.59 0.47 -0.31 0.16 0.00 -1.47 -1.91 119.26 117.79 2ksy h ALA 47 Ca 0.19 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.88 2ksy h ALA 47 Cb 0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 2ksy h ALA 47 CO -0.03 0.29 -0.02 0.00 0.00 0.00 0.00 179.25 179.49 2ksy h ALA 48 N 0.83 0.26 -0.21 0.00 0.00 -1.01 -0.69 119.26 118.43 2ksy h ALA 48 Ca 0.09 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2ksy h ALA 48 Cb 0.55 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2ksy h ALA 48 CO 0.03 -0.42 -0.30 -0.39 0.00 0.00 0.00 179.25 178.17 2ksy h VAL 49 N 0.07 1.27 -0.72 0.00 -1.51 -1.48 -2.10 116.25 111.77 2ksy h VAL 49 Ca 0.15 -1.33 -0.04 0.00 -1.23 0.00 0.00 66.70 64.25 2ksy h VAL 49 Cb 0.21 1.44 -0.03 0.00 -2.13 0.00 0.00 31.29 30.77 2ksy h VAL 49 CO -0.27 0.42 0.30 0.00 -1.23 0.00 0.00 177.57 176.79 2ksy h ALA 50 N 1.32 1.17 -0.03 5.19 0.00 -0.49 -0.30 119.26 126.12 2ksy h ALA 50 Ca 0.05 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 2ksy h ALA 50 Cb 0.71 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2ksy h ALA 50 CO 0.05 0.61 -0.66 1.88 0.00 0.00 0.00 179.25 181.13 2ksy h TYR 51 N 1.04 0.16 -0.28 0.00 0.05 -0.91 -2.08 116.97 114.95 2ksy h TYR 51 Ca 0.24 -0.07 -0.12 0.00 0.05 0.00 0.00 58.73 58.84 2ksy h TYR 51 Cb 0.17 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.88 2ksy h TYR 51 CO 0.02 0.74 -0.31 0.00 -1.05 0.00 0.00 178.16 177.56 2ksy h ALA 52 N 1.24 0.41 -0.18 3.88 0.00 -0.75 -0.93 119.26 122.93 2ksy h ALA 52 Ca -0.01 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 2ksy h ALA 52 Cb 1.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2ksy h ALA 52 CO 0.09 0.45 -0.16 -0.39 0.00 0.00 0.00 179.25 179.24 2ksy h VAL 53 N 0.44 1.33 -0.08 0.00 -1.51 -1.05 -2.45 116.25 112.93 2ksy h VAL 53 Ca 0.04 -1.29 -0.05 0.00 -1.23 0.00 0.00 66.70 64.16 2ksy h VAL 53 Cb 0.89 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.80 2ksy h VAL 53 CO 0.08 0.39 -0.19 0.24 -1.23 0.00 0.00 177.57 176.85 2ksy h MET 54 N 0.10 0.12 0.00 5.19 2.07 -1.42 -1.27 114.93 119.72 2ksy h MET 54 Ca 0.03 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2ksy h MET 54 Cb 0.68 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.40 2ksy h MET 54 CO 0.04 0.32 0.00 0.00 1.07 0.00 0.00 176.91 178.34 2ksy h ALA 55 N 1.69 1.00 0.00 6.32 0.00 -1.00 -2.91 119.26 124.37 2ksy h ALA 55 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ksy h ALA 55 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2ksy h ALA 55 CO 0.03 0.00 -0.81 1.28 0.00 0.00 0.00 179.25 179.75 2ksy n LEU 56 N -2.35 0.63 0.00 0.00 4.77 -0.49 -4.80 117.00 114.75 2ksy n LEU 56 Ca 0.03 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2ksy n LEU 56 Cb 0.33 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2ksy n LEU 56 CO 0.25 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2ksy n GLY 57 N 1.40 3.16 3.76 -0.72 0.00 -1.10 -5.07 105.19 106.62 2ksy n GLY 57 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2ksy n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ksy s VAL 58 N -2.77 2.84 0.00 1.61 0.11 -1.18 -2.75 120.40 118.26 2ksy s VAL 58 Ca 0.00 0.54 0.00 0.00 -2.93 0.00 0.00 61.98 59.59 2ksy s VAL 58 Cb 0.00 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.63 2ksy s VAL 58 CO 0.00 -0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.28 2ksy n GLY 59 N 0.39 2.42 3.55 6.54 0.00 -1.26 -4.28 105.19 112.54 2ksy n GLY 59 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.24 2.08 -0.20 1.61 0.52 -1.11 -1.44 118.94 118.15 2ksy s TRP 60 Ca 0.00 0.15 -0.10 0.00 0.02 0.00 0.00 56.10 56.18 2ksy s TRP 60 Cb 0.00 -4.43 -0.05 0.00 -1.15 0.00 0.00 33.47 27.85 2ksy s TRP 60 CO 0.00 -2.10 0.13 0.54 0.02 0.00 0.00 176.95 175.54 2ksy s VAL 61 N 7.03 5.35 0.42 4.03 0.11 -0.67 -4.99 120.40 131.67 2ksy s VAL 61 Ca 0.49 0.17 -0.24 0.00 -2.93 0.00 0.00 61.98 59.48 2ksy s VAL 61 Cb -0.08 -3.45 -0.09 0.00 -1.53 0.00 0.00 36.38 31.24 2ksy s VAL 61 CO 0.12 0.43 1.08 -2.16 -3.33 0.00 0.00 175.10 171.23 2ksy s PRO 62 N 0.46 4.06 -0.32 1.54 0.04 -1.26 -2.59 135.00 136.94 2ksy s PRO 62 Ca 0.08 1.57 -0.02 0.00 0.04 0.00 0.00 61.00 62.66 2ksy s PRO 62 Cb -0.11 -2.50 0.12 0.00 0.04 0.00 0.00 34.50 32.05 2ksy s PRO 62 CO -0.01 -0.24 0.18 0.08 0.04 0.00 0.00 177.00 177.04 2ksy s VAL 63 N -1.64 0.00 0.00 -0.36 1.01 0.20 -4.93 120.40 114.68 2ksy s VAL 63 Ca 0.59 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2ksy s VAL 63 Cb -0.23 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.12 2ksy s VAL 63 CO 0.29 -0.84 0.00 0.00 0.00 0.00 0.00 175.10 174.55 2ksy n ALA 64 N 4.70 0.00 0.00 5.51 0.00 -1.26 -0.06 120.51 129.40 2ksy n ALA 64 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 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 5.15 -3.74 0.00 -0.00 -1.26 -5.05 120.64 115.73 2ksy n GLU 65 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.16 56.95 2ksy n GLU 65 Cb 0.00 -0.53 -0.03 0.00 -0.00 0.00 0.00 31.44 30.88 2ksy n GLU 65 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 2ksy s ARG 66 N -1.03 2.75 0.00 3.44 1.70 0.92 -5.14 118.95 121.60 2ksy s ARG 66 Ca 0.00 -1.29 0.06 0.00 -0.47 0.00 0.00 55.73 54.03 2ksy s ARG 66 Cb 0.00 -2.51 -0.02 0.00 -0.57 0.00 0.00 34.95 31.86 2ksy s ARG 66 CO 0.00 0.06 -0.18 0.99 -1.08 0.00 0.00 175.30 175.09 2ksy s THR 67 N -2.31 1.43 0.03 4.99 2.01 -1.26 -0.63 115.64 119.91 2ksy s THR 67 Ca 0.42 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.59 2ksy s THR 67 Cb -0.06 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.22 2ksy s THR 67 CO 0.27 0.32 -0.10 0.68 -0.69 0.00 0.00 174.62 175.10 2ksy s VAL 68 N -0.53 0.78 -0.26 3.82 -7.23 -1.07 -4.97 120.40 110.93 2ksy s VAL 68 Ca 0.06 -0.88 -0.07 0.00 -1.81 0.00 0.00 61.98 59.28 2ksy s VAL 68 Cb -0.07 -0.75 -0.01 0.00 0.56 0.00 0.00 36.38 36.11 2ksy s VAL 68 CO -0.00 -0.11 0.06 -0.36 -0.31 0.00 0.00 175.10 174.38 2ksy s PHE 69 N -0.90 3.09 0.27 2.82 0.08 -1.26 -1.67 117.98 120.40 2ksy s PHE 69 Ca -0.02 -0.67 0.01 0.00 0.12 0.00 0.00 56.93 56.37 2ksy s PHE 69 Cb -0.07 -2.23 0.37 0.00 -0.57 0.00 0.00 43.02 40.52 2ksy s PHE 69 CO 0.01 -0.46 1.71 -0.24 -0.10 0.00 0.00 175.22 176.14 2ksy h VAL 70 N 5.67 1.26 0.00 -0.44 3.04 -1.60 -2.94 116.25 121.23 2ksy h VAL 70 Ca -0.37 -1.24 0.00 0.00 -1.01 0.00 0.00 66.70 64.08 2ksy h VAL 70 Cb 1.16 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 2ksy h VAL 70 CO 0.59 0.40 0.00 -0.65 -1.01 0.00 0.00 177.57 176.90 2ksy h PRO 71 N 0.50 0.00 0.11 4.17 0.11 -1.89 -2.65 132.00 132.35 2ksy h PRO 71 Ca 0.08 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 2ksy h PRO 71 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 2ksy h PRO 71 CO 0.05 0.00 -0.05 -0.09 -0.21 0.00 0.00 178.00 177.70 2ksy h ARG 72 N 0.00 -0.14 -0.37 1.05 2.43 -1.87 -1.11 114.38 114.37 2ksy h ARG 72 Ca 0.00 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 