#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gk9 h PRO 4 N 0.00 0.42 -0.60 -0.14 0.13 -2.06 -2.86 132.00 126.89 3gk9 h PRO 4 Ca 0.00 -0.08 0.08 0.00 -0.87 0.00 0.00 66.00 65.13 3gk9 h PRO 4 Cb 0.00 -0.06 -0.07 0.00 0.13 0.00 0.00 31.00 31.00 3gk9 h PRO 4 CO 0.00 0.47 0.24 0.93 -0.23 0.00 0.00 178.00 179.41 3gk9 h GLU 5 N 0.40 0.43 -0.60 0.86 5.08 -2.00 -2.67 114.58 116.09 3gk9 h GLU 5 Ca 0.09 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3gk9 h GLU 5 Cb 0.31 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3gk9 h GLU 5 CO 0.01 0.28 0.34 0.77 -1.00 0.00 0.00 179.01 179.42 3gk9 h SER 6 N 0.44 0.72 0.35 1.42 0.02 -1.91 -2.28 113.55 112.31 3gk9 h SER 6 Ca 0.29 -0.04 -0.17 0.00 -0.84 0.00 0.00 61.79 61.03 3gk9 h SER 6 Cb 0.33 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3gk9 h SER 6 CO -0.27 0.57 -0.71 -0.08 -1.14 0.00 0.00 176.83 175.19 3gk9 h GLU 7 N 0.82 0.32 -0.65 3.45 4.57 -1.48 -0.60 114.58 121.01 3gk9 h GLU 7 Ca 0.21 -0.26 -0.09 0.00 -1.18 0.00 0.00 59.36 58.05 3gk9 h GLU 7 Cb -0.01 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 3gk9 h GLU 7 CO -0.04 0.90 0.05 -0.07 -1.18 0.00 0.00 179.01 178.68 3gk9 h LEU 8 N 0.22 1.07 0.06 1.64 3.38 -1.17 -0.36 115.31 120.15 3gk9 h LEU 8 Ca -0.02 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 3gk9 h LEU 8 Cb 1.27 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3gk9 h LEU 8 CO 0.12 1.09 -0.03 0.40 0.09 0.00 0.00 178.44 180.11 3gk9 h ILE 9 N 1.02 1.11 -0.68 1.22 2.04 -1.35 -2.18 117.51 118.68 3gk9 h ILE 9 Ca 0.19 -0.58 0.10 0.00 1.00 0.00 0.00 64.86 65.56 3gk9 h ILE 9 Cb 0.51 1.49 -0.07 0.00 -0.74 0.00 0.00 36.82 38.01 3gk9 h ILE 9 CO 0.02 0.15 0.32 0.03 0.00 0.00 0.00 178.15 178.67 3gk9 h ARG 10 N -0.35 0.53 -0.20 2.37 3.08 -0.95 -0.60 114.38 118.26 3gk9 h ARG 10 Ca -0.01 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 59.81 3gk9 h ARG 10 Cb 0.30 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3gk9 h ARG 10 CO 0.01 0.35 -0.65 1.96 -1.07 0.00 0.00 179.97 180.57 3gk9 h GLN 11 N 0.54 0.74 -0.11 0.04 1.08 -1.05 -2.63 115.11 113.72 3gk9 h GLN 11 Ca 0.34 -0.53 -0.16 0.00 -1.45 0.00 0.00 58.65 56.85 3gk9 h GLN 11 Cb 0.39 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 3gk9 h GLN 11 CO -0.28 1.15 -0.62 0.66 -0.95 0.00 0.00 178.83 178.78 3gk9 h SER 12 N 0.54 0.46 0.26 1.46 4.64 -1.24 -3.19 113.55 116.48 3gk9 h SER 12 Ca -0.02 -0.27 -0.09 0.00 -0.47 0.00 0.00 61.79 60.95 3gk9 h SER 12 Cb 1.25 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 3gk9 h SER 12 CO 0.13 0.97 -0.35 -0.25 -0.87 0.00 0.00 176.83 176.46 3gk9 h TRP 13 N 0.30 0.16 -0.74 4.77 2.91 -1.05 -2.93 115.95 119.37 3gk9 h TRP 13 Ca -0.01 -0.04 0.09 0.00 1.13 0.00 0.00 58.89 60.07 3gk9 h TRP 13 Cb 1.16 -0.04 -0.07 0.00 -0.51 0.00 0.00 29.16 29.70 3gk9 h TRP 13 CO 0.04 0.48 0.38 0.00 -1.03 0.00 0.00 178.44 178.31 3gk9 h ARG 14 N 0.13 0.62 0.02 2.65 3.08 -1.45 0.25 114.38 119.69 3gk9 h ARG 14 Ca 0.01 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 3gk9 h ARG 14 Cb 0.69 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3gk9 h ARG 14 CO 0.05 0.41 -0.01 0.28 -1.07 0.00 0.00 179.97 179.63 3gk9 h VAL 15 N 0.64 1.01 -0.37 2.04 2.07 -1.62 -3.23 116.25 116.79 3gk9 h VAL 15 Ca 0.36 -0.09 -0.12 0.00 0.82 0.00 0.00 66.70 67.68 3gk9 h VAL 15 Cb 0.37 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3gk9 h VAL 15 CO -0.26 0.02 -0.24 0.58 0.02 0.00 0.00 177.57 177.69 3gk9 h VAL 16 N -0.07 1.28 0.00 2.57 2.07 -1.34 -3.24 116.25 117.54 3gk9 h VAL 16 Ca -0.00 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.13 3gk9 h VAL 16 Cb 0.06 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3gk9 h VAL 16 CO 0.00 0.46 0.00 -1.54 0.02 0.00 0.00 177.57 176.51 3gk9 n SER 17 N -4.23 0.01 0.14 0.57 3.41 0.84 -1.61 113.62 112.75 3gk9 n SER 17 Ca -0.02 0.50 -0.01 0.00 -0.26 0.00 0.00 58.87 59.08 3gk9 n SER 17 Cb 0.45 -0.51 0.16 0.00 -0.26 0.00 0.00 64.21 64.06 3gk9 n SER 17 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3gk9 h ARG 18 N 0.00 0.00 -2.04 4.33 3.08 -1.58 -3.36 114.38 114.82 3gk9 h ARG 18 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3gk9 h ARG 18 Cb 0.26 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.92 3gk9 h ARG 18 CO 0.00 0.62 -1.02 -1.13 -1.07 0.00 0.00 179.97 177.38 3gk9 n SER 19 N -3.74 0.81 -0.21 7.04 3.41 -0.64 -5.00 113.62 115.30 3gk9 n SER 19 Ca -0.01 -2.82 -0.06 0.00 -0.26 0.00 0.00 58.87 55.72 3gk9 n SER 19 Cb 0.63 -0.65 0.10 0.00 -0.26 0.00 0.00 64.21 64.04 3gk9 n SER 19 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3gk9 h PRO 20 N 4.04 1.03 -0.33 4.33 0.13 -1.71 -1.60 132.00 137.88 3gk9 h PRO 20 Ca 0.09 -0.24 -0.14 0.00 -0.87 0.00 0.00 66.00 64.84 3gk9 h PRO 20 Cb 0.84 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 3gk9 h PRO 20 CO 0.53 0.91 -0.35 1.25 -0.23 0.00 0.00 178.00 180.11 3gk9 h LEU 21 N 0.98 0.89 -0.53 1.56 5.85 -1.93 0.89 115.31 123.02 3gk9 h LEU 21 Ca 0.21 -0.47 0.01 0.00 0.84 0.00 0.00 57.88 58.46 3gk9 h LEU 21 Cb 0.35 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3gk9 h LEU 21 CO 0.00 1.18 0.34 -0.33 -0.34 0.00 0.00 178.44 179.29 3gk9 h GLU 22 N 0.61 0.68 -0.29 