#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1q s PRO 2 N 0.00 4.43 0.26 0.03 0.04 -1.26 -4.26 135.00 134.24 3k1q s PRO 2 Ca 0.00 1.05 -0.31 0.00 0.04 0.00 0.00 61.00 61.78 3k1q s PRO 2 Cb 0.00 -3.49 -0.13 0.00 0.04 0.00 0.00 34.50 30.93 3k1q s PRO 2 CO 0.00 -0.07 1.47 -0.11 0.04 0.00 0.00 177.00 178.32 3k1q n LEU 3 N 4.22 3.56 -4.12 -3.56 7.94 -1.26 -5.05 117.00 118.73 3k1q n LEU 3 Ca 0.02 1.15 -0.11 0.00 -1.11 0.00 0.00 56.01 55.96 3k1q n LEU 3 Cb 0.51 -1.49 -0.10 0.00 0.53 0.00 0.00 43.42 42.86 3k1q n LEU 3 CO 0.49 -0.27 -0.39 -1.00 -1.11 0.00 0.00 177.39 175.11 3k1q s HIS 4 N -0.09 0.78 -1.06 1.96 3.76 -1.26 -4.75 115.29 114.64 3k1q s HIS 4 Ca 0.66 -0.78 -0.17 0.00 -0.15 0.00 0.00 55.06 54.63 3k1q s HIS 4 Cb -0.59 -0.46 -0.01 0.00 1.11 0.00 0.00 32.58 32.63 3k1q s HIS 4 CO 0.50 -0.14 0.76 -1.33 -0.85 0.00 0.00 174.74 173.67 3k1q n MET 5 N 0.50 -1.23 0.24 1.40 2.81 -1.26 -4.72 117.12 114.86 3k1q n MET 5 Ca -0.16 0.60 -0.15 0.00 -1.81 0.00 0.00 57.70 56.17 3k1q n MET 5 Cb 0.59 -4.03 -0.08 0.00 -0.71 0.00 0.00 33.22 28.99 3k1q n MET 5 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3k1q h ILE 6 N -1.46 0.37 -0.71 2.02 5.03 -2.00 -1.97 117.51 118.79 3k1q h ILE 6 Ca -0.59 0.00 0.21 0.00 -0.12 0.00 0.00 64.86 64.36 3k1q h ILE 6 Cb 1.33 0.37 -0.03 0.00 -3.03 0.00 0.00 36.82 35.46 3k1q h ILE 6 CO 0.45 0.00 0.54 -0.65 -0.68 0.00 0.00 178.15 177.80 3k1q h PRO 7 N -0.69 0.00 0.02 2.37 0.11 -1.95 -1.44 132.00 130.43 3k1q h PRO 7 Ca -0.03 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 3k1q h PRO 7 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 3k1q h PRO 7 CO -0.01 0.00 -0.01 1.96 -0.21 0.00 0.00 178.00 179.73 3k1q h GLN 8 N 0.00 -0.03 0.00 1.05 7.50 -1.75 -1.13 115.11 120.75 3k1q h GLN 8 Ca 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.49 3k1q h GLN 8 Cb 1.41 0.01 -0.00 0.00 0.05 0.00 0.00 27.48 28.94 3k1q h GLN 8 CO -0.00 0.69 -0.00 0.28 -1.50 0.00 0.00 178.83 178.30 3k1q h VAL 9 N -0.93 0.90 -0.49 -0.54 2.07 -1.31 -0.46 116.25 115.49 3k1q h VAL 9 Ca -0.00 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3k1q h VAL 9 Cb 0.73 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 3k1q h VAL 9 CO 0.00 0.00 0.26 0.00 0.02 0.00 0.00 177.57 177.86 3k1q h ALA 10 N 2.00 0.63 -0.53 1.67 0.00 -1.33 0.83 119.26 122.54 3k1q h ALA 10 Ca -0.00 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.92 3k1q h ALA 10 Cb 0.00 -0.20 -0.11 0.00 0.00 0.00 0.00 17.79 17.49 3k1q h ALA 10 CO 0.00 0.17 -0.22 0.45 0.00 0.00 0.00 179.25 179.65 3k1q h HIS 11 N 0.65 -0.54 -0.34 0.00 -0.00 -0.45 -0.59 115.15 113.88 3k1q h HIS 11 Ca 0.17 0.06 -0.03 0.00 -0.00 0.00 0.00 60.37 60.56 3k1q h HIS 11 Cb 0.07 0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.79 3k1q h HIS 11 CO -0.01 -0.30 0.08 0.00 -0.00 0.00 0.00 177.93 177.69 3k1q h ALA 12 N 1.29 0.45 -0.36 2.45 0.00 -0.95 0.00 119.26 122.15 3k1q h ALA 12 Ca 0.25 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3k1q h ALA 12 Cb 0.47 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.05 3k1q h ALA 12 CO -0.59 0.12 -0.43 1.98 0.00 0.00 0.00 179.25 180.34 3k1q h MET 13 N 0.40 -0.34 0.00 0.00 -1.53 0.10 -2.08 114.93 111.48 3k1q h MET 13 Ca 0.11 0.02 -0.02 0.00 -3.44 0.00 0.00 59.70 56.37 3k1q h MET 13 Cb 0.31 0.08 -0.00 0.00 -0.55 0.00 0.00 31.60 31.44 3k1q h MET 13 CO 0.00 -0.23 -0.11 -0.24 0.14 0.00 0.00 176.91 176.47 3k1q h VAL 14 N -0.36 0.90 -0.25 -5.77 3.04 -0.83 -1.94 116.25 111.04 3k1q h VAL 14 Ca 0.13 -0.42 -0.06 0.00 -1.01 0.00 0.00 66.70 65.33 3k1q h VAL 14 Cb 0.59 1.24 -0.01 0.00 -2.01 0.00 0.00 31.29 31.09 3k1q h VAL 14 CO -0.54 0.11 -0.13 -0.09 -1.01 0.00 0.00 177.57 175.91 3k1q h ARG 15 N 0.00 0.41 -0.52 4.17 9.65 -0.50 -0.29 114.38 127.30 3k1q h ARG 15 Ca -0.00 -0.11 -0.06 0.00 -1.10 0.00 0.00 59.98 58.70 3k1q h ARG 15 Cb 0.23 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 3k1q h ARG 15 CO 0.01 0.54 0.07 0.00 2.80 0.00 0.00 179.97 183.39 3k1q h ALA 16 N 1.49 1.14 -0.38 2.80 0.00 -0.71 -2.37 119.26 121.23 3k1q h ALA 16 Ca 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3k1q h ALA 16 Cb 0.46 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3k1q h ALA 16 CO 0.03 0.57 0.18 0.00 0.00 0.00 0.00 179.25 180.03 3k1q h ALA 17 N 1.28 0.49 0.00 0.00 0.00 -1.37 -2.72 119.26 116.94 3k1q h ALA 17 Ca 0.16 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3k1q h ALA 17 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3k1q h ALA 17 CO 0.01 0.05 -0.33 0.00 0.00 0.00 0.00 179.25 178.97 3k1q h ALA 18 N 1.03 1.29 -0.84 0.00 0.00 -0.93 -2.91 119.26 116.89 3k1q h ALA 18 Ca 0.13 -0.30 -0.54 0.00 0.00 0.00 0.00 54.91 54.19 3k1q h ALA 18 Cb 0.12 -0.05 -0.29 0.00 0.00 0.00 0.00 17.79 17.56 3k1q h ALA 18 CO -0.02 0.42 0.31 0.00 0.00 0.00 0.00 179.25 179.96 3k1q n ALA 19 N -2.40 5.61 0.00 0.00 0.00 -0.90 -4.93 120.51 117.88 3k1q n ALA 19 Ca -0.02 -3.40 0.00 0.00 0.00 0.00 0.00 53.44 50.03 3k1q n ALA 19 Cb 0.40 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3k1q n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1q n GLY 20 N -0.95 0.44 3.56 0.00 0.00 -1.05 -4.81 105.19 102.38 3k1q n GLY 20 Ca 0.53 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.27 3k1q n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k1q s ARG 21 N 0.00 2.44 -0.15 1.61 1.81 -1.07 -4.69 118.95 118.90 3k1q s ARG 21 Ca 0.00 0.10 0.00 0.00 -1.72 0.00 0.00 55.73 54.11 3k1q s ARG 21 Cb 0.00 -4.84 0.03 0.00 -0.45 0.00 0.00 34.95 29.68 3k1q s ARG 21 CO 0.00 -3.34 -0.11 -1.17 -0.68 0.00 0.00 175.30 170.01 3k1q s LEU 22 N 10.47 1.65 -1.05 2.53 2.96 -1.21 -4.61 118.68 129.42 3k1q s LEU 22 Ca 0.73 -0.53 -0.25 0.00 -0.22 0.00 0.00 54.13 53.86 3k1q s LEU 22 Cb -0.09 -1.06 -0.13 0.00 0.50 0.00 0.00 46.19 45.40 3k1q s LEU 22 CO 0.07 -0.11 2.06 0.42 -1.32 0.00 0.00 176.35 177.47 3k1q s THR 23 N 1.55 3.29 -1.33 3.68 -4.23 -1.26 -4.89 115.64 112.44 3k1q s THR 23 Ca 0.03 -0.42 -0.06 0.00 -1.18 0.00 0.00 61.69 60.07 3k1q s THR 23 Cb -0.14 -4.07 0.11 0.00 1.34 0.00 0.00 72.50 69.75 3k1q s THR 23 CO -0.09 -0.55 2.38 -0.11 -0.54 0.00 0.00 174.62 175.71 3k1q n LEU 24 N 16.61 8.01 -4.40 4.79 7.94 -1.26 -3.08 117.00 145.62 3k1q n LEU 24 Ca 0.43 -4.85 -0.42 0.00 -1.11 0.00 0.00 56.01 50.06 3k1q n LEU 24 Cb 0.46 -1.38 -0.10 0.00 0.53 0.00 0.00 43.42 42.94 3k1q n LEU 24 CO 0.62 2.02 -0.08 -0.47 -1.11 0.00 0.00 177.39 178.37 3k1q s TYR 25 N -0.91 3.25 0.52 1.96 6.04 -1.19 -0.48 117.35 126.53 3k1q s TYR 25 Ca 0.54 -0.87 -0.05 0.00 0.04 0.00 0.00 57.07 56.73 3k1q s TYR 25 Cb 0.18 -2.70 -0.02 0.00 -1.04 0.00 0.00 41.96 38.38 3k1q s TYR 25 CO -0.09 -0.68 0.82 -0.08 -1.54 0.00 0.00 175.55 173.98 3k1q s THR 26 N 1.61 4.37 0.00 4.34 -1.32 -0.53 0.78 115.64 124.89 3k1q s THR 26 Ca 0.04 0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.59 3k1q s THR 26 Cb -0.21 -3.68 0.00 0.00 -1.51 0.00 0.00 72.50 67.10 3k1q s THR 26 CO 0.07 -0.67 0.00 -2.11 -2.21 0.00 0.00 174.62 169.71 3k1q n ARG 27 N -2.37 0.00 0.00 7.08 0.00 -1.26 0.09 116.66 120.21 3k1q n ARG 27 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.83 3k1q n ARG 27 Cb 0.56 0.00 -0.11 0.00 -0.00 0.00 0.00 32.46 32.91 3k1q n ARG 27 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3k1q n THR 28 N -1.44 1.35 -3.74 8.89 -2.24 -1.26 -4.96 114.28 110.88 3k1q n THR 28 Ca 0.00 -0.74 -0.37 0.00 -2.27 0.00 0.00 64.05 60.68 3k1q n THR 28 Cb 0.00 -0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 67.28 3k1q n THR 28 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3k1q s ARG 29 N -2.78 3.84 0.50 -0.78 3.52 0.11 -5.01 118.95 118.35 3k1q s ARG 29 Ca -0.04 -0.39 0.19 0.00 -0.13 0.00 0.00 55.73 55.36 3k1q s ARG 29 Cb 0.08 -3.43 1.25 0.00 -1.56 0.00 0.00 34.95 31.30 3k1q s ARG 29 CO 0.82 -0.08 2.04 1.15 -0.81 0.00 0.00 175.30 178.41 3k1q h THR 30 N 5.33 0.87 -4.16 4.11 2.02 -1.89 -1.40 112.91 117.78 3k1q h THR 30 Ca -0.37 -0.04 -0.47 0.00 0.77 0.00 0.00 66.41 66.30 3k1q h THR 30 Cb 1.18 0.73 -0.29 0.00 -1.74 0.00 0.00 68.15 68.03 3k1q h THR 30 CO 0.60 0.02 -0.81 -0.70 0.37 0.00 0.00 175.52 175.00 3k1q s GLU 31 N -5.14 1.06 -0.99 6.66 2.56 -1.26 -3.50 118.70 118.10 3k1q s GLU 31 Ca -0.06 -0.46 -0.20 0.00 0.00 0.00 0.00 54.97 54.25 3k1q s GLU 31 Cb 0.19 -1.02 -0.10 0.00 2.00 0.00 0.00 34.13 35.20 3k1q s GLU 31 CO 0.72 0.28 1.98 2.41 -0.56 0.00 0.00 175.26 180.08 3k1q n THR 32 N 2.77 2.26 0.26 -1.70 -1.04 0.37 -4.73 114.28 112.48 3k1q n THR 32 Ca -0.14 -2.05 -0.11 0.00 -2.04 0.00 0.00 64.05 59.70 3k1q n THR 32 Cb 0.55 -2.36 -0.05 0.00 -1.82 0.00 0.00 70.33 66.65 3k1q n THR 32 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3k1q h THR 33 N 4.66 0.00 -4.32 12.58 1.35 -1.90 -3.45 112.91 121.82 3k1q h THR 33 Ca 0.43 -0.47 -0.50 0.00 -0.55 0.00 0.00 66.41 65.32 3k1q h THR 33 Cb 0.71 0.01 0.05 0.00 -1.73 0.00 0.00 68.15 67.19 3k1q h THR 33 CO 1.83 0.00 0.41 0.54 -0.25 0.00 0.00 175.52 178.04 3k1q s ASN 34 N -4.72 6.22 0.00 5.36 2.20 -1.26 -4.96 114.94 117.78 3k1q s ASN 