2ksy h ARG 72 Cb 0.48 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2ksy h ARG 72 CO 0.00 0.34 -0.22 1.88 -1.51 0.00 0.00 179.97 180.46 2ksy h TYR 73 N -0.90 0.83 -0.40 2.20 0.05 -1.61 -2.51 116.97 114.62 2ksy h TYR 73 Ca -0.01 -0.19 -0.13 0.00 0.05 0.00 0.00 58.73 58.45 2ksy h TYR 73 Cb 0.54 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 2ksy h TYR 73 CO 0.11 0.89 -0.27 0.97 -1.05 0.00 0.00 178.16 178.81 2ksy h ILE 74 N 0.64 1.27 -0.71 -2.88 -0.00 -1.58 -2.55 117.51 111.70 2ksy h ILE 74 Ca 0.09 -1.41 0.02 0.00 -0.00 0.00 0.00 64.86 63.55 2ksy h ILE 74 Cb 0.72 1.25 -0.04 0.00 -0.00 0.00 0.00 36.82 38.75 2ksy h ILE 74 CO 0.06 0.47 0.47 -0.78 -0.00 0.00 0.00 178.15 178.37 2ksy h ASP 75 N 0.72 0.80 -0.58 2.19 3.58 -0.95 -1.49 116.42 120.69 2ksy h ASP 75 Ca 0.09 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.46 2ksy h ASP 75 Cb 0.81 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 2ksy h ASP 75 CO 0.07 0.57 0.11 -0.50 -2.88 0.00 0.00 179.24 176.60 2ksy h TRP 76 N 0.94 1.00 0.00 0.28 4.06 -1.13 0.20 115.95 121.30 2ksy h TRP 76 Ca 0.27 -0.13 -0.02 0.00 2.06 0.00 0.00 58.89 61.07 2ksy h TRP 76 Cb -0.06 -0.28 -0.00 0.00 -1.00 0.00 0.00 29.16 27.82 2ksy h TRP 76 CO -0.00 0.87 -0.08 0.82 -3.56 0.00 0.00 178.44 176.49 2ksy h ILE 77 N 0.84 0.92 0.00 1.49 2.04 -0.90 0.27 117.51 122.18 2ksy h ILE 77 Ca 0.18 -0.28 -0.24 0.00 1.00 0.00 0.00 64.86 65.52 2ksy h ILE 77 Cb 0.40 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 2ksy h ILE 77 CO 0.01 0.08 -1.61 0.18 0.00 0.00 0.00 178.15 176.80 2ksy n LEU 78 N -4.25 0.82 -0.04 1.44 4.77 -0.82 -4.31 117.00 114.60 2ksy n LEU 78 Ca -0.03 0.38 -0.22 0.00 -0.03 0.00 0.00 56.01 56.11 2ksy n LEU 78 Cb 0.16 0.14 -0.13 0.00 -2.33 0.00 0.00 43.42 41.26 2ksy n LEU 78 CO 0.33 0.28 -0.79 0.35 -1.33 0.00 0.00 177.39 176.23 2ksy n THR 79 N -2.95 1.68 -0.24 -5.08 -2.24 0.65 -4.30 114.28 101.80 2ksy n THR 79 Ca -0.14 -0.45 0.03 0.00 -2.27 0.00 0.00 64.05 61.22 2ksy n THR 79 Cb 0.96 -1.81 0.15 0.00 -2.10 0.00 0.00 70.33 67.53 2ksy n THR 79 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2ksy h THR 80 N -0.30 0.70 0.00 4.28 1.35 -0.70 0.07 112.91 118.31 2ksy h THR 80 Ca -0.43 -0.14 -0.01 0.00 -0.55 0.00 0.00 66.41 65.28 2ksy h THR 80 Cb 1.79 0.24 -0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2ksy h THR 80 CO -0.04 0.08 -0.05 1.55 -0.25 0.00 0.00 175.52 176.82 2ksy h PRO 81 N 0.42 0.00 0.04 4.72 0.13 -1.77 -2.55 132.00 132.99 2ksy h PRO 81 Ca 0.37 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.30 2ksy h PRO 81 Cb 0.52 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.67 2ksy h PRO 81 CO -0.37 0.05 -0.80 -0.07 -0.23 0.00 0.00 178.00 176.58 2ksy h LEU 82 N 0.00 0.63 0.33 1.56 4.07 -1.18 -2.34 115.31 118.38 2ksy h LEU 82 Ca -0.00 -0.80 -0.02 0.00 0.08 0.00 0.00 57.88 57.15 2ksy h LEU 82 Cb 0.18 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.73 2ksy h LEU 82 CO 0.01 1.36 -0.16 0.40 -1.08 0.00 0.00 178.44 178.96 2ksy h ILE 83 N -0.01 0.70 -0.70 1.22 1.08 -1.06 -1.05 117.51 117.69 2ksy h ILE 83 Ca -0.11 -0.30 0.01 0.00 -0.39 0.00 0.00 64.86 64.06 2ksy h ILE 83 Cb 1.52 0.86 -0.03 0.00 -3.07 0.00 0.00 36.82 36.09 2ksy h ILE 83 CO 0.16 0.06 0.46 -0.37 -0.69 0.00 0.00 178.15 177.77 2ksy h VAL 84 N -0.61 1.18 -0.22 1.67 -1.51 -1.61 -0.49 116.25 114.66 2ksy h VAL 84 Ca -0.05 -0.33 -0.04 0.00 -1.23 0.00 0.00 66.70 65.05 2ksy h VAL 84 Cb 0.44 0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.74 2ksy h VAL 84 CO 0.07 0.18 -0.04 0.22 -1.23 0.00 0.00 177.57 176.77 2ksy h TYR 85 N 0.95 0.35 0.18 5.19 3.20 -1.22 -1.40 116.97 124.22 2ksy h TYR 85 Ca 0.26 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 2ksy h TYR 85 Cb -0.11 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.06 2ksy h TYR 85 CO 0.00 0.39 -0.09 0.35 -1.64 0.00 0.00 178.16 177.18 2ksy h PHE 86 N 0.33 -0.22 -0.17 -3.82 3.04 0.27 -0.18 116.94 116.18 2ksy h PHE 86 Ca 0.07 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 2ksy h PHE 86 Cb 0.29 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 2ksy h PHE 86 CO 0.01 -0.07 0.06 -0.07 -2.02 0.00 0.00 178.31 176.21 2ksy h LEU 87 N -0.32 0.21 -0.98 0.59 4.07 -1.18 -0.90 115.31 116.80 2ksy h LEU 87 Ca -0.02 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 57.83 2ksy h LEU 87 Cb 0.25 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 2ksy h LEU 87 CO 0.04 0.21 -0.44 1.23 -1.08 0.00 0.00 178.44 178.40 2ksy h GLY 88 N 0.37 0.00 1.60 0.83 0.00 -0.70 -2.92 103.07 102.25 2ksy h GLY 88 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.21 2ksy h GLY 88 CO -0.01 0.00 -0.70 1.41 0.00 0.00 0.00 176.54 177.24 2ksy h LEU 89 N 0.00 0.46 -0.93 3.11 3.38 0.37 0.54 115.31 122.25 2ksy h LEU 89 Ca -0.00 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 2ksy h LEU 89 Cb 0.89 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2ksy h LEU 89 CO 0.06 1.02 -0.16 -0.07 0.09 0.00 0.00 178.44 179.38 2ksy h LEU 90 N 0.27 0.60 0.04 1.67 3.38 -1.28 -3.14 115.31 116.86 2ksy h LEU 90 Ca -0.02 -0.18 -0.29 0.00 0.09 0.00 0.00 57.88 57.47 2ksy h LEU 90 Cb 1.26 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 2ksy h LEU 90 CO 0.12 0.78 -1.63 0.00 0.09 0.00 0.00 178.44 177.80 2ksy h ALA 91 N 1.28 0.59 -2.16 1.53 0.00 -1.48 -3.44 119.26 115.59 2ksy h ALA 91 Ca 0.09 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 53.67 2ksy h ALA 91 Cb 0.59 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2ksy h ALA 91 CO 0.04 1.44 0.00 0.41 0.00 0.00 0.00 179.25 181.13 2ksy n GLY 92 N 1.61 0.69 3.69 0.00 0.00 0.16 -4.40 105.19 106.94 2ksy n GLY 92 Ca -0.17 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.16 1.90 0.66 0.99 1.43 -1.05 -5.05 118.68 115.40 2ksy s LEU 93 Ca 0.00 1.35 -0.06 0.00 -1.03 0.00 0.00 54.13 54.39 2ksy s LEU 93 Cb 0.00 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.62 2ksy s LEU 93 CO 0.00 -2.93 0.96 -0.62 0.23 0.00 0.00 176.35 173.99 2ksy s ASP 94 N -3.40 5.10 0.44 2.29 2.15 -1.26 -4.87 116.67 117.11 2ksy s ASP 94 Ca 0.64 0.51 0.13 0.00 0.43 0.00 0.00 52.55 54.27 2ksy s ASP 94 Cb -0.18 -1.29 1.03 0.00 -0.30 0.00 0.00 42.92 42.18 2ksy s ASP 94 CO 0.57 -1.40 2.02 0.77 -0.17 0.00 0.00 175.17 176.97 2ksy h SER 95 N -0.42 0.33 0.11 -0.34 4.64 -1.99 -1.20 113.55 114.67 2ksy h SER 95 Ca -0.45 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 2ksy h SER 95 Cb 1.30 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2ksy h SER 95 CO 0.60 0.22 -0.05 0.03 -0.87 0.00 0.00 176.83 176.75 2ksy h ARG 96 N 0.38 -0.14 -0.86 4.77 3.08 -2.00 -2.89 114.38 116.73 2ksy h ARG 96 Ca 0.21 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.39 2ksy h ARG 96 Cb 0.35 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.35 2ksy h ARG 96 CO -0.05 0.36 0.48 0.93 -1.07 0.00 0.00 179.97 180.61 2ksy h GLU 97 N -0.84 0.72 -0.32 0.04 5.08 -1.87 -1.35 114.58 116.04 