1.25 5.08 -1.91 0.91 114.58 120.90 3gk9 h GLU 22 Ca 0.05 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 3gk9 h GLU 22 Cb 0.94 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3gk9 h GLU 22 CO 0.09 0.45 -0.16 0.45 -1.00 0.00 0.00 179.01 178.83 3gk9 h HIS 23 N 0.70 0.72 -0.02 4.33 3.86 -1.16 -2.91 115.15 120.66 3gk9 h HIS 23 Ca 0.20 -0.18 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 3gk9 h HIS 23 Cb -0.06 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 3gk9 h HIS 23 CO -0.04 0.86 -0.16 0.78 0.86 0.00 0.00 177.93 180.23 3gk9 h GLY 24 N 0.36 0.04 0.98 2.45 0.00 -0.57 -1.75 103.07 104.59 3gk9 h GLY 24 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3gk9 h GLY 24 CO 0.05 0.02 0.26 -0.84 0.00 0.00 0.00 176.54 176.03 3gk9 h THR 25 N 0.04 1.16 -0.43 4.70 2.02 -0.68 -0.89 112.91 118.82 3gk9 h THR 25 Ca 0.01 -0.39 0.02 0.00 0.77 0.00 0.00 66.41 66.81 3gk9 h THR 25 Cb 0.30 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3gk9 h THR 25 CO 0.02 0.17 0.25 0.58 0.37 0.00 0.00 175.52 176.91 3gk9 h VAL 26 N 0.61 1.03 -0.14 3.16 2.07 -1.15 -0.09 116.25 121.74 3gk9 h VAL 26 Ca 0.16 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.55 3gk9 h VAL 26 Cb 0.03 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 3gk9 h VAL 26 CO -0.03 0.09 -0.09 0.25 0.02 0.00 0.00 177.57 177.82 3gk9 h LEU 27 N 0.50 -0.29 -0.62 2.57 6.46 -1.06 -0.36 115.31 122.52 3gk9 h LEU 27 Ca 0.17 0.07 -0.15 0.00 -0.12 0.00 0.00 57.88 57.85 3gk9 h LEU 27 Cb 0.02 0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 3gk9 h LEU 27 CO -0.09 -0.12 -0.61 -0.26 -0.62 0.00 0.00 178.44 176.75 3gk9 h PHE 28 N -0.08 0.36 -0.37 1.25 0.04 -1.00 0.01 116.94 117.16 3gk9 h PHE 28 Ca 0.09 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 3gk9 h PHE 28 Cb 0.21 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 3gk9 h PHE 28 CO -0.22 0.82 0.17 0.00 -0.60 0.00 0.00 178.31 178.47 3gk9 h ALA 29 N 1.15 0.47 -0.50 2.45 0.00 -0.78 -1.77 119.26 120.28 3gk9 h ALA 29 Ca -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3gk9 h ALA 29 Cb 1.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3gk9 h ALA 29 CO 0.10 0.04 0.23 -0.09 0.00 0.00 0.00 179.25 179.53 3gk9 h ARG 30 N 0.45 0.73 -0.32 0.00 9.65 -0.84 -1.88 114.38 122.18 3gk9 h ARG 30 Ca 0.12 -0.11 0.06 0.00 -1.10 0.00 0.00 59.98 58.95 3gk9 h ARG 30 Cb 0.13 -0.13 -0.06 0.00 -1.39 0.00 0.00 29.97 28.53 3gk9 h ARG 30 CO -0.01 0.62 -0.05 1.25 2.80 0.00 0.00 179.97 184.57 3gk9 h LEU 31 N 0.67 -0.24 -1.09 3.80 5.85 -0.67 -1.18 115.31 122.45 3gk9 h LEU 31 Ca 0.17 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.90 3gk9 h LEU 31 Cb 0.14 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3gk9 h LEU 31 CO -0.02 -0.08 -0.39 -0.26 -0.34 0.00 0.00 178.44 177.35 3gk9 h PHE 32 N 0.03 0.00 -0.32 1.25 0.04 -1.27 0.20 116.94 116.87 3gk9 h PHE 32 Ca 0.15 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.80 3gk9 h PHE 32 Cb 0.23 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 3gk9 h PHE 32 CO -0.28 0.39 -0.30 0.00 -0.60 0.00 0.00 178.31 177.52 3gk9 h ALA 33 N 1.61 0.89 0.23 2.45 0.00 -0.84 -2.73 119.26 120.86 3gk9 h ALA 33 Ca -0.00 -0.39 -0.32 0.00 0.00 0.00 0.00 54.91 54.19 3gk9 h ALA 33 Cb 0.82 -0.13 0.03 0.00 0.00 0.00 0.00 17.79 18.51 3gk9 h ALA 33 CO 0.05 0.63 -1.43 -0.07 0.00 0.00 0.00 179.25 178.43 3gk9 h LEU 34 N 0.57 0.76 -6.28 0.00 3.38 -0.91 -3.42 115.31 109.42 3gk9 h LEU 34 Ca 0.07 -0.81 -0.58 0.00 0.09 0.00 0.00 57.88 56.64 3gk9 h LEU 34 Cb 0.79 -0.25 -0.39 0.00 0.09 0.00 0.00 40.66 40.91 3gk9 h LEU 34 CO 0.07 1.64 -0.96 1.21 0.09 0.00 0.00 178.44 180.48 3gk9 n GLU 35 N -3.68 0.70 -0.08 1.13 2.13 0.67 -4.98 120.64 116.53 3gk9 n GLU 35 Ca -0.15 -3.42 0.25 0.00 0.66 0.00 0.00 57.16 54.49 3gk9 n GLU 35 Cb 1.09 -1.60 0.72 0.00 0.27 0.00 0.00 31.44 31.91 3gk9 n GLU 35 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 3gk9 h PRO 36 N 4.90 0.00 0.00 5.31 0.11 -1.70 -2.34 132.00 138.28 3gk9 h PRO 36 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3gk9 h PRO 36 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3gk9 h PRO 36 CO 0.47 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.13 3gk9 n SER 37 N -4.17 0.00 0.21 -2.05 3.41 -1.26 -1.64 113.62 108.11 3gk9 n SER 37 Ca 0.14 0.35 0.10 0.00 -0.26 0.00 0.00 58.87 59.19 3gk9 n SER 37 Cb 0.80 -0.42 0.26 0.00 -0.26 0.00 0.00 64.21 64.59 3gk9 n SER 37 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3gk9 h LEU 38 N 0.00 0.00 -0.49 1.04 3.38 -1.80 -3.38 115.31 114.07 3gk9 h LEU 38 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3gk9 h LEU 38 Cb 0.20 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 3gk9 h LEU 38 CO 0.00 0.18 0.08 0.25 0.09 0.00 0.00 178.44 179.04 3gk9 h LEU 39 N 0.00 -0.03 -1.29 1.67 5.85 -1.53 -2.07 115.31 117.91 3gk9 h LEU 39 Ca -0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3gk9 h LEU 39 Cb 0.99 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3gk9 h LEU 39 CO 0.02 0.01 0.00 -0.65 -0.34 0.00 0.00 178.44 177.49 3gk9 h PRO 40 N 0.22 0.00 0.00 5.25 0.11 -1.81 -2.94 132.00 132.83 3gk9 h PRO 40 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3gk9 h PRO 40 Cb 0.