34 Ca -0.11 1.48 0.00 0.00 -0.94 0.00 0.00 52.86 53.29 3k1q s ASN 34 Cb 0.01 -2.48 0.00 0.00 -2.00 0.00 0.00 41.25 36.78 3k1q s ASN 34 CO 0.32 -0.87 0.68 0.33 -2.94 0.00 0.00 177.10 174.62 3k1q n PHE 35 N -2.53 0.00 -2.62 1.54 -0.00 -1.26 -4.65 117.46 107.94 3k1q n PHE 35 Ca 0.06 -0.34 -0.43 0.00 -0.00 0.00 0.00 57.45 56.74 3k1q n PHE 35 Cb 0.54 -0.23 0.00 0.00 -0.00 0.00 0.00 39.48 39.79 3k1q n PHE 35 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3k1q n ASP 36 N 0.94 4.99 0.00 -2.13 2.03 -1.26 -4.68 116.55 116.44 3k1q n ASP 36 Ca 0.00 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.33 3k1q n ASP 36 Cb 0.28 -1.61 0.00 0.00 -0.72 0.00 0.00 41.12 39.07 3k1q n ASP 36 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3k1q n HIS 37 N 6.02 0.00 -0.87 -0.67 -0.00 -1.26 -4.73 115.22 113.71 3k1q n HIS 37 Ca 0.42 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.81 3k1q n HIS 37 Cb 0.42 0.00 0.14 0.00 -0.00 0.00 0.00 29.99 30.55 3k1q n HIS 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3k1q n ALA 38 N 0.00 -1.18 -0.01 1.59 0.00 -1.26 -4.32 120.51 115.33 3k1q n ALA 38 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 53.44 52.94 3k1q n ALA 38 Cb 0.00 -2.07 -0.01 0.00 0.00 0.00 0.00 19.45 17.37 3k1q n ALA 38 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3k1q n GLU 39 N -2.97 1.68 -3.59 0.00 2.13 0.54 -0.27 120.64 118.15 3k1q n GLU 39 Ca 0.11 0.01 -0.29 0.00 0.66 0.00 0.00 57.16 57.65 3k1q n GLU 39 Cb 0.52 -1.05 -0.12 0.00 0.27 0.00 0.00 31.44 31.06 3k1q n GLU 39 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 3k1q s TYR 40 N -2.05 1.61 -0.48 4.31 -0.00 0.23 -3.78 117.35 117.20 3k1q s TYR 40 Ca -0.02 -2.30 -0.13 0.00 -0.00 0.00 0.00 57.07 54.61 3k1q s TYR 40 Cb 0.01 -1.49 0.09 0.00 -0.00 0.00 0.00 41.96 40.57 3k1q s TYR 40 CO 0.07 -0.78 0.38 0.08 -0.00 0.00 0.00 175.55 175.30 3k1q s VAL 41 N 0.26 4.85 -1.09 -3.49 1.01 0.08 -3.19 120.40 118.82 3k1q s VAL 41 Ca 0.22 -1.35 -0.27 0.00 0.00 0.00 0.00 61.98 60.59 3k1q s VAL 41 Cb -0.15 -4.01 -0.22 0.00 0.00 0.00 0.00 36.38 32.01 3k1q s VAL 41 CO -0.07 -0.66 2.11 0.42 0.00 0.00 0.00 175.10 176.90 3k1q s THR 42 N 1.54 3.06 -1.21 3.92 -4.23 -1.26 -0.78 115.64 116.68 3k1q s THR 42 Ca 0.04 -0.10 -0.13 0.00 -1.18 0.00 0.00 61.69 60.32 3k1q s THR 42 Cb -0.26 -4.03 0.18 0.00 1.34 0.00 0.00 72.50 69.73 3k1q s THR 42 CO 0.04 -0.10 1.48 0.00 -0.54 0.00 0.00 174.62 175.49 3k1q n GLY 44 N 3.79 -1.28 4.43 0.00 0.00 -1.26 -1.78 105.19 109.09 3k1q n GLY 44 Ca 0.36 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.95 3k1q n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1q n ARG 45 N -2.29 0.00 -2.03 1.61 5.12 -1.26 -4.97 116.66 112.85 3k1q n ARG 45 Ca -0.20 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.43 3k1q n ARG 45 Cb 0.62 -0.78 -0.05 0.00 -1.16 0.00 0.00 32.46 31.10 3k1q n ARG 45 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3k1q s TYR 46 N 0.00 1.75 -0.97 -1.55 2.02 -0.73 -4.89 117.35 112.98 3k1q s TYR 46 Ca 0.00 0.72 -0.26 0.00 -0.37 0.00 0.00 57.07 57.15 3k1q s TYR 46 Cb 0.00 -4.03 -0.19 0.00 -0.40 0.00 0.00 41.96 37.34 3k1q s TYR 46 CO 0.00 -1.86 2.24 0.95 -1.57 0.00 0.00 175.55 175.31 3k1q s THR 47 N 10.07 3.01 0.23 -0.71 -4.23 -1.25 0.11 115.64 122.88 3k1q s THR 47 Ca 0.71 -0.02 -0.32 0.00 -1.18 0.00 0.00 61.69 60.88 3k1q s THR 47 Cb -0.08 -3.60 -0.12 0.00 1.34 0.00 0.00 72.50 70.04 3k1q s THR 47 CO 0.04 -0.03 1.60 -0.38 -0.54 0.00 0.00 174.62 175.31 3k1q n ILE 48 N 8.97 0.51 -3.91 2.99 5.41 0.04 -1.73 119.36 131.64 3k1q n ILE 48 Ca 0.44 -0.13 -0.30 0.00 1.00 0.00 0.00 62.75 63.75 3k1q n ILE 48 Cb 0.45 -1.80 -0.15 0.00 -0.71 0.00 0.00 39.64 37.43 3k1q n ILE 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k1q h ALA 50 N 7.84 1.75 -0.71 0.00 0.00 -0.85 0.28 119.26 127.57 3k1q h ALA 50 Ca -0.11 -0.13 0.25 0.00 0.00 0.00 0.00 54.91 54.93 3k1q h ALA 50 Cb 1.03 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 3k1q h ALA 50 CO 0.48 0.18 0.22 1.19 0.00 0.00 0.00 179.25 181.31 3k1q n PHE 51 N -4.35 0.66 -0.42 0.00 3.72 -0.98 -2.14 117.46 113.95 3k1q n PHE 51 Ca -0.03 0.84 0.00 0.00 -0.05 0.00 0.00 57.45 58.22 3k1q n PHE 51 Cb 0.21 -1.16 0.01 0.00 -0.94 0.00 0.00 39.48 37.60 3k1q n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k1q n LEU 53 N -0.36 0.00 0.00 0.00 4.77 -0.70 -4.14 117.00 116.57 3k1q n LEU 53 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3k1q n LEU 53 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3k1q n LEU 53 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.47 3k1q n THR 54 N -0.19 0.00 -4.02 -5.08 -1.04 -1.24 -4.63 114.28 98.08 3k1q n THR 54 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 3k1q n THR 54 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 3k1q n THR 54 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3k1q s THR 55 N 0.00 0.30 0.00 12.58 -4.23 -1.26 -0.77 115.64 122.26 3k1q s THR 55 Ca 0.00 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 3k1q s THR 55 Cb 0.00 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.37 3k1q s THR 55 CO 0.00 -0.48 0.00 0.18 -0.54 0.00 0.00 174.62 173.78 3k1q n LEU 56 N 1.46 0.00 -4.74 4.79 4.77 -0.71 -4.73 117.00 117.85 3k1q n LEU 56 Ca -0.23 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.42 3k1q n LEU 56 Cb 0.55 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.56 3k1q n LEU 56 CO 0.21 0.00 -0.28 0.00 -1.33 0.00 0.00 177.39 175.99 3k1q s ALA 57 N 0.00 3.45 0.63 -1.18 0.00 -1.26 -4.84 121.76 118.56 3k1q s ALA 57 Ca 0.00 -0.86 -0.19 0.00 0.00 0.00 0.00 51.96 50.91 3k1q s ALA 57 Cb 0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.59 3k1q s ALA 57 CO 0.00 0.65 1.30 -0.35 0.00 0.00 0.00 175.76 177.36 3k1q n PRO 58 N 1.52 1.20 -0.20 0.00 -0.04 -1.26 -4.50 135.00 131.72 3k1q n PRO 58 Ca -0.15 0.46 -0.08 0.00 -0.04 0.00 0.00 63.50 63.69 3k1q n PRO 58 Cb 0.53 -2.54 0.02 0.00 -0.04 0.00 0.00 33.50 31.48 3k1q n PRO 58 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3k1q h HIS 59 N 0.66 0.94 -4.47 0.54 3.86 -1.90 -3.46 115.15 111.31 3k1q h HIS 59 Ca -0.51 -0.10 -0.37 0.00 -1.16 0.00 0.00 60.37 58.23 3k1q h HIS 59 Cb 1.34 -0.27 -0.10 0.00 1.06 0.00 0.00 27.41 29.44 3k1q h HIS 59 CO 0.41 0.79 -0.32 0.00 0.86 0.00 0.00 177.93 179.68 3k1q s ALA 60 N -5.37 1.27 -0.85 2.45 0.00 -1.26 -5.02 121.76 112.98 3k1q s ALA 60 Ca -0.13 -1.78 0.01 0.00 0.00 0.00 0.00 51.96 50.07 3k1q s ALA 60 Cb 0.13 1.30 0.08 0.00 0.00 0.00 0.00 23.12 24.62 3k1q s ALA 60 CO 0.81 -0.74 0.66 0.09 0.00 0.00 0.00 175.76 176.58 3k1q n ASN 61 N -1.51 1.61 -4.26 0.00 4.13 -1.26 -4.72 115.26 109.25 3k1q n ASN 61 Ca 0.04 -2.10 -0.43 0.00 1.68 0.00 0.00 54.58 53.77 3k1q n ASN 61 Cb 0.62 -0.52 -0.01 0.00 -1.54 0.00 0.00 39.78 38.33 3k1q n ASN 61 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3k1q n VAL 62 N 0.09 4.40 0.20 2.41 0.31 -1.26 -4.89 118.33 119.59 3k1q n VAL 62 Ca 0.03 -5.40 0.16 0.00 -0.01 0.00 0.00 64.34 59.12 3k1q n VAL 62 Cb 0.37 -2.50 0.64 0.00 -0.91 0.00 0.00 33.84 31.44 3k1q n VAL 62 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3k1q h LYS 63 N 6.39 0.00 0.06 5.55 6.56 -1.98 -0.81 116.57 132.35 3k1q h LYS 63 Ca 0.18 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.77 3k1q h LYS 63 Cb 0.83 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.49 3k1q h LYS 63 CO 1.03 0.00 -0.03 1.79 -2.06 0.00 0.00 179.45 180.18 3k1q h THR 64 N 0.00 1.06 -0.24 -0.16 1.35 -1.98 0.52 112.91 113.45 3k1q h THR 64 Ca 0.11 -0.42 -0.12 0.00 -0.55 0.00 0.00 66.41 65.43 3k1q h THR 64 Cb 1.21 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.96 3k1q h THR 64 CO -0.00 0.11 -0.34 0.16 -0.25 0.00 0.00 175.52 175.20 3k1q h ILE 65 N -0.27 1.29 -0.50 6.82 3.07 -1.61 -1.99 117.51 124.32 3k1q h ILE 65 Ca -0.01 -1.44 -0.02 0.00 1.55 0.00 0.00 64.86 64.94 3k1q h ILE 65 Cb 0.24 1.47 -0.02 0.00 -0.27 0.00 0.00 36.82 38.24 3k1q h ILE 65 CO 0.01 0.46 0.23 1.56 -1.05 0.00 0.00 178.15 179.36 3k1q h GLN 66 N 0.44 0.73 -0.37 0.16 7.50 -1.22 0.14 115.11 122.48 3k1q h GLN 66 Ca 0.05 -0.11 -0.05 0.00 0.50 0.00 0.00 58.65 59.04 3k1q h GLN 66 Cb 0.80 -0.13 -0.02 0.00 0.05 0.00 0.00 27.48 28.18 3k1q h GLN 66 CO 0.06 0.62 0.03 -0.44 -1.50 0.00 0.00 178.83 177.60 3k1q h ASP 67 N 0.66 0.53 -0.51 1.46 3.32 -0.98 -2.57 116.42 118.34 3k1q h ASP 67 Ca 0.17 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.14 3k1q h ASP 67 Cb 0.14 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3k1q h ASP 67 CO -0.02 0.58 0.32 0.28 -1.72 0.00 0.00 179.24 178.68 3k1q h SER 68 N 0.55 0.54 -0.83 6.45 0.02 -1.03 0.52 113.55 119.77 3k1q h SER 68 Ca 0.12 -0.01 0.21 0.00 -0.84 0.00 0.00 61.79 61.27 3k1q h SER 68 Cb 0.31 -0.12 -0.14 0.00 0.14 0.00 0.00 62.40 62.58 3k1q h SER 68 CO 0.01 0.39 0.09 0.45 -1.14 0.00 0.00 176.83 176.62 3k1q h HIS 69 N 0.65 0.09 0.10 3.45 3.86 -0.34 -0.48 115.15 122.48 3k1q h HIS 69 Ca 0.20 0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.46 3k1q h HIS 69 Cb -0.03 