2ksy h GLU 97 Ca -0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2ksy h GLU 97 Cb 0.56 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2ksy h GLU 97 CO 0.02 0.48 0.21 0.74 -1.00 0.00 0.00 179.01 179.46 2ksy h PHE 98 N 0.74 0.40 -0.11 4.33 0.04 -1.30 -2.01 116.94 119.02 2ksy h PHE 98 Ca 0.44 0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.25 2ksy h PHE 98 Cb 0.51 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 2ksy h PHE 98 CO -0.07 0.25 0.08 0.78 -0.60 0.00 0.00 178.31 178.76 2ksy h GLY 99 N 0.43 0.00 0.98 -1.45 0.00 -1.04 -1.07 103.07 100.92 2ksy h GLY 99 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.28 2ksy h GLY 99 CO -0.03 0.00 -0.60 -2.22 0.00 0.00 0.00 176.54 173.69 2ksy h ILE 100 N 0.00 1.34 -0.28 2.60 2.04 -0.79 -1.45 117.51 120.96 2ksy h ILE 100 Ca 0.05 -1.88 -0.09 0.00 1.00 0.00 0.00 64.86 63.94 2ksy h ILE 100 Cb 0.22 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 2ksy h ILE 100 CO -0.00 0.58 -0.16 0.58 0.00 0.00 0.00 178.15 179.15 2ksy h VAL 101 N 0.26 1.30 -0.17 1.67 2.07 -0.88 -2.53 116.25 117.97 2ksy h VAL 101 Ca -0.04 -1.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.16 2ksy h VAL 101 Cb 1.24 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2ksy h VAL 101 CO 0.12 0.40 -0.09 0.40 0.02 0.00 0.00 177.57 178.43 2ksy h ILE 102 N 0.35 1.31 -0.65 4.57 1.08 -1.30 -2.73 117.51 120.14 2ksy h ILE 102 Ca 0.06 -1.16 0.04 0.00 -0.39 0.00 0.00 64.86 63.42 2ksy h ILE 102 Cb 0.69 1.71 -0.04 0.00 -3.07 0.00 0.00 36.82 36.11 2ksy h ILE 102 CO 0.05 0.34 0.43 0.00 -0.69 0.00 0.00 178.15 178.28 2ksy h THR 103 N 0.04 1.06 -0.33 -0.27 1.03 -1.31 -1.52 112.91 111.61 2ksy h THR 103 Ca 0.04 -0.25 -0.02 0.00 -0.01 0.00 0.00 66.41 66.17 2ksy h THR 103 Cb 0.58 0.26 -0.01 0.00 -1.07 0.00 0.00 68.15 67.90 2ksy h THR 103 CO 0.03 0.13 0.15 0.25 -0.01 0.00 0.00 175.52 176.07 2ksy h LEU 104 N 0.74 0.45 -2.11 0.00 5.85 -1.34 -1.99 115.31 116.90 2ksy h LEU 104 Ca 0.27 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 2ksy h LEU 104 Cb 0.14 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 2ksy h LEU 104 CO -0.08 0.47 -0.07 0.78 -0.34 0.00 0.00 178.44 179.20 2ksy h ASN 105 N 0.40 0.00 0.12 1.25 -0.26 -1.00 -1.34 115.58 114.75 2ksy h ASN 105 Ca 0.11 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.85 2ksy h ASN 105 Cb 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 2ksy h ASN 105 CO -0.01 0.07 -0.06 0.74 -1.06 0.00 0.00 177.43 177.11 2ksy h THR 106 N 0.00 1.06 -0.34 2.81 2.02 -0.58 -1.91 112.91 115.98 2ksy h THR 106 Ca -0.00 -0.89 -0.16 0.00 0.77 0.00 0.00 66.41 66.13 2ksy h THR 106 Cb 0.19 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2ksy h THR 106 CO 0.01 0.21 -0.41 1.62 0.37 0.00 0.00 175.52 177.31 2ksy h VAL 107 N -0.59 1.28 0.75 3.16 3.04 -1.27 -2.24 116.25 120.38 2ksy h VAL 107 Ca -0.02 -1.59 -0.04 0.00 -1.01 0.00 0.00 66.70 64.05 2ksy h VAL 107 Cb 0.46 1.49 0.01 0.00 -2.01 0.00 0.00 31.29 31.25 2ksy h VAL 107 CO 0.03 0.52 -0.36 0.58 -1.01 0.00 0.00 177.57 177.33 2ksy h VAL 108 N 0.67 0.17 -0.37 1.51 2.07 -1.33 -1.50 116.25 117.47 2ksy h VAL 108 Ca 0.04 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.45 2ksy h VAL 108 Cb 1.01 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2ksy h VAL 108 CO 0.10 0.01 0.25 0.24 0.02 0.00 0.00 177.57 178.19 2ksy h MET 109 N -1.14 0.30 -0.28 1.57 2.86 -1.44 -0.13 114.93 116.68 2ksy h MET 109 Ca -0.10 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.42 2ksy h MET 109 Cb 0.79 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 2ksy h MET 109 CO 0.17 0.20 -0.27 1.25 1.06 0.00 0.00 176.91 179.32 2ksy h LEU 110 N 0.31 0.55 -0.09 1.22 5.85 -1.24 -2.48 115.31 119.44 2ksy h LEU 110 Ca 0.16 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 2ksy h LEU 110 Cb 0.24 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 2ksy h LEU 110 CO -0.03 0.80 0.05 0.00 -0.34 0.00 0.00 178.44 178.92 2ksy h ALA 111 N 1.24 0.11 -0.40 1.25 0.00 0.06 -2.28 119.26 119.24 2ksy h ALA 111 Ca 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2ksy h ALA 111 Cb 0.71 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2ksy h ALA 111 CO 0.05 -0.38 0.26 0.78 0.00 0.00 0.00 179.25 179.97 2ksy h GLY 112 N 0.08 0.55 0.24 0.00 0.00 -1.35 0.16 103.07 102.75 2ksy h GLY 112 Ca 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2ksy h GLY 112 CO -0.01 0.19 -0.26 -2.75 0.00 0.00 0.00 176.54 173.72 2ksy h PHE 113 N 0.52 -0.71 -0.03 5.60 3.04 -0.94 -2.58 116.94 121.83 2ksy h PHE 113 Ca 0.15 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.04 2ksy h PHE 113 Cb -0.03 0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 2ksy h PHE 113 CO -0.00 -0.34 -0.31 0.00 -2.02 0.00 0.00 178.31 175.65 2ksy h ALA 114 N -1.31 1.43 -0.33 2.41 0.00 -1.36 -3.06 119.26 117.05 2ksy h ALA 114 Ca -0.03 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.66 2ksy h ALA 114 Cb 0.44 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 2ksy h ALA 114 CO -0.04 0.42 -0.14 0.78 0.00 0.00 0.00 179.25 180.26 2ksy h GLY 115 N 0.97 0.12 2.00 0.00 0.00 -0.43 0.24 103.07 105.97 2ksy h GLY 115 Ca 0.01 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2ksy h GLY 115 CO 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 176.54 176.42 2ksy h ALA 116 N 1.18 1.00 -0.43 3.60 0.00 -1.44 -3.13 119.26 120.03 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 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2ksy h ALA 116 CO -0.39 0.00 0.00 -0.12 0.00 0.00 0.00 179.25 178.74 2ksy n MET 117 N -2.37 3.51 -1.94 0.00 0.00 -0.35 -4.91 117.12 111.06 2ksy n MET 117 Ca 0.05 -2.79 -0.37 0.00 0.00 0.00 0.00 57.70 54.59 2ksy n MET 117 Cb 0.40 -1.85 0.04 0.00 0.00 0.00 0.00 33.22 31.81 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 -2.27 2.45 -1.95 1.12 -7.23 0.70 -4.92 120.40 108.31 2ksy s VAL 118 Ca 0.44 0.30 0.30 0.00 -1.81 0.00 0.00 61.98 61.21 2ksy s VAL 118 Cb 0.32 -3.13 0.71 0.00 0.56 0.00 0.00 36.38 34.83 2ksy s VAL 118 CO 0.15 -0.04 2.05 -0.81 -0.31 0.00 0.00 175.10 176.15 2ksy n PRO 119 N -1.35 0.98 0.00 4.82 -0.04 -1.26 -4.90 135.00 133.26 2ksy n PRO 119 Ca 0.12 -0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 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 1.12 2.60 1.03 0.55 0.00 -1.26 -5.01 105.19 104.21 2ksy n GLY 120 Ca 0.20 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.43 2ksy n GLY 120 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ksy n ILE 121 N 0.00 1.44 0.25 -0.61 -6.64 -1.26 -4.52 119.36 108.02 2ksy n ILE 121 Ca 0.00 -1.20 0.17 0.00 -1.77 0.00 0.00 62.75 59.95 2ksy n ILE 121 Cb 0.00 0.28 0.92 0.00 -1.44 0.00 0.00 39.64 39.39 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 2.84 0.00 -0.93 6.28 5.08 -1.93 -2.66 114.58 123.26 2ksy h GLU 122 Ca 0.00 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 58.63 2ksy h GLU 122 Cb 1.08 