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.44 3gk9 h PRO 40 CO -0.33 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.39 3gk9 h LEU 41 N 0.00 0.00 -7.86 2.35 3.38 -1.63 -3.37 115.31 108.17 3gk9 h LEU 41 Ca 0.00 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.23 3gk9 h LEU 41 Cb 0.14 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.68 3gk9 h LEU 41 CO 0.00 0.00 0.64 -0.36 0.09 0.00 0.00 178.44 178.81 3gk9 s PHE 42 N -3.64 3.47 -0.98 1.13 0.08 -1.11 -4.96 117.98 111.97 3gk9 s PHE 42 Ca 0.01 -1.78 -0.02 0.00 0.12 0.00 0.00 56.93 55.26 3gk9 s PHE 42 Cb 0.09 -4.11 0.30 0.00 -0.57 0.00 0.00 43.02 38.74 3gk9 s PHE 42 CO 0.50 -1.28 1.35 0.00 -0.10 0.00 0.00 175.22 175.69 3gk9 n GLN 43 N 5.31 4.14 -2.74 0.44 10.64 -1.26 -4.47 117.38 129.43 3gk9 n GLN 43 Ca 0.22 -4.59 -0.41 0.00 -1.83 0.00 0.00 57.00 50.39 3gk9 n GLN 43 Cb 0.47 -2.45 -0.05 0.00 -0.86 0.00 0.00 30.24 27.35 3gk9 n GLN 43 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3gk9 s TYR 44 N -2.85 3.84 -1.51 2.61 2.02 -1.21 -3.17 117.35 117.09 3gk9 s TYR 44 Ca 0.34 1.82 -0.05 0.00 -0.37 0.00 0.00 57.07 58.80 3gk9 s TYR 44 Cb 0.08 -3.04 0.02 0.00 -0.40 0.00 0.00 41.96 38.62 3gk9 s TYR 44 CO 0.07 0.26 0.57 0.09 -1.57 0.00 0.00 175.55 174.96 3gk9 n ASN 45 N 2.55 -5.64 -1.40 2.29 5.03 -1.26 -2.50 115.26 114.32 3gk9 n ASN 45 Ca 0.01 -0.29 -0.17 0.00 0.87 0.00 0.00 54.58 55.00 3gk9 n ASN 45 Cb 0.49 -4.58 -0.07 0.00 -1.02 0.00 0.00 39.78 34.60 3gk9 n ASN 45 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3gk9 n GLY 46 N -1.44 1.53 3.36 7.41 0.00 -1.19 -5.00 105.19 109.86 3gk9 n GLY 46 Ca -0.10 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 3gk9 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gk9 s ARG 47 N -3.61 1.35 0.05 1.61 0.52 -1.04 -5.11 118.95 112.72 3gk9 s ARG 47 Ca 0.00 -1.29 0.01 0.00 -0.52 0.00 0.00 55.73 53.93 3gk9 s ARG 47 Cb 0.00 -1.78 -0.04 0.00 0.52 0.00 0.00 34.95 33.65 3gk9 s ARG 47 CO 0.00 0.42 0.10 1.14 0.02 0.00 0.00 175.30 176.98 3gk9 s GLN 48 N -1.98 3.05 0.17 3.54 -2.07 -1.26 -3.32 119.66 117.78 3gk9 s GLN 48 Ca 0.12 -0.57 -0.30 0.00 -1.82 0.00 0.00 55.36 52.79 3gk9 s GLN 48 Cb -0.10 -2.83 -0.08 0.00 -1.09 0.00 0.00 33.01 28.91 3gk9 s GLN 48 CO 0.05 0.60 1.16 -0.06 -1.32 0.00 0.00 175.29 175.73 3gk9 s PHE 49 N -1.34 3.48 -0.02 9.60 0.08 -1.26 -4.96 117.98 123.56 3gk9 s PHE 49 Ca 0.28 1.47 -0.23 0.00 0.12 0.00 0.00 56.93 58.57 3gk9 s PHE 49 Cb -0.12 -3.38 -0.22 0.00 -0.57 0.00 0.00 43.02 38.74 3gk9 s PHE 49 CO 0.20 -1.01 1.11 1.03 -0.10 0.00 0.00 175.22 176.45 3gk9 h SER 50 N 5.41 0.30 -3.95 1.36 0.87 -1.96 -3.43 113.55 112.14 3gk9 h SER 50 Ca -0.44 -0.70 -0.38 0.00 -1.23 0.00 0.00 61.79 59.03 3gk9 h SER 50 Cb 1.21 -0.09 -0.17 0.00 -0.44 0.00 0.00 62.40 62.92 3gk9 h SER 50 CO 0.75 0.96 -0.74 -0.94 -0.53 0.00 0.00 176.83 176.33 3gk9 s SER 51 N -6.33 1.95 0.33 6.23 1.04 -1.26 -5.05 113.70 110.61 3gk9 s SER 51 Ca -0.15 -0.90 0.05 0.00 0.48 0.00 0.00 55.95 55.43 3gk9 s SER 51 Cb 0.02 -0.05 0.69 0.00 0.10 0.00 0.00 66.02 66.78 3gk9 s SER 51 CO 0.75 -0.22 1.88 -0.65 0.98 0.00 0.00 173.24 175.98 3gk9 h PRO 52 N 3.17 0.82 0.00 4.02 0.11 -1.97 -1.30 132.00 136.84 3gk9 h PRO 52 Ca -0.38 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 3gk9 h PRO 52 Cb 1.20 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3gk9 h PRO 52 CO 0.56 0.54 -0.08 1.05 -0.21 0.00 0.00 178.00 179.87 3gk9 h GLU 53 N 0.84 0.00 -0.87 1.05 9.09 -2.01 -0.65 114.58 122.03 3gk9 h GLU 53 Ca 0.44 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.89 3gk9 h GLU 53 Cb 0.51 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.56 3gk9 h GLU 53 CO -0.20 0.08 0.57 -0.44 0.05 0.00 0.00 179.01 179.07 3gk9 h ASP 54 N 0.00 0.92 -0.42 3.06 3.32 -1.65 -2.48 116.42 119.17 3gk9 h ASP 54 Ca -0.00 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3gk9 h ASP 54 Cb 0.14 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3gk9 h ASP 54 CO 0.01 0.62 0.11 0.77 -1.72 0.00 0.00 179.24 179.03 3gk9 h SER 55 N 1.06 0.70 0.52 6.45 4.64 -1.11 -1.93 113.55 123.87 3gk9 h SER 55 Ca 0.35 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3gk9 h SER 55 Cb 0.07 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3gk9 h SER 55 CO -0.11 0.69 0.00 0.18 -0.87 0.00 0.00 176.83 176.72 3gk9 n LEU 56 N -4.28 0.40 -0.46 5.97 4.77 -0.94 -1.92 117.00 120.54 3gk9 n LEU 56 Ca 0.03 0.61 0.12 0.00 -0.03 0.00 0.00 56.01 56.75 3gk9 n LEU 56 Cb 0.22 -0.58 0.21 0.00 -2.33 0.00 0.00 43.42 40.94 3gk9 n LEU 56 CO 0.39 -0.50 0.54 -1.54 -1.33 0.00 0.00 177.39 174.95 3gk9 n SER 57 N -1.95 1.72 -4.61 -1.43 3.41 -0.73 -4.90 113.62 105.14 3gk9 n SER 57 Ca 0.02 -1.35 -0.40 0.00 -0.26 0.00 0.00 58.87 56.89 3gk9 n SER 57 Cb 0.17 0.24 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 3gk9 n SER 57 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3gk9 s SER 58 N -2.37 6.34 0.33 4.04 0.15 -0.81 -4.96 113.70 116.41 3gk9 s SER 58 Ca 0.24 0.38 0.01 0.00 0.70 0.00 0.00 55.95 57.28 3gk9 s SER 58 Cb 0.19 -2.25 0.56 0.00 -1.71 0.00 0.00 66.02 62.81 3gk9 s SER 58 CO 0.49 -0.25 1.95 1.55 1.20 0.00 0.00 173.24 178.18 3gk9 h PRO 59 N 8.12 0.82 -0.65 5.44 0.13 -1.90 -1.12 132.00 142.84 3gk9 h PRO 59 Ca -0.30 -0.09 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 3gk9 h PRO 59 Cb 1.15 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 3gk9 h PRO 59 CO 0.68 0.61 0.32 0.93 -0.23 0.00 0.00 178.00 180.32 3gk9 h GLU 60 N 0.83 0.94 -0.42 0.86 3.07 -1.94 0.12 114.58 118.03 3gk9 h GLU 60 Ca 0.21 -0.13 -0.08 0.00 -0.50 0.00 0.00 59.36 58.86 3gk9 h GLU 60 Cb 0.04 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 3gk9 h GLU 60 CO -0.03 0.74 -0.05 0.35 -1.40 0.00 0.00 179.01 178.62 3gk9 h PHE 61 N 0.90 0.86 -0.70 4.33 3.57 -1.66 -1.17 116.94 123.07 3gk9 h PHE 61 Ca 0.23 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3gk9 h PHE 61 Cb 0.10 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 3gk9 h PHE 61 CO 0.00 0.86 0.28 -0.07 -2.23 0.00 0.00 178.31 177.16 3gk9 h LEU 62 N 0.60 0.94 -1.02 0.59 3.38 -0.98 -1.61 115.31 117.22 3gk9 h LEU 62 Ca 0.11 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3gk9 h LEU 62 Cb 0.55 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 3gk9 h LEU 62 CO 0.03 0.84 0.66 0.44 0.09 0.00 0.00 178.44 180.50 3gk9 h ASP 63 N 1.01 1.11 -0.74 -0.43 3.32 -0.39 -1.48 116.42 118.82 3gk9 h ASP 63 Ca 0.24 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 3gk9 h ASP 63 Cb 0.19 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3gk9 h ASP 63 CO -0.02 0.77 0.23 -0.74 -1.72 0.00 0.00 179.24 177.76 3gk9 h HIS 64 N 1.29 1.19 -0.59 4.55 2.76 -0.39 -0.17 115.15 123.79 3gk9 h HIS 64 Ca 0.39 -0.12 0.08 0.00 -2.20 0.00 0.00 60.37 58.53 3gk9 h HIS 64 Cb -0.03 -0.35 -0.07 0.00 1.55 0.00 0.00 27.41 28.51 3gk9 h HIS 64 CO -0.00 0.94 0.24 0.82 -1.30 0.00 0.00 177.93 178.62 3gk9 h ILE 65 N 1.11 0.80 -0.59 6.26 2.04 -0.53 0.63 117.51 127.24 3gk9 h ILE 65 Ca 0.24 -0.15 0.08 0.00 1.00 0.00 0.00 64.86 66.03 3gk9 h ILE 65 Cb 0.30 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 3gk9 h ILE 65 CO -0.01 0.08 0.24 0.03 0.00 0.00 0.00 178.15 178.49 3gk9 h ARG 66 N 0.43 0.43 -0.53 2.37 3.08 -0.50 -1.13 114.38 118.54 3gk9 h ARG 66 Ca 0.29 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 3gk9 h ARG 66 Cb 0.33 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3gk9 h ARG 66 CO -0.28 0.28 0.24 0.87 -1.07 0.00 0.00 179.97 180.02 3gk9 h LYS 67 N 0.44 0.76 -0.32 0.04 1.57 -0.16 0.03 116.57 118.93 3gk9 h LYS 67 Ca 0.29 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 3gk9 h LYS 67 Cb 0.31 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3gk9 h LYS 67 CO -0.27 0.64 0.13 0.28 -0.57 0.00 0.00 179.45 179.67 3gk9 h VAL 68 N 0.70 0.94 -0.05 0.50 2.07 -0.31 -1.00 116.25 119.12 3gk9 h VAL 68 Ca 0.18 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.51 3gk9 h VAL 68 Cb 0.14 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3gk9 h VAL 68 CO -0.02 0.05 -0.40 0.24 0.02 0.00 0.00 177.57 177.46 3gk9 h MET 69 N 0.29 0.10 -0.40 1.57 2.86 -0.84 -1.21 114.93 117.28 3gk9 h MET 69 Ca 0.14 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.62 3gk9 h MET 69 Cb 0.09 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3gk9 h MET 69 CO -0.13 0.49 -0.24 -0.07 1.06 0.00 0.00 176.91 178.02 3gk9 h LEU 70 N 0.08 0.85 -0.28 1.22 3.38 -0.44 -0.26 115.31 119.86 3gk9 h LEU 70 Ca 0.01 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 3gk9 h LEU 70 Cb 0.75 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3gk9 h LEU 70 CO 0.06 1.05 -0.11 0.58 0.09 0.00 0.00 178.44 180.11 3gk9 h VAL 71 N 0.71 1.29 -0.46 1.22 2.07 -0.63 -0.90 116.25 119.56 3gk9 h VAL 71 Ca 0.09 -1.18 0.06 0.00 0.82 0.00 0.00 66.70 66.50 3gk9 h VAL 71 Cb 0.78 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 3gk9 h VAL 71 CO 0.06 0.37 0.15 0.40 0.02 0.00 0.00 177.57 178.58 3gk9 h ILE 72 N 0.32 0.84 -0.95 4.57 2.04 -1.21 -1.64 117.51 121.48 3gk9 h ILE 72 Ca 0.07 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 65.94 3gk9 h ILE 72 Cb 0.61 0.49 -0.08 0.00 -0.74 0.00 0.00 36.82 37.10 3gk9 h ILE 72 CO 0.04 0.06 0.58 -0.78 0.00 0.00 0.00 178.15 178.04 3gk9 h ASP 73 N 0.32 0.83 -0.75 1.72 3.58 -0.76 -0.46 116.42 120.89 3gk9 h ASP 73 Ca 0.22 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.69 3gk9 h ASP 73 Cb 0.23 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 3gk9 h ASP 73 CO -0.23 0.43 0.34 0.00 -2.88 0.00 0.00 179.24 176.90 3gk9 h ALA 74 N 1.52 0.97 -0.63 -0.78 0.00 -0.77 -1.27 119.26 118.30 3gk9 h ALA 74 Ca 0.47 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3gk9 h ALA 74 Cb 0.49 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3gk9 h ALA 74 CO -0.27 0.55 0.26 0.00 0.00 0.00 0.00 179.25 179.79 3gk9 h ALA 75 N 1.17 0.82 -0.54 0.00 0.00 -0.26 -1.30 119.26 119.15 3gk9 h ALA 75 Ca 0.25 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3gk9 h ALA 75 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3gk9 h ALA 75 CO -0.03 0.43 0.13 0.28 0.00 0.00 0.00 179.25 180.06 3gk9 h VAL 76 N 0.88 1.24 -0.89 0.00 2.07 -1.01 -0.74 116.25 117.80 3gk9 h VAL 76 Ca 0.21 -0.87 0.03 0.00 0.82 0.00 0.00 66.70 66.89 3gk9 h VAL 76 Cb 0.19 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 3gk9 h VAL 76 CO -0.02 0.32 0.59 0.74 0.02 0.00 0.00 177.57 179.21 3gk9 h THR 77 N 