0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.54 3k1q h HIS 69 CO -0.05 -0.25 -0.06 0.00 0.86 0.00 0.00 177.93 178.43 3k1q h ALA 70 N 1.77 -0.98 -0.93 2.45 0.00 -1.09 -3.07 119.26 117.42 3k1q h ALA 70 Ca 0.49 -0.03 0.36 0.00 0.00 0.00 0.00 54.91 55.73 3k1q h ALA 70 Cb 0.92 0.13 -0.14 0.00 0.00 0.00 0.00 17.79 18.70 3k1q h ALA 70 CO -0.70 -0.97 0.54 0.00 0.00 0.00 0.00 179.25 178.13 3k1q h SER 72 N 0.00 0.23 -0.29 0.00 0.02 -0.98 0.23 113.55 112.76 3k1q h SER 72 Ca 0.71 0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 61.63 3k1q h SER 72 Cb 2.02 0.10 -0.08 0.00 0.14 0.00 0.00 62.40 64.58 3k1q h SER 72 CO -0.54 0.08 0.18 -2.11 -1.14 0.00 0.00 176.83 173.29 3k1q n ARG 73 N -5.03 1.48 -0.34 3.45 1.85 0.17 -4.35 116.66 113.89 3k1q n ARG 73 Ca 0.14 -0.92 0.18 0.00 -1.00 0.00 0.00 57.85 56.25 3k1q n ARG 73 Cb 0.41 -1.40 0.41 0.00 -1.05 0.00 0.00 32.46 30.83 3k1q n ARG 73 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 3k1q h GLN 74 N 0.41 0.55 -0.89 2.89 5.75 -0.46 0.12 115.11 123.48 3k1q h GLN 74 Ca 0.17 -0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.71 3k1q h GLN 74 Cb 1.49 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 29.86 3k1q h GLN 74 CO 0.31 0.36 0.58 -1.35 -2.65 0.00 0.00 178.83 176.09 3k1q h PRO 75 N 0.56 0.94 -0.04 -2.39 0.11 -1.82 -2.40 132.00 126.96 3k1q h PRO 75 Ca 0.63 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.59 3k1q h PRO 75 Cb 1.25 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 32.15 3k1q h PRO 75 CO -0.42 0.62 -0.33 -0.97 -0.21 0.00 0.00 178.00 176.69 3k1q h ASN 76 N 0.97 0.36 0.35 -2.05 -0.73 -1.29 0.06 115.58 113.24 3k1q h ASN 76 Ca 0.40 -0.70 -0.00 0.00 1.87 0.00 0.00 56.30 57.87 3k1q h ASN 76 Cb 0.27 -0.11 -0.03 0.00 0.27 0.00 0.00 38.32 38.73 3k1q h ASN 76 CO -0.16 1.00 -0.39 -0.08 -0.37 0.00 0.00 177.43 177.43 3k1q h GLU 77 N -0.26 -0.75 -0.81 6.67 4.81 -0.92 -1.55 114.58 121.78 3k1q h GLU 77 Ca -0.03 0.05 0.14 0.00 -0.13 0.00 0.00 59.36 59.39 3k1q h GLU 77 Cb 1.02 0.17 -0.09 0.00 0.63 0.00 0.00 28.75 30.48 3k1q h GLU 77 CO 0.07 -0.50 0.38 0.00 -0.73 0.00 0.00 179.01 178.23 3k1q h ALA 78 N -0.37 1.18 -0.41 2.92 0.00 -1.37 -1.16 119.26 120.05 3k1q h ALA 78 Ca -0.02 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3k1q h ALA 78 Cb 0.71 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3k1q h ALA 78 CO -0.09 -0.13 0.12 -0.84 0.00 0.00 0.00 179.25 178.31 3k1q h ILE 79 N 0.56 1.22 0.22 0.00 3.07 -0.98 -1.16 117.51 120.44 3k1q h ILE 79 Ca 0.44 -0.74 0.00 0.00 1.55 0.00 0.00 64.86 66.11 3k1q h ILE 79 Cb 0.63 0.92 -0.02 0.00 -0.27 0.00 0.00 36.82 38.08 3k1q h ILE 79 CO -0.37 0.26 -0.23 -0.09 -1.05 0.00 0.00 178.15 176.67 3k1q h ARG 80 N 0.53 -0.48 -0.67 0.16 1.12 -0.60 -0.35 114.38 114.09 3k1q h ARG 80 Ca 0.13 0.03 0.03 0.00 -1.11 0.00 0.00 59.98 59.07 3k1q h ARG 80 Cb 0.28 0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 30.30 3k1q h ARG 80 CO -0.00 -0.32 0.41 0.77 -3.11 0.00 0.00 179.97 177.72 3k1q h SER 81 N -0.49 0.66 -0.31 -3.80 0.02 -1.05 -1.94 113.55 106.64 3k1q h SER 81 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3k1q h SER 81 Cb 0.46 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3k1q h SER 81 CO -0.06 0.46 0.15 0.25 -1.14 0.00 0.00 176.83 176.49 3k1q h LEU 82 N 0.80 0.40 -0.50 5.07 5.85 -0.91 0.10 115.31 126.13 3k1q h LEU 82 Ca 0.27 -0.12 -0.14 0.00 0.84 0.00 0.00 57.88 58.74 3k1q h LEU 82 Cb 0.04 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3k1q h LEU 82 CO -0.12 0.41 -0.25 0.58 -0.34 0.00 0.00 178.44 178.72 3k1q h VAL 83 N 0.37 1.27 0.12 1.05 2.07 -1.02 -0.23 116.25 119.88 3k1q h VAL 83 Ca 0.11 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.22 3k1q h VAL 83 Cb 0.11 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3k1q h VAL 83 CO -0.01 0.48 -0.30 -0.33 0.02 0.00 0.00 177.57 177.43 3k1q h GLU 84 N 0.83 -0.45 -0.22 1.57 4.39 -0.30 -1.86 114.58 118.54 3k1q h GLU 84 Ca 0.10 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.85 3k1q h GLU 84 Cb 0.83 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.55 3k1q h GLU 84 CO 0.07 -0.30 -0.13 0.28 -1.16 0.00 0.00 179.01 177.78 3k1q n VAL 85 N -4.16 -0.15 -0.03 3.13 0.31 0.20 -1.14 118.33 116.49 3k1q n VAL 85 Ca -0.05 1.29 0.18 0.00 -0.01 0.00 0.00 64.34 65.75 3k1q n VAL 85 Cb 0.24 -1.67 0.63 0.00 -0.91 0.00 0.00 33.84 32.13 3k1q n VAL 85 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3k1q h SER 86 N 0.00 0.13 -1.04 4.52 0.02 -0.85 0.75 113.55 117.08 3k1q h SER 86 Ca 0.03 0.01 -0.67 0.00 -0.84 0.00 0.00 61.79 60.32 3k1q h SER 86 Cb 0.09 -0.02 -0.30 0.00 0.14 0.00 0.00 62.40 62.30 3k1q h SER 86 CO -0.20 0.07 0.71 0.47 -1.14 0.00 0.00 176.83 176.73 3k1q n ASP 87 N -4.42 7.40 0.00 3.07 8.00 -0.29 -4.04 116.55 126.28 3k1q n ASP 87 Ca 0.10 -3.79 0.00 0.00 0.71 0.00 0.00 54.79 51.81 3k1q n ASP 87 Cb 0.54 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 3k1q n ASP 87 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3k1q n LYS 88 N -0.87 0.00 -3.65 -1.24 5.02 -0.58 -1.69 118.16 115.15 3k1q n LYS 88 Ca 0.60 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.89 3k1q n LYS 88 Cb 0.67 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.61 3k1q n LYS 88 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k1q s ALA 89 N -1.80 -2.43 0.26 7.82 0.00 0.26 -3.31 121.76 122.56 3k1q s ALA 89 Ca 0.00 2.07 -0.20 0.00 0.00 0.00 0.00 51.96 53.82 3k1q s ALA 89 Cb 0.00 -1.82 0.06 0.00 0.00 0.00 0.00 23.12 21.36 3k1q s ALA 89 CO 0.00 -0.32 0.91 1.14 0.00 0.00 0.00 175.76 177.49 3k1q s GLN 90 N 1.10 1.65 -0.49 0.00 1.03 -1.26 -4.00 119.66 117.68 3k1q s GLN 90 Ca -0.07 -1.02 -0.18 0.00 0.04 0.00 0.00 55.36 54.12 3k1q s GLN 90 Cb -0.03 0.49 -0.12 0.00 0.03 0.00 0.00 33.01 33.38 3k1q s GLN 90 CO -0.12 -0.77 1.41 0.25 -2.54 0.00 0.00 175.29 173.52 3k1q n THR 91 N -0.57 0.00 -1.63 3.63 -2.24 -1.26 -4.77 114.28 107.44 3k1q n THR 91 Ca -0.05 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.33 3k1q n THR 91 Cb 0.60 -0.27 0.04 0.00 -2.10 0.00 0.00 70.33 68.59 3k1q n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q n ALA 92 N 5.39 0.39 -1.62 6.98 0.00 -1.26 -4.77 120.51 125.62 3k1q n ALA 92 Ca 0.35 0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.74 3k1q n ALA 92 Cb 0.01 -2.13 -0.11 0.00 0.00 0.00 0.00 19.45 17.21 3k1q n ALA 92 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3k1q s LEU 93 N -1.63 2.40 -0.72 0.00 2.96 -1.26 -4.84 118.68 115.58 3k1q s LEU 93 Ca 0.70 -0.96 -0.23 0.00 -0.22 0.00 0.00 54.13 53.42 3k1q s LEU 93 Cb -0.46 -2.60 0.07 0.00 0.50 0.00 0.00 46.19 43.70 3k1q s LEU 93 CO 0.51 -4.70 1.06 -0.69 -1.32 0.00 0.00 176.35 171.22 3k1q s VAL 94 N 16.82 4.24 0.49 1.68 1.01 -1.26 -4.85 120.40 138.53 3k1q s VAL 94 Ca 0.82 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3k1q s VAL 94 Cb -0.05 -4.76 0.00 0.00 0.00 0.00 0.00 36.38 31.57 3k1q s VAL 94 CO 0.18 -1.56 0.00 0.61 0.00 0.00 0.00 175.10 174.33 3k1q n GLY 95 N 5.44 -3.52 2.86 4.51 0.00 -1.26 -1.55 105.19 111.67 3k1q n GLY 95 Ca 0.02 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.82 3k1q n GLY 95 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k1q s SER 96 N -5.85 0.68 0.10 1.61 0.15 -1.26 -1.98 113.70 107.15 3k1q s SER 96 Ca 0.00 -0.08 -0.31 0.00 0.70 0.00 0.00 55.95 56.26 3k1q s SER 96 Cb 0.00 -0.34 -0.12 0.00 -1.71 0.00 0.00 66.02 63.85 3k1q s SER 96 CO 0.00 -0.07 1.49 0.03 1.20 0.00 0.00 173.24 175.89 3k1q h ARG 97 N 7.18 -0.58 -1.91 5.44 3.08 -1.88 -3.33 114.38 122.38 3k1q h ARG 97 Ca -0.41 0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.64 3k1q h ARG 97 Cb 1.14 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.31 3k1q h ARG 97 CO 0.48 -0.38 0.06 0.25 -1.07 0.00 0.00 179.97 179.30 3k1q n THR 98 N -5.13 2.08 0.00 2.04 -2.24 -1.26 -4.92 114.28 104.85 3k1q n THR 98 Ca -0.07 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 3k1q n THR 98 Cb 0.35 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.12 3k1q n THR 98 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3k1q n VAL 99 N 1.32 0.00 -2.88 2.28 0.31 -1.25 -4.08 118.33 114.03 3k1q n VAL 99 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3k1q n VAL 99 Cb 0.51 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.45 3k1q n VAL 99 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3k1q s ASP 100 N -4.00 -0.81 -0.06 4.52 2.15 -1.26 -4.89 116.67 112.32 3k1q s ASP 100 Ca 0.00 -0.57 0.13 0.00 0.43 0.00 0.00 52.55 52.55 3k1q s ASP 100 Cb 0.00 1.04 0.48 0.00 -0.30 0.00 0.00 42.92 44.14 3k1q s ASP 100 CO 0.00 -0.07 1.36 -1.22 -0.17 0.00 0.00 175.17 175.07 3k1q n TYR 101 N 3.62 0.93 -4.24 -5.34 4.02 -0.33 -4.92 117.16 110.91 3k1q n TYR 101 Ca 0.10 -0.39 -0.13 0.00 -0.01 0.00 0.00 57.90 57.46 3k1q n TYR 101 Cb 0.61 -0.13 -0.10 0.00 -0.02 0.00 0.00 39.34 39.69 3k1q n TYR 101 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 176.86 172.47 3k1q s HIS 102 N -1.63 1.20 -0.14 -0.72 -3.43 -1.26 -1.01 115.29 108.29 3k1q s HIS 102 