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 2ksy h GLU 122 CO 0.10 0.00 0.69 0.07 -1.00 0.00 0.00 179.01 178.86 2ksy h ARG 123 N 0.00 0.00 -0.16 2.33 0.11 -1.80 0.26 114.38 115.12 2ksy h ARG 123 Ca 0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 2ksy h ARG 123 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 2ksy h ARG 123 CO 0.00 0.00 -0.31 1.88 0.10 0.00 0.00 179.97 181.64 2ksy h TYR 124 N 0.00 0.35 -0.03 4.08 0.05 -1.81 -2.74 116.97 116.88 2ksy h TYR 124 Ca 0.44 -0.08 -0.03 0.00 0.05 0.00 0.00 58.73 59.11 2ksy h TYR 124 Cb 1.81 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 39.46 2ksy h TYR 124 CO 0.00 0.60 -0.10 0.00 -1.05 0.00 0.00 178.16 177.61 2ksy h ALA 125 N 1.40 0.06 0.15 3.88 0.00 -0.72 -1.32 119.26 122.70 2ksy h ALA 125 Ca 0.04 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.62 2ksy h ALA 125 Cb 0.69 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2ksy h ALA 125 CO 0.05 -0.06 -0.32 -0.07 0.00 0.00 0.00 179.25 178.85 2ksy h LEU 126 N -0.44 -0.91 -0.76 0.00 -0.00 -1.48 -2.55 115.31 109.17 2ksy h LEU 126 Ca -0.00 0.10 -0.08 0.00 -0.00 0.00 0.00 57.88 57.90 2ksy h LEU 126 Cb 0.72 0.34 -0.03 0.00 -0.00 0.00 0.00 40.66 41.69 2ksy h LEU 126 CO 0.02 -0.41 0.10 0.15 -0.00 0.00 0.00 178.44 178.30 2ksy h PHE 127 N -0.56 1.11 -0.82 1.13 3.57 -1.59 -2.57 116.94 117.20 2ksy h PHE 127 Ca 0.02 -0.15 0.20 0.00 3.53 0.00 0.00 57.97 61.58 2ksy h PHE 127 Cb 0.58 -0.31 -0.13 0.00 2.79 0.00 0.00 35.95 38.88 2ksy h PHE 127 CO -0.27 0.93 0.15 0.78 -2.23 0.00 0.00 178.31 177.67 2ksy h GLY 128 N 1.04 1.14 1.11 2.40 0.00 -0.83 0.93 103.07 108.85 2ksy h GLY 128 Ca 0.20 0.01 -0.14 0.00 0.00 0.00 0.00 47.33 47.39 2ksy h GLY 128 CO 0.01 -0.31 -0.28 1.98 0.00 0.00 0.00 176.54 177.94 2ksy h MET 129 N 0.19 0.97 0.00 4.80 1.85 -1.26 -2.75 114.93 118.73 2ksy h MET 129 Ca 0.48 -0.45 -0.01 0.00 -0.61 0.00 0.00 59.70 59.11 2ksy h MET 129 Cb 0.91 -0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.93 2ksy h MET 129 CO -0.63 1.12 -0.05 0.78 -0.40 0.00 0.00 176.91 177.73 2ksy h GLY 130 N 0.81 0.00 0.23 1.39 0.00 0.13 -0.64 103.07 104.98 2ksy h GLY 130 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 2ksy h GLY 130 CO 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.57 2ksy h ALA 131 N 1.95 -0.13 -0.79 3.60 0.00 0.92 0.32 119.26 125.14 2ksy h ALA 131 Ca -0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2ksy h ALA 131 Cb 0.47 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2ksy h ALA 131 CO 0.01 -0.18 0.34 0.28 0.00 0.00 0.00 179.25 179.69 2ksy h VAL 132 N -0.90 1.26 -0.12 0.00 2.07 -1.48 -1.71 116.25 115.37 2ksy h VAL 132 Ca -0.01 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.65 2ksy h VAL 132 Cb 0.55 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2ksy h VAL 132 CO 0.02 0.32 -0.28 0.00 0.02 0.00 0.00 177.57 177.65 2ksy h ALA 133 N 1.18 1.30 0.32 1.67 0.00 -1.19 -2.64 119.26 119.90 2ksy h ALA 133 Ca 0.26 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ksy h ALA 133 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2ksy h ALA 133 CO -0.03 0.48 -0.30 0.35 0.00 0.00 0.00 179.25 179.75 2ksy h PHE 134 N 0.19 -0.81 -0.51 0.00 3.57 0.58 -1.10 116.94 118.87 2ksy h PHE 134 Ca 0.03 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.62 2ksy h PHE 134 Cb 0.61 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 2ksy h PHE 134 CO 0.01 -0.44 0.34 0.82 -2.23 0.00 0.00 178.31 176.82 2ksy h ILE 135 N -0.64 0.90 -0.79 1.41 2.04 -1.36 1.00 117.51 120.06 2ksy h ILE 135 Ca -0.02 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.75 2ksy h ILE 135 Cb 0.58 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 2ksy h ILE 135 CO -0.05 0.06 0.52 1.23 0.00 0.00 0.00 178.15 179.91 2ksy h GLY 136 N 0.31 1.11 0.44 5.37 0.00 -0.86 0.15 103.07 109.59 2ksy h GLY 136 Ca 0.23 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2ksy h GLY 136 CO -0.05 0.40 -0.01 -2.00 0.00 0.00 0.00 176.54 174.88 2ksy h LEU 137 N 1.07 -0.01 -1.94 3.11 5.85 -0.02 -2.50 115.31 120.87 2ksy h LEU 137 Ca 0.29 -0.54 0.06 0.00 0.84 0.00 0.00 57.88 58.53 2ksy h LEU 137 Cb -0.11 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2ksy h LEU 137 CO -0.06 0.54 0.19 -0.37 -0.34 0.00 0.00 178.44 178.39 2ksy h VAL 138 N -0.57 0.90 -0.77 1.05 -1.51 -1.13 0.22 116.25 114.44 2ksy h VAL 138 Ca -0.00 -0.03 -0.05 0.00 -1.23 0.00 0.00 66.70 65.39 2ksy h VAL 138 Cb 0.55 0.82 -0.03 0.00 -2.13 0.00 0.00 31.29 30.50 2ksy h VAL 138 CO 0.00 0.01 0.28 0.22 -1.23 0.00 0.00 177.57 176.86 2ksy h TYR 139 N 0.08 1.20 -0.13 5.19 3.20 -0.56 -1.77 116.97 124.17 2ksy h TYR 139 Ca 0.12 -0.10 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 2ksy h TYR 139 Cb 0.40 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2ksy h TYR 139 CO -0.00 0.92 -0.19 1.88 -1.64 0.00 0.00 178.16 179.13 2ksy h TYR 140 N 1.13 0.24 -0.46 -3.82 0.05 -0.14 0.60 116.97 114.57 2ksy h TYR 140 Ca 0.25 -0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.93 2ksy h TYR 140 Cb 0.25 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 2ksy h TYR 140 CO 0.02 0.41 0.00 -0.07 -1.05 0.00 0.00 178.16 177.47 2ksy h LEU 141 N 0.21 0.73 -1.74 3.88 3.38 -0.54 -2.26 115.31 118.96 2ksy h LEU 141 Ca 0.04 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2ksy h LEU 141 Cb 0.47 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2ksy h LEU 141 CO 0.03 0.80 0.00 1.33 0.09 0.00 0.00 178.44 180.69 2ksy n VAL 142 N -4.22 0.01 0.00 1.22 0.24 -0.90 -4.09 118.33 110.58 2ksy n VAL 142 Ca 0.02 -0.45 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 2ksy n VAL 142 Cb 0.29 1.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 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 1.32 0.91 0.32 7.63 0.00 0.21 -4.60 105.19 110.98 2ksy n GLY 143 Ca 0.15 -0.74 0.17 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.00 1.61 0.13 -1.86 -1.03 132.00 130.84 2ksy h PRO 144 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2ksy h PRO 144 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2ksy h PRO 144 CO 0.00 0.00 0.00 0.52 -0.23 0.00 0.00 178.00 178.29 2ksy h MET 145 N 0.00 0.00 0.04 0.86 2.86 -1.83 -0.12 114.93 116.74 2ksy h MET 145 Ca 0.04 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2ksy h MET 145 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2ksy h MET 145 CO -0.00 0.00 -0.02 1.15 1.06 0.00 0.00 176.91 179.10 2ksy h THR 146 N 0.00 1.37 0.00 2.22 2.02 -1.33 -2.74 112.91 114.44 2ksy h THR 146 Ca 0.00 -1.51 -0.15 0.00 0.77 0.00 0.00 66.41 65.53 2ksy h THR 146 Cb 0.01 2.