0.76 1.17 -0.74 2.57 2.02 -1.02 -2.91 112.91 114.76 3gk9 h THR 77 Ca 0.17 -0.39 -0.36 0.00 0.77 0.00 0.00 66.41 66.60 3gk9 h THR 77 Cb 0.34 -0.06 -0.21 0.00 -1.74 0.00 0.00 68.15 66.47 3gk9 h THR 77 CO 0.00 0.21 0.36 0.59 0.37 0.00 0.00 175.52 177.05 3gk9 n ASN 78 N -4.43 3.52 -0.22 4.18 4.13 -0.51 -4.75 115.26 117.18 3gk9 n ASN 78 Ca 0.11 -3.59 -0.02 0.00 1.68 0.00 0.00 54.58 52.76 3gk9 n ASN 78 Cb 0.08 -0.76 0.09 0.00 -1.54 0.00 0.00 39.78 37.66 3gk9 n ASN 78 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 3gk9 h VAL 79 N 1.26 0.97 0.00 2.41 -1.51 -0.93 -1.38 116.25 117.07 3gk9 h VAL 79 Ca 0.44 -0.22 -0.02 0.00 -1.23 0.00 0.00 66.70 65.67 3gk9 h VAL 79 Cb 2.39 0.26 -0.00 0.00 -2.13 0.00 0.00 31.29 31.80 3gk9 h VAL 79 CO 0.81 0.12 -0.10 -0.33 -1.23 0.00 0.00 177.57 176.84 3gk9 h GLU 80 N 0.65 0.00 -0.98 5.19 4.39 -1.87 -3.40 114.58 118.56 3gk9 h GLU 80 Ca 0.29 0.00 0.07 0.00 0.34 0.00 0.00 59.36 60.05 3gk9 h GLU 80 Cb 0.18 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 28.62 3gk9 h GLU 80 CO -0.18 0.10 -0.31 0.34 -1.16 0.00 0.00 179.01 177.80 3gk9 s ASP 81 N -5.98 -1.49 -0.12 1.42 2.15 -0.53 -5.03 116.67 107.09 3gk9 s ASP 81 Ca -0.02 0.54 0.05 0.00 0.43 0.00 0.00 52.55 53.55 3gk9 s ASP 81 Cb 0.12 2.09 0.33 0.00 -0.30 0.00 0.00 42.92 45.16 3gk9 s ASP 81 CO 0.56 -0.27 1.13 0.18 -0.17 0.00 0.00 175.17 176.60 3gk9 n LEU 82 N 5.42 3.44 0.07 -1.34 4.77 -1.12 -4.18 117.00 124.05 3gk9 n LEU 82 Ca 0.02 -1.76 -0.21 0.00 -0.03 0.00 0.00 56.01 54.03 3gk9 n LEU 82 Cb 0.52 -0.60 -0.13 0.00 -2.33 0.00 0.00 43.42 40.89 3gk9 n LEU 82 CO -0.02 0.50 0.01 0.28 -1.33 0.00 0.00 177.39 176.83 3gk9 h SER 83 N 1.33 0.80 -0.43 -1.43 0.02 -1.96 -1.91 113.55 109.98 3gk9 h SER 83 Ca 0.07 -0.81 0.12 0.00 -0.84 0.00 0.00 61.79 60.33 3gk9 h SER 83 Cb 1.31 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 3gk9 h SER 83 CO 0.28 1.53 0.48 0.77 -1.14 0.00 0.00 176.83 178.75 3gk9 h SER 84 N 0.18 0.00 0.00 3.07 4.64 -1.97 -2.79 113.55 116.68 3gk9 h SER 84 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3gk9 h SER 84 Cb 1.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 3gk9 h SER 84 CO 0.21 0.00 -1.27 0.18 -0.87 0.00 0.00 176.83 175.08 3gk9 n LEU 85 N -3.66 0.49 -0.12 5.97 4.77 -0.99 -4.67 117.00 118.78 3gk9 n LEU 85 Ca 0.08 -0.29 -0.05 0.00 -0.03 0.00 0.00 56.01 55.72 3gk9 n LEU 85 Cb 0.65 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.76 3gk9 n LEU 85 CO 0.27 0.12 0.75 -0.33 -1.33 0.00 0.00 177.39 176.87 3gk9 h GLU 86 N 0.00 -0.06 -0.35 3.23 4.39 -1.07 0.69 114.58 121.41 3gk9 h GLU 86 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3gk9 h GLU 86 Cb 0.60 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 3gk9 h GLU 86 CO 0.00 -0.04 0.04 0.93 -1.16 0.00 0.00 179.01 178.78 3gk9 h GLU 87 N -0.07 0.58 -0.12 2.33 4.39 -1.83 0.10 114.58 119.97 3gk9 h GLU 87 Ca 0.20 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.75 3gk9 h GLU 87 Cb 0.36 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 3gk9 h GLU 87 CO -0.45 0.67 0.01 -0.92 -1.16 0.00 0.00 179.01 177.16 3gk9 h TYR 88 N 0.41 0.00 -0.82 4.33 3.20 -1.79 -2.17 116.97 120.14 3gk9 h TYR 88 Ca 0.10 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 3gk9 h TYR 88 Cb 0.38 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 3gk9 h TYR 88 CO 0.03 -0.01 0.41 -0.07 -1.64 0.00 0.00 178.16 176.88 3gk9 h LEU 89 N 0.05 1.04 -0.61 2.82 3.38 -0.71 0.38 115.31 121.66 3gk9 h LEU 89 Ca 0.06 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3gk9 h LEU 89 Cb 0.06 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3gk9 h LEU 89 CO -0.09 0.86 0.35 0.74 0.09 0.00 0.00 178.44 180.39 3gk9 h THR 90 N 1.15 1.01 -0.13 0.22 2.02 -0.52 -0.61 112.91 116.05 3gk9 h THR 90 Ca 0.28 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 67.13 3gk9 h THR 90 Cb 0.08 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 3gk9 h THR 90 CO -0.04 0.12 -0.38 0.77 0.37 0.00 0.00 175.52 176.36 3gk9 h SER 91 N 0.67 0.29 -0.73 4.18 4.64 -0.87 -1.29 113.55 120.44 3gk9 h SER 91 Ca 0.26 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 3gk9 h SER 91 Cb 0.11 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 3gk9 h SER 91 CO -0.14 0.65 0.28 0.25 -0.87 0.00 0.00 176.83 177.00 3gk9 h LEU 92 N 0.24 1.01 -0.22 5.97 5.85 -0.50 -0.64 115.31 127.01 3gk9 h LEU 92 Ca 0.02 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3gk9 h LEU 92 Cb 0.79 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3gk9 h LEU 92 CO 0.06 0.91 0.12 1.23 -0.34 0.00 0.00 178.44 180.42 3gk9 h GLY 93 N 1.05 0.33 0.38 3.75 0.00 -0.75 -1.58 103.07 106.24 3gk9 h GLY 93 Ca 0.24 -0.15 0.11 0.00 0.00 0.00 0.00 47.33 47.53 3gk9 h GLY 93 CO -0.02 0.15 0.39 -0.09 0.00 0.00 0.00 176.54 176.97 3gk9 h ARG 94 N 0.24 0.61 -0.32 4.80 2.43 -1.00 0.11 114.38 121.25 3gk9 h ARG 94 Ca 0.08 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3gk9 h ARG 94 Cb 0.08 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 3gk9 h ARG 94 CO -0.01 0.40 0.15 -0.22 -1.51 0.00 0.00 179.97 178.78 3gk9 h LYS 95 N 0.63 0.45 -0.19 0.20 1.63 -0.86 -1.52 116.57 116.91 3gk9 h LYS 95 Ca 0.40 -0.07 -0.10 0.00 -0.85 0.00 0.00 60.65 