Ca 0.35 -0.91 -0.12 0.00 -0.80 0.00 0.00 55.06 53.57 3k1q s HIS 102 Cb 0.21 -0.67 0.04 0.00 -1.43 0.00 0.00 32.58 30.73 3k1q s HIS 102 CO 0.18 -0.10 0.37 -2.00 -2.00 0.00 0.00 174.74 171.20 3k1q s GLU 103 N -3.85 0.43 -0.73 -0.38 2.56 -0.45 -5.02 118.70 111.26 3k1q s GLU 103 Ca 0.20 0.54 -0.06 0.00 0.00 0.00 0.00 54.97 55.65 3k1q s GLU 103 Cb 0.05 0.18 0.19 0.00 2.00 0.00 0.00 34.13 36.55 3k1q s GLU 103 CO 0.02 -0.06 0.59 -1.17 -0.56 0.00 0.00 175.26 174.08 3k1q s LEU 104 N 0.33 5.73 -1.04 2.70 2.96 -1.26 -2.06 118.68 126.04 3k1q s LEU 104 Ca -0.01 -2.95 -0.09 0.00 -0.22 0.00 0.00 54.13 50.86 3k1q s LEU 104 Cb -0.03 -1.97 0.26 0.00 0.50 0.00 0.00 46.19 44.95 3k1q s LEU 104 CO -0.01 -0.40 1.02 -1.81 -1.32 0.00 0.00 176.35 173.83 3k1q s ASP 105 N 0.99 7.05 0.00 3.68 -0.00 0.11 -4.93 116.67 123.57 3k1q s ASP 105 Ca 0.19 -3.50 -0.02 0.00 -0.00 0.00 0.00 52.55 49.22 3k1q s ASP 105 Cb -0.16 -2.16 -0.10 0.00 -0.00 0.00 0.00 42.92 40.50 3k1q s ASP 105 CO -0.06 -0.31 2.09 1.33 -0.00 0.00 0.00 175.17 178.22 3k1q n VAL 106 N 2.81 1.78 -3.22 -1.27 0.24 -1.26 -1.65 118.33 115.76 3k1q n VAL 106 Ca 0.22 -0.72 -0.35 0.00 -2.04 0.00 0.00 64.34 61.45 3k1q n VAL 106 Cb 0.40 -1.61 -0.03 0.00 -1.47 0.00 0.00 33.84 31.12 3k1q n VAL 106 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3k1q n LYS 107 N 2.16 3.51 0.00 7.34 5.02 -1.26 -4.83 118.16 130.10 3k1q n LYS 107 Ca 0.16 -4.61 0.00 0.00 -2.02 0.00 0.00 58.31 51.83 3k1q n LYS 107 Cb 0.51 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 3k1q n LYS 107 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k1q n ALA 108 N 1.12 0.00 -2.60 7.82 0.00 -1.26 -4.50 120.51 121.09 3k1q n ALA 108 Ca 0.28 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.31 3k1q n ALA 108 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 3k1q n ALA 108 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3k1q s GLY 109 N 0.00 1.82 -0.80 0.00 0.00 -1.26 -4.12 107.32 102.97 3k1q s GLY 109 Ca 0.00 -0.71 -0.25 0.00 0.00 0.00 0.00 44.72 43.76 3k1q s GLY 109 CO 0.00 1.28 1.64 -1.36 0.00 0.00 0.00 173.10 174.67 3k1q s PHE 110 N 2.38 2.04 -1.00 1.90 0.40 0.21 -4.81 117.98 119.10 3k1q s PHE 110 Ca 0.21 0.19 -0.23 0.00 -0.60 0.00 0.00 56.93 56.50 3k1q s PHE 110 Cb -0.15 -4.35 -0.01 0.00 0.51 0.00 0.00 43.02 39.02 3k1q s PHE 110 CO 0.11 -2.04 1.76 0.08 0.70 0.00 0.00 175.22 175.83 3k1q s VAL 111 N 7.59 3.66 -0.59 -0.44 1.01 -0.66 -2.30 120.40 128.67 3k1q s VAL 111 Ca 0.55 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.89 3k1q s VAL 111 Cb -0.07 -4.50 0.15 0.00 0.00 0.00 0.00 36.38 31.96 3k1q s VAL 111 CO 0.08 -1.36 0.36 0.00 0.00 0.00 0.00 175.10 174.18 3k1q s ALA 112 N 8.06 3.48 0.15 5.51 0.00 0.13 0.05 121.76 139.14 3k1q s ALA 112 Ca 0.61 -3.34 -0.30 0.00 0.00 0.00 0.00 51.96 48.93 3k1q s ALA 112 Cb -0.03 -2.37 -0.07 0.00 0.00 0.00 0.00 23.12 20.64 3k1q s ALA 112 CO -0.02 -2.07 1.16 -1.25 0.00 0.00 0.00 175.76 173.58 3k1q s PRO 113 N -0.34 4.52 -0.25 0.00 0.04 -0.87 -0.86 135.00 137.23 3k1q s PRO 113 Ca 0.18 1.78 -0.05 0.00 0.04 0.00 0.00 61.00 62.95 3k1q s PRO 113 Cb -0.22 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.04 3k1q s PRO 113 CO -0.03 -0.06 0.01 0.99 0.04 0.00 0.00 177.00 177.95 3k1q s THR 114 N 0.14 3.58 -0.12 1.26 2.01 0.12 -1.34 115.64 121.29 3k1q s THR 114 Ca 0.53 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.91 3k1q s THR 114 Cb -0.30 -2.75 0.02 0.00 0.01 0.00 0.00 72.50 69.48 3k1q s THR 114 CO 0.34 0.26 -0.12 0.00 -0.69 0.00 0.00 174.62 174.41 3k1q s ALA 115 N 1.47 1.59 0.00 7.40 0.00 -0.18 -0.55 121.76 131.50 3k1q s ALA 115 Ca 0.04 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.29 3k1q s ALA 115 Cb -0.16 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.05 3k1q s ALA 115 CO -0.01 -0.28 0.00 -3.47 0.00 0.00 0.00 175.76 172.00 3k1q n ASP 116 N 4.62 0.00 -3.59 0.00 -0.08 0.83 -3.65 116.55 114.69 3k1q n ASP 116 Ca -0.16 0.00 -0.31 0.00 -1.51 0.00 0.00 54.79 52.81 3k1q n ASP 116 Cb 0.50 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.90 3k1q n ASP 116 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3k1q n GLU 117 N 0.00 2.98 0.00 -0.67 1.02 -1.26 -4.25 120.64 118.45 3k1q n GLU 117 Ca 0.00 -4.64 0.00 0.00 -0.02 0.00 0.00 57.16 52.50 3k1q n GLU 117 Cb 0.00 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.10 3k1q n GLU 117 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3k1q n THR 118 N 1.02 0.00 -3.90 2.62 -2.24 -1.24 -4.14 114.28 106.40 3k1q n THR 118 Ca 0.29 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.09 3k1q n THR 118 Cb 0.39 -0.02 0.01 0.00 -2.10 0.00 0.00 70.33 68.61 3k1q n THR 118 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3k1q s ILE 119 N 0.00 0.00 -0.50 2.28 -4.36 -0.72 -1.19 121.20 116.71 3k1q s ILE 119 Ca 0.00 -0.16 0.03 0.00 -0.26 0.00 0.00 60.65 60.26 3k1q s ILE 119 Cb 0.00 -2.73 0.14 0.00 1.25 0.00 0.00 42.46 41.13 3k1q s ILE 119 CO 0.00 0.00 0.30 0.00 0.24 0.00 0.00 174.94 175.48 3k1q s ALA 120 N -2.10 2.63 0.24 2.27 0.00 -1.21 -0.89 121.76 122.71 3k1q s ALA 120 Ca 0.26 -2.96 -0.06 0.00 0.00 0.00 0.00 51.96 49.20 3k1q s ALA 120 Cb 0.01 -1.97 0.24 0.00 0.00 0.00 0.00 23.12 21.40 3k1q s ALA 120 CO -0.02 -2.05 1.83 -1.00 0.00 0.00 0.00 175.76 174.52 3k1q h PRO 121 N 6.32 1.17 -6.63 0.00 0.13 -1.88 -3.46 132.00 127.64 3k1q h PRO 121 Ca 0.03 -0.17 -0.57 0.00 -0.87 0.00 0.00 66.00 64.43 3k1q h PRO 121 Cb 0.88 -0.21 0.08 0.00 0.13 0.00 0.00 31.00 31.88 3k1q h PRO 121 CO 0.56 0.90 0.74 0.45 -0.23 0.00 0.00 178.00 180.42 3k1q n SER 122 N -4.31 3.18 -0.06 1.44 2.88 -1.11 -4.93 113.62 110.71 3k1q n SER 122 Ca 0.08 1.13 -0.07 0.00 -1.33 0.00 0.00 58.87 58.68 3k1q n SER 122 Cb 0.14 -1.48 -0.08 0.00 -0.75 0.00 0.00 64.21 62.04 3k1q n SER 122 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3k1q n LYS 123 N 2.42 1.62 0.00 -1.46 3.00 -1.26 -5.00 118.16 117.48 3k1q n LYS 123 Ca 0.12 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 3k1q n LYS 123 Cb 0.33 -1.27 0.00 0.00 0.00 0.00 0.00 35.03 34.09 3k1q n LYS 123 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3k1q n ASP 124 N -2.56 0.00 0.00 3.14 8.00 -1.26 -4.87 116.55 119.00 3k1q n ASP 124 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 3k1q n ASP 124 Cb 0.81 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 3k1q n ASP 124 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3k1q n ILE 125 N 0.00 0.00 -0.56 0.53 -5.35 -1.26 -3.99 119.36 108.73 3k1q n ILE 125 Ca 0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.18 3k1q n ILE 125 Cb 0.00 0.00 0.22 0.00 -1.74 0.00 0.00 39.64 38.12 3k1q n ILE 125 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3k1q n VAL 126 N 0.00 0.00 -2.70 7.28 0.31 -1.21 -1.53 118.33 120.48 3k1q n VAL 126 Ca 0.00 -0.37 -0.14 0.00 -0.01 0.00 0.00 64.34 63.82 3k1q n VAL 126 Cb 0.00 -0.85 0.02 0.00 -0.91 0.00 0.00 33.84 32.10 3k1q n VAL 126 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3k1q n GLU 127 N -3.86 -2.90 -0.31 5.55 1.02 -1.22 -3.90 120.64 115.02 3k1q n GLU 127 Ca 0.03 0.56 0.12 0.00 -0.02 0.00 0.00 57.16 57.85 3k1q n GLU 127 Cb 0.57 -4.69 0.35 0.00 -0.02 0.00 0.00 31.44 27.64 3k1q n GLU 127 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3k1q h LEU 128 N -0.81 0.72 -8.16 -4.62 5.85 -1.56 -2.40 115.31 104.34 3k1q h LEU 128 Ca -0.32 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.37 3k1q h LEU 128 Cb 1.22 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 3k1q h LEU 128 CO 0.35 0.32 0.26 -2.16 -0.34 0.00 0.00 178.44 176.87 3k1q s PRO 129 N -5.76 1.61 -0.97 5.25 0.04 -1.26 -4.36 135.00 129.57 3k1q s PRO 129 Ca -0.10 -0.25 -0.09 0.00 0.04 0.00 0.00 61.00 60.60 3k1q s PRO 129 Cb 0.23 -4.97 0.08 0.00 0.04 0.00 0.00 34.50 29.88 3k1q s PRO 129 CO 0.80 -4.79 0.30 1.19 0.04 0.00 0.00 177.00 174.54 3k1q n PHE 130 N 18.12 -1.68 -4.33 0.56 3.72 -1.24 -4.95 117.46 127.66 3k1q n PHE 130 Ca 0.43 0.31 -0.17 0.00 -0.05 0.00 0.00 57.45 57.98 3k1q n PHE 130 Cb 0.46 -2.03 -0.10 0.00 -0.94 0.00 0.00 39.48 36.86 3k1q n PHE 130 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3k1q s ARG 131 N -5.85 1.36 -0.17 -1.08 1.81 -0.90 -5.05 118.95 109.07 3k1q s ARG 131 Ca 0.32 -1.70 -0.29 0.00 -1.72 0.00 0.00 55.73 52.34 3k1q s ARG 131 Cb -0.18 -0.50 -0.01 0.00 -0.45 0.00 0.00 34.95 33.80 3k1q s ARG 131 CO 0.40 -0.16 1.24 0.95 -0.68 0.00 0.00 175.30 177.05 3k1q s THR 132 N -3.53 4.32 0.18 0.02 -4.23 -1.24 -4.40 115.64 106.75 3k1q s THR 132 Ca 0.31 1.59 -0.16 0.00 -1.18 0.00 0.00 61.69 62.26 3k1q s THR 132 Cb 0.07 -4.03 0.16 0.00 1.34 0.00 0.00 72.50 70.04 3k1q s THR 132 CO 0.10 -0.14 1.24 0.00 -0.54 0.00 0.00 174.62 175.29 3k1q s ASP 134 N -5.30 6.33 1.58 0.00 1.01 -1.26 -4.02 116.67 115.01 3k1q s ASP 134 Ca -0.11 -2.14 0.00 0.00 0.71 0.00 0.00 52.55 51.01 3k1q s ASP 134 Cb 0.15 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 41.90 3k1q s ASP 134 CO 0.56 -0.73 0.00 0.18 0.21 0.00 0.00 175.17 175.39 3k1q n LEU 135 N 4.73 0.00 -1.57 1.23 