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 2ksy h THR 146 CO -0.00 0.37 -0.69 -0.33 0.37 0.00 0.00 175.52 175.24 2ksy h GLU 147 N -0.74 0.00 -0.06 6.66 5.08 -1.62 -2.21 114.58 121.68 2ksy h GLU 147 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2ksy h GLU 147 Cb 0.65 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 2ksy h GLU 147 CO 0.01 0.69 -0.09 1.03 -1.00 0.00 0.00 179.01 179.65 2ksy h SER 148 N 0.00 0.19 -0.04 1.42 0.87 -1.13 -2.86 113.55 112.01 2ksy h SER 148 Ca -0.01 -0.53 -0.13 0.00 -1.23 0.00 0.00 61.79 59.90 2ksy h SER 148 Cb 1.33 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 63.24 2ksy h SER 148 CO 0.09 0.68 -0.48 0.00 -0.53 0.00 0.00 176.83 176.59 2ksy h ALA 149 N 0.52 0.11 0.00 6.23 0.00 -1.57 -2.39 119.26 122.16 2ksy h ALA 149 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2ksy h ALA 149 Cb 0.64 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ksy h ALA 149 CO 0.02 0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.44 2ksy n SER 150 N -4.29 0.23 -0.27 0.00 3.41 -0.83 -1.52 113.62 110.34 2ksy n SER 150 Ca -0.09 0.59 0.07 0.00 -0.26 0.00 0.00 58.87 59.18 2ksy n SER 150 Cb 0.60 -0.63 0.12 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.79 1.04 -0.11 4.33 6.02 -1.08 -4.76 117.38 121.04 2ksy n GLN 151 Ca 0.01 -2.37 -0.21 0.00 -0.01 0.00 0.00 57.00 54.41 2ksy n GLN 151 Cb 0.08 -1.28 -0.10 0.00 1.02 0.00 0.00 30.24 29.96 2ksy n GLN 151 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2ksy n ARG 152 N -1.06 0.56 -3.81 -1.09 3.00 -0.58 -4.99 116.66 108.68 2ksy n ARG 152 Ca 0.13 0.51 -0.08 0.00 -0.00 0.00 0.00 57.85 58.40 2ksy n ARG 152 Cb 0.68 -1.69 -0.03 0.00 0.00 0.00 0.00 32.46 31.42 2ksy n ARG 152 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2ksy s SER 153 N -6.82 -0.26 0.24 6.15 0.15 -1.26 -5.01 113.70 106.89 2ksy s SER 153 Ca -0.29 -0.58 -0.02 0.00 0.70 0.00 0.00 55.95 55.76 2ksy s SER 153 Cb 0.07 0.65 0.27 0.00 -1.71 0.00 0.00 66.02 65.31 2ksy s SER 153 CO 0.53 -1.20 1.66 -1.28 1.20 0.00 0.00 173.24 174.15 2ksy h SER 154 N 2.09 0.66 0.31 5.45 0.87 -1.94 -3.13 113.55 117.88 2ksy h SER 154 Ca -0.24 -0.23 -0.25 0.00 -1.23 0.00 0.00 61.79 59.83 2ksy h SER 154 Cb 1.26 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 63.05 2ksy h SER 154 CO 0.30 0.88 -1.06 1.23 -0.53 0.00 0.00 176.83 177.65 2ksy h GLY 155 N 0.99 0.51 0.39 5.77 0.00 -1.97 -3.27 103.07 105.50 2ksy h GLY 155 Ca 0.08 -0.99 0.18 0.00 0.00 0.00 0.00 47.33 46.60 2ksy h GLY 155 CO 0.05 0.87 0.58 -2.22 0.00 0.00 0.00 176.54 175.83 2ksy h ILE 156 N 0.23 0.75 -0.34 2.60 1.08 -1.86 -1.75 117.51 118.21 2ksy h ILE 156 Ca -0.12 -0.19 0.06 0.00 -0.39 0.00 0.00 64.86 64.23 2ksy h ILE 156 Cb 1.72 0.15 -0.06 0.00 -3.07 0.00 0.00 36.82 35.57 2ksy h ILE 156 CO 0.19 0.10 -0.01 0.50 -0.69 0.00 0.00 178.15 178.24 2ksy h LYS 157 N 0.55 0.08 -0.12 2.37 3.64 -1.60 0.46 116.57 121.95 2ksy h LYS 157 Ca 0.47 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.83 2ksy h LYS 157 Cb 0.95 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 2ksy h LYS 157 CO -0.21 0.05 0.04 1.03 -2.27 0.00 0.00 179.45 178.10 2ksy h SER 158 N 0.08 0.17 0.42 4.20 0.87 -1.49 -0.88 113.55 116.92 2ksy h SER 158 Ca 0.17 -0.20 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 2ksy h SER 158 Cb 0.23 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2ksy h SER 158 CO -0.29 0.33 -0.31 0.25 -0.53 0.00 0.00 176.83 176.27 2ksy h LEU 159 N 0.01 0.00 -0.03 2.23 6.46 -1.30 -2.82 115.31 119.86 2ksy h LEU 159 Ca 0.04 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.75 2ksy h LEU 159 Cb 0.22 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 2ksy h LEU 159 CO -0.00 0.31 -0.18 0.22 -0.62 0.00 0.00 178.44 178.17 2ksy h TYR 160 N 0.00 0.25 -0.62 1.25 3.20 0.19 -2.65 116.97 118.58 2ksy h TYR 160 Ca -0.00 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 2ksy h TYR 160 Cb 0.61 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 2ksy h TYR 160 CO 0.00 0.83 0.29 -0.39 -1.64 0.00 0.00 178.16 177.25 2ksy h VAL 161 N -0.40 1.22 -0.01 1.81 -1.51 -1.11 0.21 116.25 116.45 2ksy h VAL 161 Ca -0.01 -0.62 -0.00 0.00 -1.23 0.00 0.00 66.70 64.83 2ksy h VAL 161 Cb 0.85 0.48 -0.00 0.00 -2.13 0.00 0.00 31.29 30.49 2ksy h VAL 161 CO 0.04 0.25 -0.01 0.03 -1.23 0.00 0.00 177.57 176.66 2ksy h ARG 162 N 0.85 0.02 -0.33 5.19 2.47 -1.60 -2.75 114.38 118.23 2ksy h ARG 162 Ca 0.21 -0.01 -0.16 0.00 -1.26 0.00 0.00 59.98 58.76 2ksy h ARG 162 Cb 0.13 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 2ksy h ARG 162 CO -0.03 0.44 -0.44 -0.07 0.56 0.00 0.00 179.97 180.44 2ksy h LEU 163 N -0.41 0.92 0.33 3.04 4.07 -1.45 -2.60 115.31 119.21 2ksy h LEU 163 Ca 0.00 -0.44 -0.01 0.00 0.08 0.00 0.00 57.88 57.51 2ksy h LEU 163 Cb 0.44 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 2ksy h LEU 163 CO 0.00 1.22 -0.23 -0.09 -1.08 0.00 0.00 178.44 178.26 2ksy h ARG 164 N 0.68 -0.53 -0.85 1.13 9.65 -0.65 -0.45 114.38 123.37 2ksy h ARG 164 Ca 0.04 0.04 0.07 0.00 -1.10 0.00 0.00 59.98 59.03 2ksy h ARG 164 Cb 1.02 0.12 -0.06 0.00 -1.39 0.00 0.00 29.97 29.67 2ksy h ARG 164 CO 0.10 -0.35 0.56 -0.91 2.80 0.00 0.00 179.97 182.16 2ksy h ASN 165 N -0.55 0.81 0.60 -3.80 -0.26 -1.53 -2.35 115.58 108.50 2ksy h ASN 165 Ca -0.03 0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.69 2ksy h ASN 165 Cb 0.47 -0.16 0.01 0.00 -1.06 0.00 0.00 38.32 37.57 2ksy h ASN 165 CO 0.01 0.51 -0.29 -0.07 -1.06 0.00 0.00 177.43 176.53 2ksy h LEU 166 N 0.91 -0.69 0.04 1.61 3.38 -1.00 -2.65 115.31 116.92 2ksy h LEU 166 Ca 0.38 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.37 2ksy h LEU 166 Cb 0.27 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 2ksy h LEU 166 CO -0.14 -0.45 -0.27 0.74 0.09 0.00 0.00 178.44 178.41 2ksy h THR 167 N -0.87 0.40 -0.89 0.22 2.02 -0.76 -2.23 112.91 110.80 2ksy h THR 167 Ca -0.08 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.24 2ksy h THR 167 Cb 0.64 0.40 -0.09 0.00 -1.74 0.00 0.00 68.15 67.36 2ksy h THR 167 CO 0.14 0.00 0.50 0.58 0.37 0.00 0.00 175.52 177.10 2ksy h VAL 168 N -0.43 0.77 0.09 3.16 2.07 -1.48 -1.70 116.25 118.72 2ksy h VAL 168 Ca 0.05 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 2ksy h VAL 168 Cb 0.50 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2ksy h VAL 168 CO -0.21 0.13 -0.04 0.58 0.02 0.00 0.00 177.57 178.05 2ksy h VAL 169 N 0.71 0.00 -0.74 2.57 2.07 -1.04 -2.44 116.25 117.39 2ksy h VAL 169 Ca 0.48 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.96 2ksy h VAL 169 Cb 0.65 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 2ksy h VAL 169 CO -0.34 0.00 0.48 0.17 0.02 0.00 0.00 177.57 177.90 2ksy h LEU 170 N -0.22 0.69 -0.65 2.57 8.10 -1.48 -1.41 115.31 122.90 2ksy h LEU 170 Ca -0.01 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.84 2ksy h LEU 170 Cb 0.09 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.15 2ksy h LEU 170 CO 0.02 0.44 -0.53 -0.50 -4.11 0.00 0.00 178.44 173.76 2ksy h TRP 171 N 0.78 0.47 0.00 0.17 4.06 -1.44 -2.53 115.95 117.46 2ksy h TRP 171 Ca 0.32 -0.16 0.00 0.00 2.06 0.00 0.00 58.89 61.10 2ksy h TRP 171 Cb 0.24 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 2ksy h TRP 171 CO -0.00 0.83 0.00 0.00 -3.56 0.00 0.00 178.44 175.71 2ksy n ALA 172 N -2.49 1.95 0.06 1.49 0.00 -0.56 -2.23 120.51 118.73 2ksy n ALA 172 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2ksy n ALA 172 Cb 0.58 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 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 0.61 -0.32 0.00 1.08 -1.17 -3.37 117.51 114.34 2ksy h ILE 173 Ca 0.00 -2.08 0.06 0.00 -0.39 0.00 0.00 64.86 62.44 2ksy h ILE 173 Cb 0.22 2.14 -0.05 0.00 -3.07 0.00 0.00 36.82 36.06 2ksy h ILE 173 CO 0.00 0.35 0.01 1.88 -0.69 0.00 0.00 178.15 179.70 2ksy h TYR 174 N 0.00 -0.01 -1.38 1.37 -1.99 -1.47 -1.25 116.97 112.24 2ksy h TYR 174 Ca -0.12 0.02 0.40 0.00 2.00 0.00 0.00 58.73 61.03 2ksy h TYR 174 Cb 1.55 0.05 -0.06 0.00 2.00 0.00 0.00 36.73 40.26 2ksy h TYR 174 CO 0.00 -0.05 0.98 -1.35 -0.00 0.00 0.00 178.16 177.74 2ksy h PRO 175 N 0.10 0.04 0.02 4.88 0.11 -1.74 0.68 132.00 136.09 2ksy h PRO 175 Ca 0.16 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.23 2ksy h PRO 175 Cb 0.