60.03 3gk9 h LYS 95 Cb 0.47 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 3gk9 h LYS 95 CO -0.31 0.42 -0.31 0.45 -3.45 0.00 0.00 179.45 176.26 3gk9 h HIS 96 N 0.37 0.42 -0.51 1.91 3.86 -0.70 -1.33 115.15 119.17 3gk9 h HIS 96 Ca 0.11 -0.10 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3gk9 h HIS 96 Cb 0.12 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.46 3gk9 h HIS 96 CO -0.02 0.65 0.32 -0.09 0.86 0.00 0.00 177.93 179.65 3gk9 h ARG 97 N 0.33 0.64 -0.47 2.45 2.43 -0.53 0.06 114.38 119.27 3gk9 h ARG 97 Ca 0.04 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 3gk9 h ARG 97 Cb 0.71 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 3gk9 h ARG 97 CO 0.05 0.42 0.02 0.00 -1.51 0.00 0.00 179.97 178.96 3gk9 h ALA 98 N 1.20 1.15 0.00 2.80 0.00 -0.71 -2.23 119.26 121.47 3gk9 h ALA 98 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gk9 h ALA 98 Cb -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3gk9 h ALA 98 CO -0.06 0.55 0.00 1.33 0.00 0.00 0.00 179.25 181.07 3gk9 n VAL 99 N -4.23 0.52 0.00 0.00 0.24 -0.56 -4.90 118.33 109.41 3gk9 n VAL 99 Ca 0.03 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 3gk9 n VAL 99 Cb 0.28 -0.75 0.00 0.00 -1.47 0.00 0.00 33.84 31.90 3gk9 n VAL 99 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gk9 n GLY 100 N 0.85 1.12 3.71 7.63 0.00 -0.84 -4.92 105.19 112.74 3gk9 n GLY 100 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3gk9 n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gk9 s VAL 101 N -2.00 4.49 0.19 1.61 1.01 -0.03 -5.00 120.40 120.66 3gk9 s VAL 101 Ca 0.00 1.79 -0.30 0.00 0.00 0.00 0.00 61.98 63.47 3gk9 s VAL 101 Cb 0.00 -4.15 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 3gk9 s VAL 101 CO 0.00 0.12 0.95 -0.13 0.00 0.00 0.00 175.10 176.04 3gk9 s ARG 102 N 1.18 4.79 0.32 2.72 0.52 -1.26 -4.24 118.95 122.97 3gk9 s ARG 102 Ca 0.55 1.48 0.05 0.00 -0.52 0.00 0.00 55.73 57.29 3gk9 s ARG 102 Cb -0.24 -3.32 0.69 0.00 0.52 0.00 0.00 34.95 32.59 3gk9 s ARG 102 CO 0.27 0.38 1.87 1.25 0.02 0.00 0.00 175.30 179.10 3gk9 h LEU 103 N 4.74 0.78 -1.38 2.53 5.85 -1.97 0.75 115.31 126.62 3gk9 h LEU 103 Ca -0.44 0.04 0.30 0.00 0.84 0.00 0.00 57.88 58.62 3gk9 h LEU 103 Cb 1.20 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 42.01 3gk9 h LEU 103 CO 0.70 0.43 0.71 -1.28 -0.34 0.00 0.00 178.44 178.65 3gk9 h SER 104 N 0.84 0.40 0.70 1.25 0.87 -2.04 -1.16 113.55 114.41 3gk9 h SER 104 Ca 0.45 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 3gk9 h SER 104 Cb 0.54 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 3gk9 h SER 104 CO -0.21 0.02 0.00 0.28 -0.53 0.00 0.00 176.83 176.40 3gk9 h SER 105 N 0.32 0.00 0.85 6.23 0.02 -1.23 -2.56 113.55 117.17 3gk9 h SER 105 Ca 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.59 3gk9 h SER 105 Cb 1.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.28 3gk9 h SER 105 CO -0.32 0.00 0.00 -0.26 -1.14 0.00 0.00 176.83 175.11 3gk9 h PHE 106 N 0.00 0.00 -0.32 3.45 0.04 -1.32 -1.87 116.94 116.92 3gk9 h PHE 106 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3gk9 h PHE 106 Cb 0.35 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 3gk9 h PHE 106 CO 0.00 0.00 0.11 0.66 -0.60 0.00 0.00 178.31 178.48 3gk9 h SER 107 N 0.00 0.46 -0.37 2.17 4.64 -1.63 -0.79 113.55 118.03 3gk9 h SER 107 Ca 0.00 -0.20 -0.09 0.00 -0.47 0.00 0.00 61.79 61.04 3gk9 h SER 107 Cb 0.42 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 3gk9 h SER 107 CO 0.00 0.53 -0.07 0.74 -0.87 0.00 0.00 176.83 177.16 3gk9 h THR 108 N 0.36 1.25 -0.72 2.95 2.02 -1.56 -1.43 112.91 115.78 3gk9 h THR 108 Ca 0.10 -1.12 0.04 0.00 0.77 0.00 0.00 66.41 66.21 3gk9 h THR 108 Cb 0.23 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 3gk9 h THR 108 CO -0.00 0.39 0.44 0.58 0.37 0.00 0.00 175.52 177.29 3gk9 h VAL 109 N 0.72 1.06 -0.41 3.16 2.07 -1.27 0.27 116.25 121.85 3gk9 h VAL 109 Ca 0.13 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3gk9 h VAL 109 Cb 0.55 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3gk9 h VAL 109 CO 0.03 0.15 0.27 1.23 0.02 0.00 0.00 177.57 179.28 3gk9 h GLY 110 N 0.84 0.58 1.29 2.17 0.00 -0.23 -0.29 103.07 107.44 3gk9 h GLY 110 Ca 0.30 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 3gk9 h GLY 110 CO -0.13 0.21 0.16 0.83 0.00 0.00 0.00 176.54 177.61 3gk9 h GLU 111 N 0.56 0.89 -0.63 4.80 4.39 -0.99 -0.91 114.58 122.69 3gk9 h GLU 111 Ca 0.15 -0.18 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 3gk9 h GLU 111 Cb -0.06 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 3gk9 h GLU 111 CO -0.03 0.79 0.11 0.77 -1.16 0.00 0.00 179.01 179.49 3gk9 h SER 112 N 0.86 0.99 0.07 1.42 0.02 -0.48 0.13 113.55 116.56 3gk9 h SER 112 Ca 0.19 -0.25 0.02 0.00 -0.84 0.00 0.00 61.79 60.90 3gk9 h SER 112 Cb 0.29 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 3gk9 h SER 112 CO -0.00 0.99 -0.19 0.25 -1.14 0.00 0.00 176.83 176.74 3gk9 h LEU 113 N 0.95 -0.53 -1.30 5.07 5.85 -0.65 -0.56 115.31 124.13 3gk9 h LEU 113 Ca 0.19 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3gk9 h LEU 113 Cb 0.41 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3gk9 h LEU 113 CO 0.01 -0.26 0.26 -0.07 -0.34 0.00 0.00 178.44 178.04 3gk9 h LEU 114 N -0.34 0.66 -0.08 2.25 3.38 -1.04 -0.84 115.31 119.31 3gk9 h LEU 114 Ca 0.04 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3gk9 h LEU 114 Cb 0.38 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3gk9 h LEU 114 CO -0.13 0.56 0.04 0.22 0.09 0.00 0.00 178.44 179.22 3gk9 h TYR 115 N 0.74 0.10 -0.57 1.13 3.20 -0.68 -0.04 116.97 120.86 3gk9 h TYR 115 Ca 0.19 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.10 3gk9 h TYR 115 Cb 0.07 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.26 3gk9 h TYR 115 CO 0.01 0.13 0.31 1.98 -1.64 0.00 0.00 178.16 178.94 3gk9 h MET 116 N 0.05 0.57 -0.28 1.82 4.05 -0.56 -0.28 114.93 120.30 3gk9 h MET 116 Ca 0.03 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.37 3gk9 h MET 116 Cb 0.06 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 3gk9 h MET 116 CO -0.00 0.38 0.02 -0.07 0.23 0.00 0.00 176.91 177.46 3gk9 h LEU 117 N 0.59 0.47 -0.54 3.39 3.38 -0.99 -1.21 115.31 120.40 3gk9 h LEU 117 Ca 0.25 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3gk9 h LEU 117 Cb 0.14 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3gk9 h LEU 117 CO -0.16 0.64 0.29 -0.33 0.09 0.00 0.00 178.44 178.97 3gk9 h GLU 118 N 0.28 0.54 -0.42 1.13 5.08 -0.66 -0.27 114.58 120.28 3gk9 h GLU 118 Ca 0.08 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 3gk9 h GLU 118 Cb 0.39 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3gk9 h GLU 118 CO 0.01 0.36 -0.28 0.87 -1.00 0.00 0.00 179.01 178.97 3gk9 h LYS 119 N 0.56 0.89 -0.15 2.33 1.79 -0.91 -1.39 116.57 119.69 3gk9 h LYS 119 Ca 0.23 -0.41 -0.09 0.00 -2.18 0.00 0.00 60.65 58.21 3gk9 h LYS 119 Cb 0.12 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3gk9 h LYS 119 CO -0.15 1.06 -0.25 1.03 -1.08 0.00 0.00 179.45 180.06 3gk9 h SER 120 N 0.76 0.48 0.95 0.86 0.87 -0.92 -3.36 113.55 113.19 3gk9 h SER 120 Ca 0.09 -0.54 -0.12 0.00 -1.23 0.00 0.00 61.79 60.00 3gk9 h SER 120 Cb 0.84 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 3gk9 h SER 120 CO 0.07 0.93 -1.11 -0.07 -0.53 0.00 0.00 176.83 176.12 3gk9 h LEU 121 N 0.06 0.00 0.00 2.23 3.38 -1.07 -3.49 115.31 116.42 3gk9 h LEU 121 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3gk9 h LEU 121 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3gk9 h LEU 121 CO 0.06 0.43 0.00 0.61 0.09 0.00 0.00 178.44 179.63 3gk9 n GLY 122 N 1.31 3.65 0.31 0.83 0.00 -0.53 -2.00 105.19 108.77 3gk9 n GLY 122 Ca -0.05 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.14 3gk9 n GLY 122 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gk9 h PRO 123 N 0.00 0.00 0.00 1.61 0.11 -1.95 -0.42 132.00 131.36 3gk9 h PRO 123 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3gk9 h PRO 123 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3gk9 h PRO 123 CO 0.00 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.54 3gk9 n ASP 124 N -4.41 0.00 -4.04 -2.05 8.00 -0.84 -4.04 116.55 109.16 3gk9 n ASP 124 Ca 0.02 0.05 -0.43 0.00 0.71 0.00 0.00 54.79 55.14 3gk9 n ASP 124 Cb 0.28 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 3gk9 n ASP 124 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3gk9 n PHE 125 N -1.30 3.51 -1.32 1.24 7.35 -0.17 -4.90 117.46 121.88 3gk9 n PHE 125 Ca 0.08 -2.95 -0.31 0.00 -0.76 0.00 0.00 57.45 53.51 3gk9 n PHE 125 Cb 0.15 -1.99 0.09 0.00 0.35 0.00 0.00 39.48 38.08 3gk9 n PHE 125 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3gk9 s THR 126 N 0.60 3.33 0.29 -2.13 -4.23 -1.26 -4.73 115.64 107.51 3gk9 s THR 126 Ca 0.40 0.43 0.02 0.00 -1.18 0.00 0.00 61.69 61.37 3gk9 s THR 126 Cb 0.06 -2.97 0.32 0.00 1.34 0.00 0.00 72.50 71.25 3gk9 s THR 126 CO 0.01 -0.57 1.63 -0.65 -0.54 0.00 0.00 174.62 174.50 3gk9 h PRO 127 N -1.12 0.16 -0.53 3.99 0.11 -1.94 -0.79 132.00 131.88 3gk9 h PRO 127 Ca -0.45 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 3gk9 h PRO 127 Cb 1.24 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3gk9 h PRO 127 CO 0.53 0.11 0.07 0.00 -0.21 0.00 0.00 178.00 178.50 3gk9 h ALA 128 N 1.81 1.14 -0.08 -0.75 0.00 -1.98 -1.84 119.26 117.55 3gk9 h ALA 128 Ca 0.56 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3gk9 h ALA 128 Cb 1.15 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3gk9 h ALA 128 CO -0.69 0.57 -0.04 1.15 0.00 0.00 0.00 179.25 180.24 3gk9 h THR 129 N 0.80 1.32 -0.39 0.00 2.02 -1.61 -1.50 112.91 113.55 3gk9 h THR 129 Ca 0.17 -1.05 0.07 0.00 0.77 0.00 0.00 66.41 66.37 3gk9 h THR 129 Cb 0.38 1.86 -0.06 0.00 -1.74 0.00 0.00 68.15 68.59 3gk9 h THR 129 CO 0.01 0.29 0.03 -0.09 0.37 0.00 0.00 175.52 176.13 3gk9 h ARG 130 N -0.21 0.13 -0.74 6.66 2.43 -1.15 -1.54 114.38 119.97 3gk9 h ARG 130 Ca 0.02 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3gk9 h ARG 130 Cb 0.48 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 3gk9 h ARG 130 CO 0.01 0.09 0.42 1.15 -1.51 0.00 0.00 179.97 180.13 3gk9 h THR 131 N 0.14 1.22 0.11 0.20 2.02 -1.24 -0.68 112.91 114.68 3gk9 h THR 131 Ca 0.19 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 3gk9 h THR 131 Cb 0.26 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3gk9 h THR 131 CO -0.30 0.24 -0.05 0.00 0.37 0.00 