4.77 -1.16 -0.25 117.00 124.75 3k1q n LEU 135 Ca -0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 3k1q n LEU 135 Cb 0.42 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.69 3k1q n LEU 135 CO 0.45 0.00 0.86 -0.67 -1.33 0.00 0.00 177.39 176.71 3k1q n ASP 136 N 7.10 3.26 -0.04 -1.43 2.03 -1.26 -3.73 116.55 122.49 3k1q n ASP 136 Ca 0.00 -3.75 -0.03 0.00 0.52 0.00 0.00 54.79 51.52 3k1q n ASP 136 Cb 0.00 -0.70 -0.07 0.00 -0.72 0.00 0.00 41.12 39.63 3k1q n ASP 136 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3k1q n ASP 137 N -1.10 2.73 -0.10 1.67 5.75 0.65 -4.49 116.55 121.67 3k1q n ASP 137 Ca 0.43 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 55.24 3k1q n ASP 137 Cb 1.17 0.81 0.06 0.00 -1.03 0.00 0.00 41.12 42.13 3k1q n ASP 137 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3k1q n SER 138 N -2.28 -0.06 0.19 -1.12 7.64 -1.05 -1.28 113.62 115.65 3k1q n SER 138 Ca -0.14 0.46 -0.16 0.00 1.01 0.00 0.00 58.87 60.05 3k1q n SER 138 Cb 0.74 -0.16 -0.08 0.00 -1.01 0.00 0.00 64.21 63.70 3k1q n SER 138 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3k1q h SER 139 N 0.00 -1.25 -0.18 6.43 4.64 -1.90 -0.08 113.55 121.20 3k1q h SER 139 Ca 0.15 0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.51 3k1q h SER 139 Cb 0.28 0.44 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3k1q h SER 139 CO -0.26 -0.55 -0.22 0.00 -0.87 0.00 0.00 176.83 174.93 3k1q h ALA 140 N -0.42 0.27 -0.19 5.18 0.00 -1.73 -3.25 119.26 119.12 3k1q h ALA 140 Ca -0.01 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 3k1q h ALA 140 Cb 0.74 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3k1q h ALA 140 CO -0.16 0.22 -0.44 1.79 0.00 0.00 0.00 179.25 180.66 3k1q h THR 141 N 0.13 1.31 -0.01 0.00 1.35 -0.85 -2.16 112.91 112.68 3k1q h THR 141 Ca 0.02 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.26 3k1q h THR 141 Cb 0.77 1.65 -0.00 0.00 -1.73 0.00 0.00 68.15 68.84 3k1q h THR 141 CO 0.05 0.50 0.01 0.00 -0.25 0.00 0.00 175.52 175.83 3k1q h ALA 142 N 1.15 1.66 -0.51 6.62 0.00 -1.09 0.42 119.26 127.52 3k1q h ALA 142 Ca 0.03 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3k1q h ALA 142 Cb 0.93 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 3k1q h ALA 142 CO 0.08 -0.01 -0.52 0.00 0.00 0.00 0.00 179.25 178.80 3k1q h VAL 144 N -0.31 0.98 0.00 0.00 2.07 -1.41 -2.96 116.25 114.61 3k1q h VAL 144 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 3k1q h VAL 144 Cb 0.57 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3k1q h VAL 144 CO -0.65 0.00 0.00 0.54 0.02 0.00 0.00 177.57 177.48 3k1q n ARG 145 N -5.10 0.86 0.01 1.57 1.74 0.06 -0.35 116.66 115.45 3k1q n ARG 145 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 3k1q n ARG 145 Cb 0.04 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 3k1q n ARG 145 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3k1q n ASN 146 N 0.07 0.00 -0.07 0.55 2.85 -0.67 -2.03 115.26 115.96 3k1q n ASN 146 Ca 0.00 0.05 -0.20 0.00 -0.11 0.00 0.00 54.58 54.31 3k1q n ASN 146 Cb 0.21 0.03 -0.12 0.00 1.24 0.00 0.00 39.78 41.14 3k1q n ASN 146 CO 0.00 0.00 0.00 -0.74 -2.11 0.00 0.00 177.26 174.41 3k1q h HIS 147 N 0.00 0.11 0.13 1.20 6.17 -1.38 -3.39 115.15 117.99 3k1q h HIS 147 Ca 0.00 -0.08 -0.01 0.00 0.71 0.00 0.00 60.37 60.99 3k1q h HIS 147 Cb 0.15 -0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.08 3k1q h HIS 147 CO 0.00 1.44 -0.06 0.00 0.71 0.00 0.00 177.93 180.02 3k1q n GLN 149 N -3.72 0.73 -1.54 0.00 7.27 0.53 -1.39 117.38 119.26 3k1q n GLN 149 Ca -0.02 -2.89 -0.26 0.00 0.07 0.00 0.00 57.00 53.90 3k1q n GLN 149 Cb 0.07 -1.27 -0.10 0.00 2.41 0.00 0.00 30.24 31.35 3k1q n GLN 149 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3k1q n ALA 150 N 1.44 0.61 -0.91 1.69 0.00 -1.24 -3.76 120.51 118.33 3k1q n ALA 150 Ca 0.18 -0.99 -0.17 0.00 0.00 0.00 0.00 53.44 52.47 3k1q n ALA 150 Cb 0.55 -2.96 0.03 0.00 0.00 0.00 0.00 19.45 17.07 3k1q n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1q n GLY 151 N 6.29 4.07 1.05 0.00 0.00 -0.86 -4.12 105.19 111.62 3k1q n GLY 151 Ca 0.50 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3k1q n GLY 151 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3k1q n HIS 152 N 0.42 0.00 -0.63 1.61 8.25 -0.06 -2.77 115.22 122.04 3k1q n HIS 152 Ca 0.30 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.48 3k1q n HIS 152 Cb 0.58 0.18 0.16 0.00 1.12 0.00 0.00 29.99 32.02 3k1q n HIS 152 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3k1q n ASP 153 N -2.05 -2.67 0.00 0.41 5.68 -1.04 -0.40 116.55 116.49 3k1q n ASP 153 Ca 0.00 -0.23 0.00 0.00 -0.50 0.00 0.00 54.79 54.06 3k1q n ASP 153 Cb 0.00 -0.87 0.00 0.00 -1.14 0.00 0.00 41.12 39.11 3k1q n ASP 153 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k1q n GLY 154 N 2.25 -0.52 0.00 6.12 0.00 -1.25 -1.76 105.19 110.03 3k1q n GLY 154 Ca 0.02 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3k1q n GLY 154 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k1q n VAL 155 N 0.00 0.00 -1.89 1.61 0.31 -1.26 -2.67 118.33 114.43 3k1q n VAL 155 Ca 0.00 1.08 -0.38 0.00 -0.01 0.00 0.00 64.34 65.02 3k1q n VAL 155 Cb 0.00 -1.96 0.04 0.00 -0.91 0.00 0.00 33.84 31.01 3k1q n VAL 155 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3k1q n ILE 156 N -0.88 3.52 -3.96 2.52 -5.35 -1.26 -3.90 119.36 110.05 3k1q n ILE 156 Ca 0.00 -4.19 -0.19 0.00 -0.27 0.00 0.00 62.75 58.10 3k1q n ILE 156 Cb 0.00 -1.23 -0.16 0.00 -1.74 0.00 0.00 39.64 36.50 3k1q n ILE 156 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 3k1q s HIS 157 N -4.01 0.47 0.00 4.28 3.76 -1.09 -4.35 115.29 114.35 3k1q s HIS 157 Ca 0.53 -0.07 -0.00 0.00 -0.15 0.00 0.00 55.06 55.37 3k1q s HIS 157 Cb 0.44 -0.54 0.00 0.00 1.11 0.00 0.00 32.58 33.60 3k1q s HIS 157 CO -0.36 -0.18 0.01 -0.11 -0.85 0.00 0.00 174.74 173.25 3k1q n LEU 158 N 4.31 -3.04 -3.91 0.89 7.94 -1.26 -3.75 117.00 118.18 3k1q n LEU 158 Ca -0.22 1.79 -0.43 0.00 -1.11 0.00 0.00 56.01 56.05 3k1q n LEU 158 Cb 0.50 -2.27 0.01 0.00 0.53 0.00 0.00 43.42 42.19 3k1q n LEU 158 CO 0.20 -2.22 1.61 -0.81 -1.11 0.00 0.00 177.39 175.07 3k1q n PRO 159 N 1.96 4.02 0.00 1.96 -0.04 -1.26 -3.59 135.00 138.05 3k1q n PRO 159 Ca -0.01 -3.97 0.00 0.00 -0.04 0.00 0.00 63.50 59.47 3k1q n PRO 159 Cb 0.02 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 3k1q n PRO 159 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3k1q n ILE 160 N 2.41 0.00 1.09 0.52 -5.35 -0.44 -1.83 119.36 115.76 3k1q n ILE 160 Ca 0.34 0.31 0.03 0.00 -0.27 0.00 0.00 62.75 63.16 3k1q n ILE 160 Cb 0.35 -0.78 0.17 0.00 -1.74 0.00 0.00 39.64 37.64 3k1q n ILE 160 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3k1q n LEU 161 N -0.16 0.00 -3.76 7.28 4.77 0.22 -1.41 117.00 123.95 3k1q n LEU 161 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 3k1q n LEU 161 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 3k1q n LEU 161 CO 0.00 0.00 -0.19 -0.55 -1.33 0.00 0.00 177.39 175.32 3k1q s SER 162 N -1.64 3.76 0.00 -1.43 0.15 -0.47 -2.02 113.70 112.05 3k1q s SER 162 Ca 0.09 -3.03 0.00 0.00 0.70 0.00 0.00 55.95 53.71 3k1q s SER 162 Cb 0.04 -1.20 0.00 0.00 -1.71 0.00 0.00 66.02 63.15 3k1q s SER 162 CO 0.07 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.91 3k1q n GLY 163 N 3.02 2.06 2.70 9.45 0.00 -0.97 -4.70 105.19 116.74 3k1q n GLY 163 Ca 0.13 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 3k1q n GLY 163 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k1q n ASP 164 N 0.00 7.26 0.00 1.61 5.68 -0.55 -4.94 116.55 125.61 3k1q n ASP 164 Ca 0.00 -3.55 0.00 0.00 -0.50 0.00 0.00 54.79 50.74 3k1q n ASP 164 Cb 0.00 -1.17 0.00 0.00 -1.14 0.00 0.00 41.12 38.81 3k1q n ASP 164 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3k1q n PHE 165 N 0.21 0.00 -3.92 2.11 3.01 -0.50 -3.87 117.46 114.49 3k1q n PHE 165 Ca 0.52 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.68 3k1q n PHE 165 Cb 0.33 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.64 3k1q n PHE 165 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3k1q s LYS 166 N -1.49 1.55 0.00 -1.08 -0.14 -1.26 -4.28 119.74 113.03 3k1q s LYS 166 Ca 0.00 -0.88 0.27 0.00 -1.36 0.00 0.00 55.97 53.99 3k1q s LYS 166 Cb 0.00 -2.48 1.38 0.00 -1.68 0.00 0.00 37.83 35.05 3k1q s LYS 166 CO 0.00 -0.57 1.91 1.28 -0.76 0.00 0.00 175.35 177.21 3k1q n LEU 167 N 4.72 0.00 0.01 3.17 4.32 -1.25 -0.71 117.00 127.26 3k1q n LEU 167 Ca -0.12 0.25 0.22 0.00 -0.02 0.00 0.00 56.01 56.34 3k1q n LEU 167 Cb 0.45 -0.25 0.73 0.00 -1.62 0.00 0.00 43.42 42.73 3k1q n LEU 167 CO 0.18 -0.03 1.20 -0.65 -1.22 0.00 0.00 177.39 176.86 3k1q h PRO 168 N 0.00 0.00 0.00 3.23 0.11 -1.88 -3.15 132.00 130.31 3k1q h PRO 168 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 3k1q h PRO 168 Cb 0.