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.31 2ksy h PRO 175 CO -0.26 0.02 -0.14 0.74 -0.21 0.00 0.00 178.00 178.16 2ksy h PHE 176 N 0.04 0.08 -0.69 0.65 0.04 -1.48 -2.95 116.94 112.63 2ksy h PHE 176 Ca 0.68 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 61.39 2ksy h PHE 176 Cb 2.60 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 40.72 2ksy h PHE 176 CO -0.00 1.05 0.45 0.82 -0.60 0.00 0.00 178.31 180.03 2ksy h ILE 177 N -0.90 1.18 -0.09 -0.55 1.08 -0.51 0.32 117.51 118.03 2ksy h ILE 177 Ca -0.02 -0.35 -0.12 0.00 -0.39 0.00 0.00 64.86 63.97 2ksy h ILE 177 Cb 1.10 0.17 0.01 0.00 -3.07 0.00 0.00 36.82 35.03 2ksy h ILE 177 CO 0.02 0.18 -0.43 -0.25 -0.69 0.00 0.00 178.15 176.98 2ksy h TRP 178 N 0.94 0.61 0.27 1.37 7.01 -1.21 0.15 115.95 125.10 2ksy h TRP 178 Ca 0.25 -0.27 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 2ksy h TRP 178 Cb -0.09 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 26.88 2ksy h TRP 178 CO 0.00 1.03 -0.13 1.25 -2.79 0.00 0.00 178.44 177.80 2ksy h LEU 179 N 0.01 -0.31 0.02 0.65 7.12 -1.30 -1.99 115.31 119.51 2ksy h LEU 179 Ca -0.03 -0.20 -0.00 0.00 0.13 0.00 0.00 57.88 57.78 2ksy h LEU 179 Cb 1.08 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.29 2ksy h LEU 179 CO 0.09 0.07 -0.01 -0.07 -0.13 0.00 0.00 178.44 178.39 2ksy h LEU 180 N -0.74 -0.02 -9.57 2.25 3.38 -0.50 0.29 115.31 110.40 2ksy h LEU 180 Ca -0.04 -0.41 -0.33 0.00 0.09 0.00 0.00 57.88 57.19 2ksy h LEU 180 Cb 0.50 0.01 0.19 0.00 0.09 0.00 0.00 40.66 41.44 2ksy h LEU 180 CO 0.06 0.40 -0.36 0.61 0.09 0.00 0.00 178.44 179.24 2ksy n GLY 181 N 0.04 -2.90 0.31 0.83 0.00 0.04 0.04 105.19 103.55 2ksy n GLY 181 Ca -0.08 -1.14 0.13 0.00 0.00 0.00 0.00 46.02 44.92 2ksy n GLY 181 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ksy h PRO 182 N -2.90 0.18 -0.47 1.61 0.11 -1.84 -0.02 132.00 128.68 2ksy h PRO 182 Ca -0.39 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.84 2ksy h PRO 182 Cb 1.12 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2ksy h PRO 182 CO 0.27 0.12 0.78 -1.35 -0.21 0.00 0.00 178.00 177.61 2ksy h PRO 183 N 0.19 0.00 0.00 1.05 0.11 -1.88 -3.38 132.00 128.09 2ksy h PRO 183 Ca 0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 2ksy h PRO 183 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2ksy h PRO 183 CO -0.67 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.53 2ksy n GLY 184 N -1.52 2.48 0.34 -0.55 0.00 -0.10 -4.46 105.19 101.38 2ksy n GLY 184 Ca 0.10 -0.12 0.23 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 -5.34 1.61 -1.51 -0.54 -3.48 116.25 107.00 2ksy h VAL 185 Ca 0.00 -0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.45 2ksy h VAL 185 Cb 0.00 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 30.15 2ksy h VAL 185 CO 0.00 0.00 -0.88 0.00 -1.23 0.00 0.00 177.57 175.46 2ksy n ALA 186 N -2.07 -3.20 -0.11 5.19 0.00 0.14 -4.97 120.51 115.49 2ksy n ALA 186 Ca -0.03 0.62 -0.23 0.00 0.00 0.00 0.00 53.44 53.80 2ksy n ALA 186 Cb 0.07 -1.70 -0.11 0.00 0.00 0.00 0.00 19.45 17.71 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 1.91 0.00 0.00 4.77 0.11 -4.89 117.00 119.38 2ksy n LEU 187 Ca 0.03 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2ksy n LEU 187 Cb 0.18 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 2ksy n LEU 187 CO 0.42 0.36 0.00 0.18 -1.33 0.00 0.00 177.39 177.02 2ksy n LEU 188 N -4.36 0.00 -4.87 2.23 4.77 -1.26 -5.10 117.00 108.41 2ksy n LEU 188 Ca -0.37 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.28 2ksy n LEU 188 Cb 0.74 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.77 2ksy n LEU 188 CO 0.16 -0.07 0.15 0.28 -1.33 0.00 0.00 177.39 176.59 2ksy s THR 189 N 1.63 5.00 0.46 -5.08 -1.32 -1.26 -4.71 115.64 110.35 2ksy s THR 189 Ca 0.00 0.50 0.21 0.00 -1.21 0.00 0.00 61.69 61.19 2ksy s THR 189 Cb 0.00 -3.66 0.40 0.00 -1.51 0.00 0.00 72.50 67.73 2ksy s THR 189 CO 0.00 0.15 1.89 1.55 -2.21 0.00 0.00 174.62 176.00 2ksy h PRO 190 N 3.24 0.26 -0.53 7.08 0.13 -1.99 -0.61 132.00 139.59 2ksy h PRO 190 Ca -0.48 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 2ksy h PRO 190 Cb 1.18 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2ksy h PRO 190 CO 0.68 0.17 0.24 1.79 -0.23 0.00 0.00 178.00 180.65 2ksy h THR 191 N 0.27 1.21 -0.09 1.56 1.35 -1.99 -1.06 112.91 114.15 2ksy h THR 191 Ca 0.41 -0.61 -0.06 0.00 -0.55 0.00 0.00 66.41 65.60 2ksy h THR 191 Cb 1.20 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 2ksy h THR 191 CO -0.11 0.24 -0.19 0.58 -0.25 0.00 0.00 175.52 175.78 2ksy h VAL 192 N 0.70 1.40 -0.03 6.82 2.07 -1.55 -2.37 116.25 123.29 2ksy h VAL 192 Ca 0.18 -1.49 0.02 0.00 0.82 0.00 0.00 66.70 66.23 2ksy h VAL 192 Cb 0.15 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 2ksy h VAL 192 CO -0.02 0.43 -0.11 -0.78 0.02 0.00 0.00 177.57 177.10 2ksy h ASP 193 N -0.16 -0.34 -0.60 0.57 3.58 -1.23 -2.11 116.42 116.14 2ksy h ASP 193 Ca 0.00 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 2ksy h ASP 193 Cb 0.78 0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.95 2ksy h ASP 193 CO 0.04 -0.16 0.35 0.58 -2.88 0.00 0.00 179.24 177.17 2ksy h VAL 194 N -0.18 1.18 -0.35 2.25 2.07 -1.27 -1.99 116.25 117.96 2ksy h VAL 194 Ca 0.05 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 67.17 2ksy h VAL 194 Cb 0.25 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 2ksy h VAL 194 CO -0.13 0.20 0.08 0.00 0.02 0.00 0.00 177.57 177.74 2ksy h ALA 195 N 1.53 0.38 -0.47 1.67 0.00 -0.83 0.10 119.26 121.63 2ksy h ALA 195 Ca 0.22 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 2ksy h ALA 195 Cb 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2ksy h ALA 195 CO -0.04 -0.32 -0.11 -0.07 0.00 0.00 0.00 179.25 178.71 2ksy h LEU 196 N 0.20 0.90 0.39 0.00 3.38 -1.11 -2.19 115.31 116.88 2ksy h LEU 196 Ca 0.16 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2ksy h LEU 196 