0.00 175.52 175.78 3gk9 h ALA 132 N 1.22 -0.14 -0.76 6.16 0.00 -0.90 -1.20 119.26 123.64 3gk9 h ALA 132 Ca 0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3gk9 h ALA 132 Cb 0.01 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3gk9 h ALA 132 CO -0.04 -0.57 0.42 -1.49 0.00 0.00 0.00 179.25 177.56 3gk9 h TRP 133 N -0.16 1.04 -0.58 0.00 4.06 -1.17 -0.60 115.95 118.54 3gk9 h TRP 133 Ca -0.01 -0.03 0.05 0.00 2.06 0.00 0.00 58.89 60.96 3gk9 h TRP 133 Cb 0.13 -0.33 -0.05 0.00 -1.00 0.00 0.00 29.16 27.91 3gk9 h TRP 133 CO -0.06 0.73 0.31 0.77 -3.56 0.00 0.00 178.44 176.63 3gk9 h SER 134 N 1.05 0.46 -0.44 -3.49 0.02 -0.90 0.61 113.55 110.87 3gk9 h SER 134 Ca 0.27 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.18 3gk9 h SER 134 Cb 0.04 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 3gk9 h SER 134 CO -0.04 0.31 0.03 0.03 -1.14 0.00 0.00 176.83 176.02 3gk9 h ARG 135 N 0.59 0.75 -0.05 3.45 3.08 -0.77 0.79 114.38 122.22 3gk9 h ARG 135 Ca 0.26 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3gk9 h ARG 135 Cb 0.15 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3gk9 h ARG 135 CO -0.17 0.80 0.01 1.25 -1.07 0.00 0.00 179.97 180.79 3gk9 h LEU 136 N 0.60 0.07 -0.53 3.04 5.85 -0.87 -0.94 115.31 122.52 3gk9 h LEU 136 Ca 0.13 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.65 3gk9 h LEU 136 Cb 0.44 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 3gk9 h LEU 136 CO 0.02 0.29 0.27 0.22 -0.34 0.00 0.00 178.44 178.90 3gk9 h TYR 137 N -0.16 0.50 -0.80 1.25 3.20 -0.85 -1.12 116.97 118.99 3gk9 h TYR 137 Ca 0.01 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.01 3gk9 h TYR 137 Cb 0.25 -0.15 -0.08 0.00 1.54 0.00 0.00 36.73 38.30 3gk9 h TYR 137 CO 0.01 0.24 0.43 0.78 -1.64 0.00 0.00 178.16 177.98 3gk9 h GLY 138 N 0.53 1.25 0.99 1.82 0.00 -0.61 -0.79 103.07 106.26 3gk9 h GLY 138 Ca 0.24 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 47.24 3gk9 h GLY 138 CO -0.16 0.06 0.08 0.00 0.00 0.00 0.00 176.54 176.52 3gk9 h ALA 139 N 1.48 0.68 -0.04 3.60 0.00 -0.40 -0.59 119.26 123.99 3gk9 h ALA 139 Ca 0.40 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3gk9 h ALA 139 Cb 0.45 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3gk9 h ALA 139 CO -0.29 0.41 -0.01 0.28 0.00 0.00 0.00 179.25 179.65 3gk9 h VAL 140 N 0.73 0.97 -0.47 0.00 2.07 -0.68 -2.54 116.25 116.32 3gk9 h VAL 140 Ca 0.16 -0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.64 3gk9 h VAL 140 Cb 0.40 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3gk9 h VAL 140 CO 0.01 0.00 0.13 0.58 0.02 0.00 0.00 177.57 178.32 3gk9 h VAL 141 N 0.01 1.20 -0.19 2.57 2.07 -1.02 -0.80 116.25 120.08 3gk9 h VAL 141 Ca 0.02 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 66.90 3gk9 h VAL 141 Cb 0.03 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3gk9 h VAL 141 CO -0.04 0.25 -0.02 -0.61 0.02 0.00 0.00 177.57 177.18 3gk9 h GLN 142 N 0.68 0.04 0.22 1.57 4.15 -0.84 0.25 115.11 121.16 3gk9 h GLN 142 Ca 0.16 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 3gk9 h GLN 142 Cb 0.22 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.90 3gk9 h GLN 142 CO -0.01 0.02 -0.10 0.00 -1.93 0.00 0.00 178.83 176.81 3gk9 h ALA 143 N 1.18 -0.29 -0.89 3.38 0.00 -1.14 -2.90 119.26 118.59 3gk9 h ALA 143 Ca 0.09 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.03 3gk9 h ALA 143 Cb 0.12 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 3gk9 h ALA 143 CO -0.17 -0.60 0.57 0.52 0.00 0.00 0.00 179.25 179.57 3gk9 h MET 144 N -0.41 0.66 0.00 0.00 2.86 -0.97 -2.30 114.93 114.77 3gk9 h MET 144 Ca -0.03 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3gk9 h MET 144 Cb 0.32 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 3gk9 h MET 144 CO 0.05 0.44 -0.07 0.66 1.06 0.00 0.00 176.91 179.04 3gk9 h SER 145 N 0.68 0.00 -0.11 1.22 4.64 -0.30 -0.26 113.55 119.42 3gk9 h SER 145 Ca 0.44 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.80 3gk9 h SER 145 Cb 0.72 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3gk9 h SER 145 CO -0.20 0.07 0.15 0.03 -0.87 0.00 0.00 176.83 176.01 3gk9 h ARG 146 N 0.00 0.00 0.00 4.77 3.08 -1.40 -1.78 114.38 119.05 3gk9 h ARG 146 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3gk9 h ARG 146 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3gk9 h ARG 146 CO 0.01 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 3gk9 n GLY 147 N -1.33 -1.40 2.39 0.04 0.00 -0.11 -3.04 105.19 101.74 3gk9 n GLY 147 Ca -0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 3gk9 n GLY 147 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3gk9 n TRP 148 N -1.98 1.78 -0.75 1.61 8.01 -0.67 -3.95 117.44 121.49 3gk9 n TRP 148 Ca 0.04 -2.04 0.00 0.00 -1.31 0.00 0.00 57.50 54.20 3gk9 n TRP 148 Cb 0.30 -1.28 0.00 0.00 -2.01 0.00 0.00 31.31 28.32 3gk9 n TRP 148 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 3gk9 n ASP 149 N 0.55 0.00 0.00 -0.99 2.03 -1.24 -5.14 116.55 111.77 3gk9 n ASP 149 Ca 0.46 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.77 3gk9 n ASP 149 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 3gk9 n ASP 149 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89