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 3k1q h PRO 168 CO 0.00 0.00 -1.28 0.09 -0.21 0.00 0.00 178.00 176.60 3k1q n ASN 169 N -3.97 3.95 -4.71 -2.05 4.13 -0.17 -2.02 115.26 110.42 3k1q n ASN 169 Ca 0.11 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 56.02 3k1q n ASN 169 Cb 0.71 0.67 -0.08 0.00 -1.54 0.00 0.00 39.78 39.53 3k1q n ASN 169 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3k1q s GLU 170 N -2.13 4.08 0.21 3.52 2.02 0.11 -4.84 118.70 121.68 3k1q s GLU 170 Ca -0.02 -0.25 -0.07 0.00 0.02 0.00 0.00 54.97 54.65 3k1q s GLU 170 Cb 0.01 -3.34 0.33 0.00 0.10 0.00 0.00 34.13 31.24 3k1q s GLU 170 CO 0.18 0.32 1.19 1.58 0.02 0.00 0.00 175.26 178.54 3k1q n HIS 171 N 3.44 0.25 -0.09 1.61 -0.00 -1.26 -4.49 115.22 114.68 3k1q n HIS 171 Ca -0.16 0.93 0.00 0.00 0.46 0.00 0.00 57.72 58.95 3k1q n HIS 171 Cb 0.52 -0.93 0.00 0.00 -0.12 0.00 0.00 29.99 29.47 3k1q n HIS 171 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 3k1q n PRO 172 N -5.23 0.56 -4.35 1.57 -0.04 -1.26 -3.69 135.00 122.56 3k1q n PRO 172 Ca 0.12 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.31 3k1q n PRO 172 Cb 0.37 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.73 3k1q n PRO 172 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3k1q s THR 173 N -0.20 2.84 -0.32 0.52 -4.23 -1.26 -2.26 115.64 110.73 3k1q s THR 173 Ca 0.00 -1.83 -0.06 0.00 -1.18 0.00 0.00 61.69 58.61 3k1q s THR 173 Cb 0.00 -2.40 0.03 0.00 1.34 0.00 0.00 72.50 71.47 3k1q s THR 173 CO 0.00 -0.12 0.09 -0.54 -0.54 0.00 0.00 174.62 173.51 3k1q s LYS 174 N -2.80 2.80 0.34 3.99 1.02 0.08 -4.90 119.74 120.27 3k1q s LYS 174 Ca 0.23 -1.06 -0.27 0.00 0.02 0.00 0.00 55.97 54.90 3k1q s LYS 174 Cb -0.08 -3.41 -0.09 0.00 -0.52 0.00 0.00 37.83 33.72 3k1q s LYS 174 CO 0.13 -0.58 1.10 -2.14 -0.92 0.00 0.00 175.35 172.94 3k1q s PRO 175 N 1.44 4.37 -0.52 -1.68 0.02 -1.26 -2.06 135.00 135.30 3k1q s PRO 175 Ca -0.00 1.72 -0.22 0.00 0.02 0.00 0.00 61.00 62.52 3k1q s PRO 175 Cb -0.19 -2.88 0.05 0.00 0.02 0.00 0.00 34.50 31.50 3k1q s PRO 175 CO 0.02 -0.01 0.81 -1.17 -0.33 0.00 0.00 177.00 176.32 3k1q s LEU 176 N -2.03 4.43 -0.53 -5.54 2.96 -1.26 -2.49 118.68 114.22 3k1q s LEU 176 Ca 0.51 -0.53 -0.26 0.00 -0.22 0.00 0.00 54.13 53.63 3k1q s LEU 176 Cb -0.29 -2.70 -0.07 0.00 0.50 0.00 0.00 46.19 43.63 3k1q s LEU 176 CO 0.36 -1.07 2.38 -0.62 -1.32 0.00 0.00 176.35 176.09 3k1q s ASP 177 N 2.70 4.42 -0.06 3.68 2.15 0.46 -4.37 116.67 125.65 3k1q s ASP 177 Ca 0.25 0.93 -0.03 0.00 0.43 0.00 0.00 52.55 54.13 3k1q s ASP 177 Cb -0.15 -2.51 0.04 0.00 -0.30 0.00 0.00 42.92 40.00 3k1q s ASP 177 CO 0.17 -2.96 0.13 1.51 -0.17 0.00 0.00 175.17 173.85 3k1q s ASP 178 N 11.85 0.25 0.16 -0.34 -4.77 -1.26 -3.28 116.67 119.28 3k1q s ASP 178 Ca 0.95 0.27 -0.19 0.00 -3.30 0.00 0.00 52.55 50.27 3k1q s ASP 178 Cb -0.16 0.16 0.07 0.00 -1.09 0.00 0.00 42.92 41.91 3k1q s ASP 178 CO 0.24 -0.18 1.64 0.71 0.70 0.00 0.00 175.17 178.28 3k1q h THR 179 N 6.21 0.47 -1.86 2.11 1.35 -1.53 -3.41 112.91 116.25 3k1q h THR 179 Ca -0.33 0.00 -0.65 0.00 -0.55 0.00 0.00 66.41 64.88 3k1q h THR 179 Cb 1.13 0.47 0.05 0.00 -1.73 0.00 0.00 68.15 68.07 3k1q h THR 179 CO 0.33 0.00 0.60 1.57 -0.25 0.00 0.00 175.52 177.77 3k1q n HIS 180 N -5.35 1.80 -1.47 4.73 -0.00 -0.60 -4.73 115.22 109.60 3k1q n HIS 180 Ca 0.01 0.50 -0.45 0.00 -0.00 0.00 0.00 57.72 57.78 3k1q n HIS 180 Cb 0.27 -2.41 -0.09 0.00 -0.00 0.00 0.00 29.99 27.76 3k1q n HIS 180 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3k1q n PRO 181 N 3.08 0.69 -2.58 1.57 -0.04 -1.26 -2.93 135.00 133.53 3k1q n PRO 181 Ca 0.19 0.12 -0.11 0.00 -0.04 0.00 0.00 63.50 63.65 3k1q n PRO 181 Cb 0.22 -2.37 -0.00 0.00 -0.04 0.00 0.00 33.50 31.31 3k1q n PRO 181 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3k1q n HIS 182 N 11.34 -1.57 0.40 0.54 8.25 -1.24 -4.62 115.22 128.31 3k1q n HIS 182 Ca 0.48 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 58.00 3k1q n HIS 182 Cb 0.23 -2.44 0.00 0.00 1.12 0.00 0.00 29.99 28.90 3k1q n HIS 182 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3k1q n ASP 183 N -1.81 2.50 -4.57 0.41 5.68 -1.15 -4.57 116.55 113.04 3k1q n ASP 183 Ca -0.10 -1.53 -0.14 0.00 -0.50 0.00 0.00 54.79 52.52 3k1q n ASP 183 Cb 0.58 -0.46 -0.10 0.00 -1.14 0.00 0.00 41.12 40.00 3k1q n ASP 183 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3k1q n LYS 184 N 0.93 0.28 -3.06 0.11 4.01 -1.26 -4.82 118.16 114.35 3k1q n LYS 184 Ca 0.00 -1.33 -0.45 0.00 -0.51 0.00 0.00 58.31 56.02 3k1q n LYS 184 Cb 0.34 -3.81 -0.03 0.00 -0.51 0.00 0.00 35.03 31.03 3k1q n LYS 184 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 3k1q s VAL 185 N 16.21 4.98 -1.19 -0.18 -7.23 -1.26 -0.63 120.40 131.10 3k1q s VAL 185 Ca 0.86 -1.73 -0.21 0.00 -1.81 0.00 0.00 61.98 59.09 3k1q s VAL 185 Cb -0.09 -4.66 -0.03 0.00 0.56 0.00 0.00 36.38 32.16 3k1q s VAL 185 CO 0.15 -1.33 1.85 -0.76 -0.31 0.00 0.00 175.10 174.70 3k1q s LEU 186 N 2.01 3.32 -0.07 1.32 1.02 -0.51 -4.56 118.68 121.21 3k1q s LEU 186 Ca 0.26 -1.81 -0.36 0.00 0.02 0.00 0.00 54.13 52.24 3k1q s LEU 186 Cb -0.09 -2.58 -0.14 0.00 0.02 0.00 0.00 46.19 43.40 3k1q s LEU 186 CO -0.07 -2.41 1.71 0.41 0.02 0.00 0.00 176.35 176.02 3k1q n THR 187 N 7.35 0.32 -0.82 5.49 -1.04 -0.87 -2.35 114.28 122.36 3k1q n THR 187 Ca 0.45 -0.06 -0.30 0.00 -2.04 0.00 0.00 64.05 62.10 3k1q n THR 187 Cb 0.47 -1.48 0.16 0.00 -1.82 0.00 0.00 70.33 67.66 3k1q n THR 187 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3k1q s ARG 188 N 2.86 0.96 0.44 -2.82 0.52 -0.49 -0.74 118.95 119.67 3k1q s ARG 188 Ca 0.91 1.32 -0.25 0.00 -0.52 0.00 0.00 55.73 57.18 3k1q s ARG 188 Cb -0.83 -1.74 -0.08 0.00 0.52 0.00 0.00 34.95 32.82 3k1q s ARG 188 CO 0.52 -2.59 1.34 0.00 0.02 0.00 0.00 175.30 174.60 3k1q h PRO 190 N 2.36 0.67 0.00 0.00 0.11 -1.69 -1.63 132.00 131.82 3k1q h PRO 190 Ca -0.50 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.52 3k1q h PRO 190 Cb 1.26 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3k1q h PRO 190 CO 0.61 0.44 -0.25 0.87 -0.21 0.00 0.00 178.00 179.46 3k1q h LYS 191 N 0.69 0.00 0.00 1.05 1.79 -1.65 -1.93 116.57 116.52 3k1q h LYS 191 Ca 0.54 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.01 3k1q h LYS 191 Cb 0.83 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 3k1q h LYS 191 CO -0.39 0.25 0.20 1.15 -1.08 0.00 0.00 179.45 179.58 3k1q h THR 192 N 0.00 0.00 0.00 -0.16 2.02 -1.59 -3.47 112.91 109.72 3k1q h THR 192 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3k1q h THR 192 Cb 0.46 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3k1q h THR 192 CO 0.03 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.53 3k1q n GLY 193 N -1.26 1.15 3.26 2.16 0.00 -0.73 -4.77 105.19 104.99 3k1q n GLY 193 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3k1q n GLY 193 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k1q s LEU 194 N 0.00 4.80 -0.68 0.99 2.96 -1.26 -4.90 118.68 120.59 3k1q s LEU 194 Ca 0.00 -1.38 -0.18 0.00 -0.22 0.00 0.00 54.13 52.35 3k1q s LEU 194 Cb 0.00 -1.93 0.13 0.00 0.50 0.00 0.00 46.19 44.90 3k1q s LEU 194 CO 0.00 -0.45 0.76 -0.76 -1.32 0.00 0.00 176.35 174.58 3k1q s LEU 195 N 1.39 5.71 0.41 -0.68 1.02 -1.26 -4.91 118.68 120.36 3k1q s LEU 195 Ca 0.02 -1.82 0.04 0.00 0.02 0.00 0.00 54.13 52.39 3k1q s LEU 195 Cb -0.21 -2.29 0.00 0.00 0.02 0.00 0.00 46.19 43.71 3k1q s LEU 195 CO 0.02 -0.97 0.58 -0.76 0.02 0.00 0.00 176.35 175.24 3k1q s LEU 196 N 2.06 3.75 -0.10 1.79 1.43 -1.26 0.13 118.68 126.47 3k1q s LEU 196 Ca 0.15 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 3k1q s LEU 196 Cb -0.19 -2.89 -0.01 0.00 0.03 0.00 0.00 46.19 43.13 3k1q s LEU 196 CO 0.01 -0.64 -0.20 0.54 0.23 0.00 0.00 176.35 176.29 3k1q s VAL 197 N -2.39 2.48 -0.40 -1.59 0.11 -1.26 -1.40 120.40 115.94 3k1q s VAL 197 Ca 0.49 -0.88 0.04 0.00 -2.93 0.00 0.00 61.98 58.70 3k1q s VAL 197 Cb -0.10 -1.98 0.11 0.00 -1.53 0.00 0.00 36.38 32.88 3k1q s VAL 197 CO 0.34 0.55 0.13 -1.38 -3.33 0.00 0.00 175.10 171.41 3k1q s HIS 198 N 0.24 3.38 -0.32 1.54 -3.43 -0.99 -4.66 115.29 111.06 3k1q s HIS 198 Ca -0.13 -2.97 -0.28 0.00 -0.80 0.00 0.00 55.06 50.88 3k1q s HIS 198 Cb -0.16 -2.78 -0.03 0.00 -1.43 0.00 0.00 32.58 28.17 3k1q s HIS 198 CO 0.07 -0.87 2.02 0.34 -2.00 0.00 0.00 174.74 174.30 3k1q s ASP 199 N 0.51 5.56 -1.18 7.38 -1.08 -1.25 -1.42 116.67 125.19 3k1q s ASP 199 Ca 0.13 1.44 -0.21 0.00 -0.52 0.00 0.00 52.55 53.39 3k1q s ASP 199 Cb -0.21 -2.52 -0.02 0.00 -1.46 0.00 0.00 42.92 38.70 3k1q s ASP 199 CO -0.06 -1.95 1.84 0.42 0.52 0.00 0.00 175.17 175.94 3k1q s THR 200 N 8.04 3.75 0.60 1.71 -4.23 0.20 -4.86 115.64 120.85 3k1q s THR 200 Ca 0.88 -1.19 0.28 0.00 -1.18 0.00 0.00 61.69 60.49 3k1q s THR 200 Cb -0.25 -4.76 0.41 0.00 1.34 0.00 0.00 72.50 69.23 3k1q s THR 200 CO 0.33 -1.39 1.47 0.45 -0.54 0.00 0.00 174.62 174.93 3k1q h HIS 201 N 9.17 0.00 -2.63 3.99 3.86 -1.85 -3.33 115.15 124.37 3k1q h HIS 201 Ca 0.28 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 59.20 3k1q h HIS 201 Cb 0.93 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 29.05 3k1q h HIS 201 CO 1.29 0.00 -0.60 0.00 0.86 0.00 0.00 177.93 179.47 3k1q s ALA 202 N -4.50 -0.35 -0.72 2.45 0.00 -1.23 -1.38 121.76 116.02 