Cb 0.18 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2ksy h LEU 196 CO -0.21 1.05 -0.32 0.40 0.09 0.00 0.00 178.44 179.46 2ksy h ILE 197 N 0.74 0.34 -0.86 1.22 1.08 -0.86 0.32 117.51 119.49 2ksy h ILE 197 Ca 0.12 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.77 2ksy h ILE 197 Cb 0.66 0.34 -0.06 0.00 -3.07 0.00 0.00 36.82 34.68 2ksy h ILE 197 CO 0.05 0.00 0.57 0.58 -0.69 0.00 0.00 178.15 178.65 2ksy h VAL 198 N -0.71 0.73 -0.21 1.67 2.07 -0.81 0.24 116.25 119.22 2ksy h VAL 198 Ca -0.03 -0.15 -0.15 0.00 0.82 0.00 0.00 66.70 67.18 2ksy h VAL 198 Cb 0.62 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2ksy h VAL 198 CO -0.02 0.08 -0.49 0.22 0.02 0.00 0.00 177.57 177.38 2ksy h TYR 199 N 0.44 0.71 -0.64 1.57 3.20 -0.59 -2.36 116.97 119.31 2ksy h TYR 199 Ca 0.44 -0.23 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 2ksy h TYR 199 Cb 1.02 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 2ksy h TYR 199 CO -0.00 0.95 0.14 -0.07 -1.64 0.00 0.00 178.16 177.54 2ksy h LEU 200 N 0.46 0.96 -0.53 2.82 3.38 0.30 -1.19 115.31 121.50 2ksy h LEU 200 Ca 0.02 -0.20 -0.16 0.00 0.09 0.00 0.00 57.88 57.63 2ksy h LEU 200 Cb 1.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2ksy h LEU 200 CO 0.09 0.93 -0.71 0.44 0.09 0.00 0.00 178.44 179.29 2ksy h ASP 201 N 0.96 0.22 0.37 -0.43 5.19 -1.27 -2.72 116.42 118.74 2ksy h ASP 201 Ca 0.20 -0.15 -0.14 0.00 -0.62 0.00 0.00 57.03 56.32 2ksy h ASP 201 Cb 0.36 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 2ksy h ASP 201 CO 0.00 0.86 -0.58 -0.07 -3.12 0.00 0.00 179.24 176.33 2ksy h LEU 202 N 0.13 0.25 0.10 1.55 3.38 -1.04 -3.23 115.31 116.44 2ksy h LEU 202 Ca -0.02 -0.14 -0.28 0.00 0.09 0.00 0.00 57.88 57.53 2ksy h LEU 202 Cb 1.26 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 41.95 2ksy h LEU 202 CO 0.11 0.78 -1.24 1.62 0.09 0.00 0.00 178.44 179.79 2ksy h VAL 203 N 0.17 1.40 0.00 1.22 3.04 -1.20 -1.91 116.25 118.96 2ksy h VAL 203 Ca -0.00 -2.77 0.00 0.00 -1.01 0.00 0.00 66.70 62.92 2ksy h VAL 203 Cb 1.07 2.82 0.00 0.00 -2.01 0.00 0.00 31.29 33.18 2ksy h VAL 203 CO 0.09 0.82 0.00 0.41 -1.01 0.00 0.00 177.57 177.88 2ksy n THR 204 N -3.66 0.00 0.00 3.17 -1.04 -1.03 -0.83 114.28 110.89 2ksy n THR 204 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2ksy n THR 204 Cb 1.00 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 69.21 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 -0.63 0.00 0.31 12.58 0.31 -0.73 -2.30 118.33 127.88 2ksy n VAL 206 Ca 0.04 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.21 2ksy n VAL 206 Cb 0.02 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.86 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 -0.81 0.40 2.92 0.00 -0.85 -1.71 103.07 103.01 2ksy h GLY 207 Ca 0.00 0.30 0.08 0.00 0.00 0.00 0.00 47.33 47.71 2ksy h GLY 207 CO 0.00 -0.30 0.08 0.74 0.00 0.00 0.00 176.54 177.07 2ksy h PHE 208 N -0.92 0.13 -0.82 5.60 -1.00 -1.36 -0.70 116.94 117.87 2ksy h PHE 208 Ca -0.08 0.03 0.16 0.00 2.81 0.00 0.00 57.97 60.88 2ksy h PHE 208 Cb 0.65 0.01 -0.06 0.00 3.61 0.00 0.00 35.95 40.16 2ksy h PHE 208 CO -0.01 -0.01 0.54 0.78 -1.61 0.00 0.00 178.31 178.00 2ksy h GLY 209 N 0.21 0.88 0.60 -1.45 0.00 -1.74 2.09 103.07 103.66 2ksy h GLY 209 Ca 0.23 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 2ksy h GLY 209 CO -0.31 0.06 -0.19 0.74 0.00 0.00 0.00 176.54 176.85 2ksy h PHE 210 N 0.50 0.31 0.00 5.60 0.04 -0.19 0.11 116.94 123.30 2ksy h PHE 210 Ca 0.41 -0.12 -0.04 0.00 2.80 0.00 0.00 57.97 61.02 2ksy h PHE 210 Cb 0.86 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.95 2ksy h PHE 210 CO -0.00 0.80 -0.17 0.82 -0.60 0.00 0.00 178.31 179.16 2ksy h ILE 211 N -0.28 0.82 -0.41 -0.55 2.04 -0.52 -1.92 117.51 116.69 2ksy h ILE 211 Ca -0.01 -0.68 -0.13 0.00 1.00 0.00 0.00 64.86 65.05 2ksy h ILE 211 Cb 0.81 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2ksy h ILE 211 CO 0.04 0.17 -0.27 0.00 0.00 0.00 0.00 178.15 178.10 2ksy h ALA 212 N 1.83 0.75 0.22 1.87 0.00 0.38 -2.67 119.26 121.64 2ksy h ALA 212 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2ksy h ALA 212 Cb 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2ksy h ALA 212 CO 0.02 0.66 -0.11 -0.07 0.00 0.00 0.00 179.25 179.75 2ksy h LEU 213 N 0.74 -0.25 -0.10 0.00 3.38 -0.03 -2.05 115.31 117.00 2ksy h LEU 213 Ca 0.09 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.83 2ksy h LEU 213 Cb 0.82 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 2ksy h LEU 213 CO 0.07 0.20 -0.30 0.44 0.09 0.00 0.00 178.44 178.94 2ksy h ASP 214 N -0.79 -0.92 0.31 -0.43 3.32 -1.48 0.44 116.42 116.86 2ksy h ASP 214 Ca -0.03 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 2ksy h ASP 214 Cb 0.51 0.39 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 2ksy h ASP 214 CO 0.05 -0.35 -0.26 0.00 -1.72 0.00 0.00 179.24 176.96 2ksy h ALA 215 N 0.44 -0.57 -0.30 3.45 0.00 -1.58 -1.97 119.26 118.73 2ksy h ALA 215 Ca 0.09 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2ksy h ALA 215 Cb 0.53 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2ksy h ALA 215 CO -0.32 -0.85 0.21 0.00 0.00 0.00 0.00 179.25 178.29 2ksy h ALA 216 N 0.02 2.17 -0.63 0.00 0.00 -1.09 -0.78 119.26 118.96 2ksy h ALA 216 Ca -0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2ksy h ALA 216 Cb 0.52 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2ksy h ALA 216 CO -0.03 -0.25 0.16 0.00 0.00 0.00 0.00 179.25 179.14 2ksy h ALA 217 N 1.84 1.10 -0.02 0.00 0.00 0.62 -1.95 119.26 120.85 2ksy h ALA 217 Ca 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2ksy h ALA 217 Cb 0.45 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2ksy h ALA 217 CO -0.01 0.60 -0.06 1.15 0.00 0.00 0.00 179.25 180.93 2ksy h THR 218 N 0.94 1.49 -0.29 0.00 2.02 -0.70 -1.49 112.91 114.87 2ksy h THR 218 Ca 0.20 -1.53 0.08 0.00 0.77 0.00 0.00 66.41 65.93 2ksy h THR 218 Cb 0.32 2.47 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 2ksy h THR 218 CO -0.00 0.41 0.22 -0.07 0.37 0.00 0.00 175.52 176.45 2ksy h LEU 219 N -0.53 0.00 0.13 2.58 3.38 -1.32 -1.10 115.31 118.45 2ksy h LEU 219 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 2ksy h LEU 219 Cb 0.70 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2ksy h LEU 219 CO 0.01 0.00 -1.52 -0.09 0.09 0.00 0.00 178.44 176.93 2ksy h ARG 220 N 0.00 0.28 0.00 1.13 2.43 -1.34 -2.95 114.38 113.93 2ksy h ARG 220 Ca 0.14 -0.47 -0.02 0.00 -0.81 0.00 0.00 59.98 58.81 2ksy h ARG 220 Cb 0.58 0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2ksy h ARG 220 CO -0.00 1.15 -0.10 0.00 -1.51 0.00 0.00 179.97 179.52 2ksy h ALA 221 N 0.45 1.55 0.00 2.80 0.00 -0.12 -1.81 119.26 122.13 2ksy h ALA 221 Ca -0.24 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 2ksy h ALA 221 Cb 2.