3k1q s ALA 202 Ca -0.03 0.45 -0.14 0.00 0.00 0.00 0.00 51.96 52.24 3k1q s ALA 202 Cb 0.15 -1.22 0.19 0.00 0.00 0.00 0.00 23.12 22.24 3k1q s ALA 202 CO 0.51 -1.03 0.66 -1.58 0.00 0.00 0.00 175.76 174.32 3k1q s HIS 203 N 2.35 3.59 0.10 0.00 2.46 0.08 -4.54 115.29 119.33 3k1q s HIS 203 Ca 0.06 -1.85 0.00 0.00 0.47 0.00 0.00 55.06 53.74 3k1q s HIS 203 Cb -0.15 -3.76 0.00 0.00 -0.13 0.00 0.00 32.58 28.54 3k1q s HIS 203 CO -0.11 -0.99 0.00 0.00 -2.47 0.00 0.00 174.74 171.17 3k1q n ALA 204 N 4.32 0.00 -1.41 1.58 0.00 -1.26 -1.38 120.51 122.35 3k1q n ALA 204 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3k1q n ALA 204 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3k1q n ALA 204 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3k1q n THR 205 N -2.51 0.00 0.42 0.00 -2.24 -1.26 -4.52 114.28 104.16 3k1q n THR 205 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3k1q n THR 205 Cb 0.00 -1.71 0.43 0.00 -2.10 0.00 0.00 70.33 66.94 3k1q n THR 205 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q h ALA 206 N -1.52 1.00 0.00 6.98 0.00 -1.85 -3.47 119.26 120.40 3k1q h ALA 206 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k1q h ALA 206 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3k1q h ALA 206 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.58 3k1q n VAL 207 N -2.59 0.00 0.08 0.00 0.24 -1.13 -3.71 118.33 111.22 3k1q n VAL 207 Ca 0.03 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.45 3k1q n VAL 207 Cb 0.38 0.00 0.59 0.00 -1.47 0.00 0.00 33.84 33.34 3k1q n VAL 207 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 3k1q h VAL 208 N 0.00 0.92 -0.76 3.34 3.04 -1.82 -3.22 116.25 117.76 3k1q h VAL 208 Ca 0.00 -0.06 0.15 0.00 -1.01 0.00 0.00 66.70 65.78 3k1q h VAL 208 Cb 0.00 0.74 -0.10 0.00 -2.01 0.00 0.00 31.29 29.92 3k1q h VAL 208 CO 0.00 0.03 0.29 0.00 -1.01 0.00 0.00 177.57 176.89 3k1q h ALA 209 N 1.83 1.06 0.12 3.17 0.00 -1.64 0.50 119.26 124.31 3k1q h ALA 209 Ca 0.15 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3k1q h ALA 209 Cb 0.37 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3k1q h ALA 209 CO -0.02 -0.22 -0.06 1.15 0.00 0.00 0.00 179.25 180.09 3k1q h THR 210 N 0.43 1.01 -0.82 0.00 2.02 -1.00 -2.87 112.91 111.67 3k1q h THR 210 Ca 0.42 -1.20 0.20 0.00 0.77 0.00 0.00 66.41 66.60 3k1q h THR 210 Cb 0.65 1.69 -0.14 0.00 -1.74 0.00 0.00 68.15 68.61 3k1q h THR 210 CO -0.41 0.26 0.10 0.00 0.37 0.00 0.00 175.52 175.83 3k1q h ALA 211 N -0.12 1.00 0.53 6.16 0.00 -1.55 0.28 119.26 125.56 3k1q h ALA 211 Ca -0.02 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3k1q h ALA 211 Cb 0.55 0.39 0.01 0.00 0.00 0.00 0.00 17.79 18.74 3k1q h ALA 211 CO 0.03 -0.44 -0.25 0.00 0.00 0.00 0.00 179.25 178.58 3k1q h ALA 212 N 1.75 -0.71 -0.87 0.00 0.00 -0.10 -3.20 119.26 116.13 3k1q h ALA 212 Ca 0.48 -0.17 0.21 0.00 0.00 0.00 0.00 54.91 55.43 3k1q h ALA 212 Cb 0.90 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 3k1q h ALA 212 CO -0.68 -0.67 0.59 1.79 0.00 0.00 0.00 179.25 180.27 3k1q h THR 213 N -1.16 0.67 -0.97 0.00 1.35 -1.20 -1.59 112.91 110.02 3k1q h THR 213 Ca -0.07 -0.11 0.26 0.00 -0.55 0.00 0.00 66.41 65.93 3k1q h THR 213 Cb 0.57 0.32 -0.06 0.00 -1.73 0.00 0.00 68.15 67.25 3k1q h THR 213 CO 0.12 0.06 0.66 -0.09 -0.25 0.00 0.00 175.52 176.02 3k1q h ARG 214 N 0.32 0.21 0.00 4.72 2.43 -0.95 -2.30 114.38 118.81 3k1q h ARG 214 Ca 0.44 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 3k1q h ARG 214 Cb 1.22 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3k1q h ARG 214 CO -0.14 0.14 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 3k1q h ALA 215 N 1.57 1.00 0.00 2.80 0.00 -1.34 0.20 119.26 123.49 3k1q h ALA 215 Ca 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 3k1q h ALA 215 Cb 1.57 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 3k1q h ALA 215 CO -0.13 0.00 -0.10 -0.84 0.00 0.00 0.00 179.25 178.18 3k1q h ILE 216 N 0.00 0.47 0.06 0.00 -0.00 -1.56 -1.86 117.51 114.61 3k1q h ILE 216 Ca 0.00 -0.52 0.02 0.00 -0.00 0.00 0.00 64.86 64.37 3k1q h ILE 216 Cb 0.24 1.35 -0.04 0.00 -0.00 0.00 0.00 36.82 38.38 3k1q h ILE 216 CO 0.00 0.10 -0.23 0.25 -0.00 0.00 0.00 178.15 178.27 3k1q h LEU 217 N 0.00 -0.67 -0.49 0.16 6.46 -0.74 -0.86 115.31 119.16 3k1q h LEU 217 Ca -0.00 0.09 0.10 0.00 -0.12 0.00 0.00 57.88 57.94 3k1q h LEU 217 Cb 0.34 0.27 -0.08 0.00 -0.73 0.00 0.00 40.66 40.46 3k1q h LEU 217 CO 0.01 -0.31 -0.01 0.24 -0.62 0.00 0.00 178.44 177.75 3k1q h MET 218 N -0.40 0.10 0.00 1.25 2.86 -1.52 -1.58 114.93 115.63 3k1q h MET 218 Ca 0.04 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3k1q h MET 218 Cb 0.45 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3k1q h MET 218 CO -0.17 0.06 0.00 0.72 1.06 0.00 0.00 176.91 178.58 3k1q n HIS 219 N -5.24 0.00 -0.37 -0.22 8.25 -0.91 -2.86 115.22 113.88 3k1q n HIS 219 Ca 0.05 0.00 0.35 0.00 -0.26 0.00 0.00 57.72 57.86 3k1q n HIS 219 Cb 0.26 -0.34 0.71 0.00 1.12 0.00 0.00 29.99 31.74 3k1q n HIS 219 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3k1q h ASP 220 N 0.00 0.09 0.13 0.41 3.32 -0.59 -1.09 116.42 118.70 3k1q h ASP 220 Ca 0.00 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3k1q h ASP 220 Cb 0.00 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3k1q h ASP 220 CO 0.00 0.00 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.39 3k1q h LEU 221 N 0.07 -0.15 0.00 1.55 3.38 -1.16 -1.90 115.31 117.11 3k1q h LEU 221 Ca 0.62 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3k1q h LEU 221 Cb 2.30 0.04 0.00 0.00 0.09 0.00 0.00 40.66 43.09 3k1q h LEU 221 CO -0.08 0.43 -0.35 0.18 0.09 0.00 0.00 178.44 178.70 3k1q n LEU 222 N -4.89 0.39 -0.04 1.67 4.77 -0.94 -1.07 117.00 116.88 3k1q n LEU 222 Ca -0.08 0.19 -0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3k1q n LEU 222 Cb 0.27 -0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3k1q n LEU 222 CO 0.26 0.06 -0.01 0.74 -1.33 0.00 0.00 177.39 177.11 3k1q h THR 223 N 0.00 0.00 -1.72 -5.08 2.02 -1.37 -3.44 112.91 103.33 3k1q h THR 223 Ca 0.00 -0.85 -0.66 0.00 0.77 0.00 0.00 66.41 65.67 3k1q h THR 223 Cb 0.54 0.00 -0.36 0.00 -1.74 0.00 0.00 68.15 66.58 3k1q h THR 223 CO 0.00 0.00 -0.06 -0.24 0.37 0.00 0.00 175.52 175.59 3k1q n SER 224 N -4.36 5.76 0.00 4.18 2.88 -0.71 -4.97 113.62 116.39 3k1q n SER 224 Ca -0.00 -3.76 0.00 0.00 -1.33 0.00 0.00 58.87 53.78 3k1q n SER 224 Cb 0.01 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 3k1q n SER 224 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3k1q n ALA 225 N -0.49 0.00 -3.27 -1.46 0.00 -0.24 -4.68 120.51 110.37 3k1q n ALA 225 Ca 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.75 3k1q n ALA 225 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 3k1q n ALA 225 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3k1q s ASN 226 N 0.00 -0.36 -0.66 0.00 0.01 -1.18 -4.70 114.94 108.05 3k1q s ASN 226 Ca 0.00 0.61 -0.26 0.00 -0.71 0.00 0.00 52.86 52.50 3k1q s ASN 226 Cb 0.00 0.66 -0.04 0.00 0.41 0.00 0.00 41.25 42.29 3k1q s ASN 226 CO 0.00 -0.22 1.97 0.00 -1.51 0.00 0.00 177.10 177.34 3k1q s ALA 227 N -0.20 1.93 -0.44 0.60 0.00 -1.25 -4.61 121.76 117.78 3k1q s ALA 227 Ca -0.04 -0.75 -0.28 0.00 0.00 0.00 0.00 51.96 50.89 3k1q s ALA 227 Cb -0.03 -4.37 -0.00 0.00 0.00 0.00 0.00 23.12 18.71 3k1q s ALA 227 CO 0.02 -4.25 1.61 0.34 0.00 0.00 0.00 175.76 173.48 3k1q s ASP 228 N 8.74 5.98 0.00 0.00 2.15 -1.26 -4.50 116.67 127.78 3k1q s ASP 228 Ca 0.73 0.81 0.00 0.00 0.43 0.00 0.00 52.55 54.52 3k1q s ASP 228 Cb -0.12 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 3k1q s ASP 228 CO 0.16 -1.73 0.00 0.47 -0.17 0.00 0.00 175.17 173.90 3k1q n ASP 229 N 10.08 0.00 0.00 -0.34 9.92 -1.26 -4.90 116.55 130.05 3k1q n ASP 229 Ca 0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 3k1q n ASP 229 Cb 0.48 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 3k1q n ASP 229 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3k1q n GLY 230 N 0.00 0.46 0.42 0.44 0.00 -1.26 -1.00 105.19 104.24 3k1q n GLY 230 Ca 0.00 0.74 0.22 0.00 0.00 0.00 0.00 46.02 46.98 3k1q n GLY 230 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3k1q h HIS 231 N 0.00 0.40 -1.02 1.61 -0.00 -1.93 0.40 115.15 114.61 3k1q h HIS 231 Ca 0.00 0.01 0.25 0.00 -0.00 0.00 0.00 60.37 60.64 3k1q h HIS 231 Cb 0.00 -0.12 -0.10 0.00 -0.00 0.00 0.00 27.41 27.19 3k1q h HIS 231 CO 0.00 0.09 0.65 0.37 -0.00 0.00 0.00 177.93 179.05 3k1q h GLN 232 N 0.29 0.43 0.06 5.26 -0.00 -1.48 0.34 115.11 120.01 3k1q h GLN 232 Ca 0.46 -0.03 -0.25 0.00 -0.00 0.00 0.00 58.65 58.84 3k1q h GLN 232 Cb 1.34 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 28.70 3k1q h GLN 232 CO -0.14 0.29 -1.34 0.00 0.00 0.00 0.00 178.83 177.64 3k1q h ALA 233 N 1.63 0.24 -0.53 3.38 0.00 -1.66 -3.41 119.26 118.92 3k1q h ALA 233 Ca 0.59 -1.14 0.15 0.00 0.00 0.00 0.00 54.91 54.51 3k1q h ALA 233 Cb 1.40 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 3k1q h ALA 233 CO -0.31 0.79 0.39 0.00 0.00 0.00 