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 2ksy h ALA 221 CO 0.17 0.12 -1.32 -0.85 0.00 0.00 0.00 179.25 177.37 2ksy n GLU 222 N -4.00 0.62 -1.53 0.00 0.28 -0.86 -4.95 120.64 110.21 2ksy n GLU 222 Ca -0.02 0.10 -0.18 0.00 -0.16 0.00 0.00 57.16 56.89 2ksy n GLU 222 Cb 0.19 -1.76 -0.08 0.00 1.43 0.00 0.00 31.44 31.21 2ksy n GLU 222 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2ksy n HIS 223 N -2.67 -0.04 -1.27 -1.84 8.25 -0.68 -2.18 115.22 114.79 2ksy n HIS 223 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2ksy n HIS 223 Cb 0.66 -3.26 0.00 0.00 1.12 0.00 0.00 29.99 28.50 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 -0.25 0.70 3.31 -1.41 0.00 -1.25 -5.07 105.19 101.22 2ksy n GLY 224 Ca -0.18 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.31 1.61 0.18 1.61 2.56 -0.93 -5.03 118.70 116.39 2ksy s GLU 225 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 54.97 53.91 2ksy s GLU 225 Cb 0.00 -1.79 0.00 0.00 2.00 0.00 0.00 34.13 34.34 2ksy s GLU 225 CO 0.00 0.46 0.00 0.45 -0.56 0.00 0.00 175.26 175.61 2ksy n SER 226 N 1.75 0.01 -4.49 -1.70 2.88 -1.26 -4.96 113.62 105.85 2ksy n SER 226 Ca -0.17 0.30 -0.37 0.00 -1.33 0.00 0.00 58.87 57.30 2ksy n SER 226 Cb 0.52 0.20 -0.12 0.00 -0.75 0.00 0.00 64.21 64.07 2ksy n SER 226 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2ksy s LEU 227 N -6.32 3.67 0.00 2.46 2.96 -1.26 -4.95 118.68 115.24 2ksy s LEU 227 Ca 0.00 -0.16 0.22 0.00 -0.22 0.00 0.00 54.13 53.97 2ksy s LEU 227 Cb 0.00 -1.99 0.69 0.00 0.50 0.00 0.00 46.19 45.38 2ksy s LEU 227 CO 0.00 -0.05 1.52 0.00 -1.32 0.00 0.00 176.35 176.50 2ksy n ALA 228 N 4.97 2.50 -1.06 5.97 0.00 -1.26 -4.93 120.51 126.70 2ksy n ALA 228 Ca -0.15 -0.61 -0.05 0.00 0.00 0.00 0.00 53.44 52.62 2ksy n ALA 228 Cb 0.51 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 18.99 2ksy n ALA 228 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ksy n GLY 229 N 1.21 -2.26 3.56 0.00 0.00 -1.26 -5.10 105.19 101.35 2ksy n GLY 229 Ca 0.17 -1.51 -0.05 0.00 0.00 0.00 0.00 46.02 44.63 2ksy n GLY 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ksy s VAL 230 N -1.56 -0.42 -0.79 1.61 0.11 -1.26 -5.11 120.40 112.98 2ksy s VAL 230 Ca 0.18 0.03 -0.14 0.00 -2.93 0.00 0.00 61.98 59.12 2ksy s VAL 230 Cb -0.02 -0.92 0.21 0.00 -1.53 0.00 0.00 36.38 34.12 2ksy s VAL 230 CO 0.14 0.01 0.73 -1.81 -3.33 0.00 0.00 175.10 170.84 2ksy s ASP 231 N 2.16 6.65 0.12 3.54 1.01 -1.26 -5.03 116.67 123.86 2ksy s ASP 231 Ca -0.08 -2.59 0.08 0.00 0.71 0.00 0.00 52.55 50.67 2ksy s ASP 231 Cb -0.09 -2.20 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 2ksy s ASP 231 CO -0.18 -0.60 -0.19 0.28 0.21 0.00 0.00 175.17 174.69 2ksy s THR 232 N 0.33 1.63 0.35 -1.27 -1.32 -1.26 -5.05 115.64 109.06 2ksy s THR 232 Ca 0.16 -1.65 0.00 0.00 -1.21 0.00 0.00 61.69 58.99 2ksy s THR 232 Cb -0.13 -1.59 0.00 0.00 -1.51 0.00 0.00 72.50 69.27 2ksy s THR 232 CO -0.07 -0.20 0.00 0.47 -2.21 0.00 0.00 174.62 172.61 2ksy n ASP 233 N 0.81 -7.57 -4.74 8.08 8.00 -1.26 -4.93 116.55 114.94 2ksy n ASP 233 Ca -0.17 1.04 -0.34 0.00 0.71 0.00 0.00 54.79 56.02 2ksy n ASP 233 Cb 0.55 -3.72 0.07 0.00 -0.02 0.00 0.00 41.12 38.00 2ksy n ASP 233 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2ksy s THR 234 N -2.36 2.75 -1.95 -3.53 -4.23 -1.26 -4.89 115.64 100.18 2ksy s THR 234 Ca 0.00 0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.87 2ksy s THR 234 Cb 0.00 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.94 2ksy s THR 234 CO 0.00 -0.20 0.73 -0.81 -0.54 0.00 0.00 174.62 173.80 2ksy n PRO 235 N -2.55 0.75 -3.46 3.99 -0.04 -1.26 -4.64 135.00 127.79 2ksy n PRO 235 Ca 0.12 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.15 2ksy n PRO 235 Cb 0.51 -1.02 -0.09 0.00 -0.04 0.00 0.00 33.50 32.86 2ksy n PRO 235 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ksy s ALA 236 N -1.95 3.47 -0.19 0.55 0.00 -1.26 -5.05 121.76 117.33 2ksy s ALA 236 Ca 0.00 -1.97 -0.01 0.00 0.00 0.00 0.00 51.96 49.98 2ksy s ALA 236 Cb 0.00 -2.91 0.01 0.00 0.00 0.00 0.00 23.12 20.22 2ksy s ALA 236 CO 0.00 -1.61 -0.14 0.08 0.00 0.00 0.00 175.76 174.09 2ksy s VAL 237 N 1.61 2.63 -0.02 0.00 1.01 -1.26 -5.03 120.40 119.33 2ksy s VAL 237 Ca 0.04 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 2ksy s VAL 237 Cb -0.22 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 2ksy s VAL 237 CO 0.07 0.50 -0.00 0.00 0.00 0.00 0.00 175.10 175.66 2ksy h ALA 238 N 7.84 0.00 -2.20 5.51 0.00 -2.00 -3.47 119.26 124.95 2ksy h ALA 238 Ca -0.41 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.18 2ksy h ALA 238 Cb 1.16 0.01 -0.33 0.00 0.00 0.00 0.00 17.79 18.63 2ksy h ALA 238 CO 0.61 0.01 -0.60 0.34 0.00 0.00 0.00 179.25 179.61 2ksy s ASP 239 N -3.56 1.29 -0.05 0.00 -1.08 -1.26 -4.99 116.67 107.02 2ksy s ASP 239 Ca -0.00 -0.41 0.05 0.00 -0.52 0.00 0.00 52.55 51.66 2ksy s ASP 239 Cb 0.00 0.60 -0.07 0.00 -1.46 0.00 0.00 42.92 41.99 2ksy s ASP 239 CO 0.00 -0.35 0.03 -0.11 0.52 0.00 0.00 175.17 175.26 2ksy n LEU 240 N 5.32 0.00 -4.74 -1.34 7.94 -1.26 -5.01 117.00 117.92 2ksy n LEU 240 Ca -0.03 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.46 2ksy n LEU 240 Cb 0.48 0.12 -0.03 0.00 0.53 0.00 0.00 43.42 44.51 2ksy n LEU 240 CO 0.04 0.12 0.89 -1.61 -1.11 0.00 0.00 177.39 175.71 2ksy s GLU 241 N -2.15 4.48 0.00 1.96 0.41 -1.26 -4.87 118.70 117.27 2ksy s GLU 241 Ca -0.03 1.88 0.00 0.00 -0.41 0.00 0.00 54.97 56.41 2ksy s GLU 241 Cb 0.02 -3.24 0.00 0.00 -1.78 0.00 0.00 34.13 29.13 2ksy s GLU 241 CO 0.22 -0.10 0.00 1.58 -0.49 0.00 0.00 175.26 176.47 2ksy n HIS 242 N 2.56 0.00 -2.42 1.61 -0.00 -1.26 -5.12 115.22 110.59 2ksy n HIS 242 Ca 0.05 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.51 2ksy n HIS 242 Cb 0.45 0.26 0.14 0.00 -0.00 0.00 0.00 29.99 30.84 2ksy n HIS 242 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2ksy s HIS 243 N -1.55 1.28 0.30 1.57 3.76 -1.19 -5.11 115.29 114.35 2ksy s HIS 243 Ca 0.00 -0.21 0.07 0.00 -0.15 0.00 0.00 55.06 54.77 2ksy s HIS 243 Cb 0.00 -3.34 -0.02 0.00 1.11 0.00 0.00 32.58 30.32 2ksy s HIS 243 CO 0.00 -2.13 0.33 -1.01 -0.85 0.00 0.00 174.74 171.08 2ksy s HIS 244 N -3.41 3.11 0.00 1.40 0.09 -1.26 -4.84 115.29 110.39 2ksy s HIS 244 Ca 0.70 -0.18 0.00 0.00 -0.00 0.00 0.00 55.06 55.58 2ksy s HIS 244 Cb -0.04 -1.71 0.00 0.00 -0.00 0.00 0.00 32.58 30.83 2ksy s HIS 244 CO 0.48 0.26 0.00 0.72 -0.00 0.00 0.00 174.74 176.20 2ksy n HIS 245 N -1.40 0.00 -3.34 1.40 8.25 -1.26 -4.63 115.22 114.24 2ksy n HIS 245 Ca -0.04 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.23 2ksy n HIS 245 Cb 0.58 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.68 2ksy n HIS 245 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2ksy s HIS 246 N 0.00 2.84 0.00 4.41 0.09 -1.26 -5.19 115.29 116.18 2ksy s HIS 246 Ca 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 55.06 54.68 2ksy s HIS 246 Cb 0.00 -2.19 0.00 0.00 -0.00 0.00 0.00 32.58 30.39 2ksy s HIS 246 CO 0.00 -0.20 0.00 0.72 -0.00 0.00 0.00 174.74 175.26