0.00 179.25 180.12 3k1q h ARG 234 N -0.57 0.00 0.93 0.00 3.08 0.33 -2.31 114.38 115.84 3k1q h ARG 234 Ca -0.32 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.69 3k1q h ARG 234 Cb 1.56 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.62 3k1q h ARG 234 CO -0.05 0.00 -0.45 0.66 -1.07 0.00 0.00 179.97 179.06 3k1q h SER 235 N 0.00 -1.06 0.40 7.04 4.64 -0.58 -1.62 113.55 122.37 3k1q h SER 235 Ca 0.25 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.59 3k1q h SER 235 Cb 1.03 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3k1q h SER 235 CO -0.00 -0.73 -0.19 0.00 -0.87 0.00 0.00 176.83 175.03 3k1q h ALA 236 N -1.26 -0.54 -0.90 5.18 0.00 -1.80 -3.38 119.26 116.55 3k1q h ALA 236 Ca -0.13 -0.15 0.33 0.00 0.00 0.00 0.00 54.91 54.97 3k1q h ALA 236 Cb 0.96 0.21 -0.16 0.00 0.00 0.00 0.00 17.79 18.80 3k1q h ALA 236 CO 0.21 -0.75 0.31 0.00 0.00 0.00 0.00 179.25 179.02 3k1q s TYR 238 N -5.56 2.90 0.00 0.00 1.51 -0.62 -5.07 117.35 110.52 3k1q s TYR 238 Ca -0.09 -1.11 0.00 0.00 -1.01 0.00 0.00 57.07 54.85 3k1q s TYR 238 Cb 0.29 -2.04 0.00 0.00 -0.11 0.00 0.00 41.96 40.10 3k1q s TYR 238 CO 0.70 -0.60 0.00 0.41 -1.11 0.00 0.00 175.55 174.95 3k1q n GLY 239 N 4.68 0.00 3.68 0.71 0.00 -1.26 -2.34 105.19 110.66 3k1q n GLY 239 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3k1q n GLY 239 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k1q s PRO 240 N 0.00 4.21 -0.40 1.61 0.04 -1.26 -2.01 135.00 137.19 3k1q s PRO 240 Ca 0.00 2.21 -0.28 0.00 0.04 0.00 0.00 61.00 62.97 3k1q s PRO 240 Cb 0.00 -3.70 -0.00 0.00 0.04 0.00 0.00 34.50 30.84 3k1q s PRO 240 CO 0.00 -0.73 1.57 0.00 0.04 0.00 0.00 177.00 177.89 3k1q s ALA 241 N 2.96 2.92 -0.07 8.56 0.00 -1.21 -2.84 121.76 132.07 3k1q s ALA 241 Ca 0.71 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.63 3k1q s ALA 241 Cb -0.36 -4.00 0.01 0.00 0.00 0.00 0.00 23.12 18.77 3k1q s ALA 241 CO 0.30 -2.60 -0.16 0.12 0.00 0.00 0.00 175.76 173.43 3k1q s PHE 242 N 6.19 1.77 0.62 0.00 5.36 -1.26 -5.04 117.98 125.62 3k1q s PHE 242 Ca 0.67 -0.68 0.00 0.00 -0.96 0.00 0.00 56.93 55.97 3k1q s PHE 242 Cb -0.16 -1.25 0.00 0.00 -0.34 0.00 0.00 43.02 41.26 3k1q s PHE 242 CO 0.32 -0.31 0.00 0.27 -1.46 0.00 0.00 175.22 174.04 3k1q n ASN 243 N 3.70 -7.91 0.00 6.13 6.94 -1.26 -4.56 115.26 118.31 3k1q n ASN 243 Ca -0.22 1.44 0.00 0.00 -0.02 0.00 0.00 54.58 55.78 3k1q n ASN 243 Cb 0.52 -4.96 0.00 0.00 -2.36 0.00 0.00 39.78 32.98 3k1q n ASN 243 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 3k1q n ASN 244 N -4.35 0.00 -3.81 0.53 6.94 -1.26 -4.85 115.26 108.46 3k1q n ASN 244 Ca -0.09 0.00 -0.28 0.00 -0.02 0.00 0.00 54.58 54.19 3k1q n ASN 244 Cb 0.69 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 38.15 3k1q n ASN 244 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3k1q n LEU 245 N -2.11 -2.83 -3.75 -4.53 4.32 -1.26 -5.03 117.00 101.81 3k1q n LEU 245 Ca 0.00 -0.72 -0.27 0.00 -0.02 0.00 0.00 56.01 55.00 3k1q n LEU 245 Cb 0.00 -2.69 -0.17 0.00 -1.62 0.00 0.00 43.42 38.94 3k1q n LEU 245 CO 0.00 0.51 -0.37 -0.89 -1.22 0.00 0.00 177.39 175.42 3k1q s THR 246 N -3.34 0.53 0.00 -5.08 2.01 -1.23 -4.94 115.64 103.59 3k1q s THR 246 Ca 0.58 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.15 3k1q s THR 246 Cb -0.28 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.27 3k1q s THR 246 CO 0.80 -0.10 0.00 0.49 -0.69 0.00 0.00 174.62 175.12 3k1q n PHE 247 N 5.06 0.00 -3.94 4.92 3.01 -1.12 -4.89 117.46 120.50 3k1q n PHE 247 Ca -0.09 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.27 3k1q n PHE 247 Cb 0.48 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.83 3k1q n PHE 247 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3k1q s ALA 248 N -0.03 0.01 0.00 4.37 0.00 -0.48 -3.71 121.76 121.92 3k1q s ALA 248 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.60 3k1q s ALA 248 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.22 3k1q s ALA 248 CO 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 175.76 175.63 3k1q n HIS 250 N -0.16 0.00 0.00 0.00 -0.00 -1.26 -0.74 115.22 113.06 3k1q n HIS 250 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3k1q n HIS 250 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3k1q n HIS 250 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 3k1q n SER 251 N 0.00 0.00 0.00 0.26 7.64 -0.48 -4.76 113.62 116.29 3k1q n SER 251 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3k1q n SER 251 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3k1q n SER 251 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3k1q n THR 252 N 0.00 0.00 0.14 0.44 -2.24 -1.26 -2.17 114.28 109.19 3k1q n THR 252 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 3k1q n THR 252 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 3k1q n THR 252 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q h ALA 254 N 0.28 1.38 0.00 0.00 0.00 -1.67 -0.49 119.26 118.76 3k1q h ALA 254 Ca -0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3k1q h ALA 254 Cb 0.34 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3k1q h ALA 254 CO 0.05 0.10 -0.13 0.77 0.00 0.00 0.00 179.25 180.05 3k1q h SER 255 N 0.00 0.00 0.00 0.00 0.02 -0.98 -2.58 113.55 110.00 3k1q h SER 255 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3k1q h SER 255 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3k1q h SER 255 CO 0.01 0.13 0.00 0.47 -1.14 0.00 0.00 176.83 176.30 3k1q n ASP 256 N -3.91 0.00 0.00 3.07 9.92 -0.73 -4.41 116.55 120.49 3k1q n ASP 256 Ca -0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 3k1q n ASP 256 Cb 0.22 -0.30 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 3k1q n ASP 256 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 3k1q n MET 257 N -2.41 0.00 -0.03 -1.24 1.56 -0.27 -2.15 117.12 112.57 3k1q n MET 257 Ca 0.00 0.71 0.04 0.00 -0.27 0.00 0.00 57.70 58.18 3k1q n MET 257 Cb 0.00 -1.39 0.41 0.00 2.15 0.00 0.00 33.22 34.39 3k1q n MET 257 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3k1q h ALA 258 N -1.51 1.70 0.75 -5.12 0.00 -1.66 0.29 119.26 113.71 3k1q h ALA 258 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3k1q h ALA 258 Cb 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.62 3k1q h ALA 258 CO 0.00 0.27 -0.36 1.25 0.00 0.00 0.00 179.25 180.41 3k1q h HIS 259 N 0.59 -0.93 -0.09 0.00 6.17 -1.43 -2.68 115.15 116.78 3k1q h HIS 259 Ca 0.17 -0.02 -0.06 0.00 0.71 0.00 0.00 60.37 61.17 3k1q h HIS 259 Cb -0.03 0.31 0.00 0.00 2.52 0.00 0.00 27.41 30.21 3k1q h HIS 259 CO -0.00 -0.58 -0.16 0.74 0.71 0.00 0.00 177.93 178.64 3k1q h PHE 260 N -1.21 0.34 0.00 5.26 -1.00 -1.29 -3.33 116.94 115.71 3k1q h PHE 260 Ca -0.10 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.56 3k1q h PHE 260 Cb 0.77 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.27 3k1q h PHE 260 CO 0.01 0.77 0.00 -0.25 -1.61 0.00 0.00 178.31 177.23 3k1q n ASP 261 N -4.58 0.00 -0.22 2.17 8.00 0.99 -1.16 116.55 121.75 3k1q n ASP 261 Ca -0.07 -1.03 -0.08 0.00 0.71 0.00 0.00 54.79 54.32 3k1q n ASP 261 Cb 0.39 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.52 3k1q n ASP 261 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k1q n GLY 263 N -0.73 0.05 3.95 0.00 0.00 -0.71 -0.61 105.19 107.14 3k1q n GLY 263 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3k1q n GLY 263 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3k1q n GLN 264 N -1.42 0.00 0.00 1.61 7.27 -0.31 -2.23 117.38 122.29 3k1q n GLN 264 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3k1q n GLN 264 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3k1q n GLN 264 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 3k1q n ILE 265 N 0.00 0.00 -0.10 1.69 5.41 -1.22 -4.69 119.36 120.44 3k1q n ILE 265 Ca 0.00 0.04 0.07 0.00 1.00 0.00 0.00 62.75 63.87 3k1q n ILE 265 Cb 0.00 -0.30 0.41 0.00 -0.71 0.00 0.00 39.64 39.04 3k1q n ILE 265 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3k1q h VAL 266 N 0.00 1.02 0.00 1.39 2.07 -1.44 -3.45 116.25 115.83 3k1q h VAL 266 Ca 0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3k1q h VAL 266 Cb 0.00 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 3k1q h VAL 266 CO 0.00 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.31 3k1q n GLY 267 N -1.47 1.19 3.55 2.17 0.00 -0.95 -4.85 105.19 104.82 3k1q n GLY 267 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3k1q n GLY 267 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1q s LEU 268 N 0.00 3.00 -0.06 0.99 1.43 -1.26 -0.12 118.68 122.66 3k1q s LEU 268 Ca 0.00 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3k1q s LEU 268 Cb 0.00 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.57 3k1q s LEU 268 CO 0.00 0.32 -0.00 -0.62 0.23 0.00 0.00 176.35 176.28 3k1q s ASP 269 N -1.05 1.23 0.10 2.29 -1.08 0.29 -5.02 116.67 113.44 3k1q s ASP 269 Ca 0.14 -0.07 0.09 0.00 -0.52 0.00 0.00 52.55 52.18 3k1q s ASP 269 Cb -0.11 -0.38 -0.04 0.00 -1.46 0.00 0.00 42.92 40.93 3k1q s ASP 269 CO 0.03 -0.16 -0.22 -0.76 0.52 0.00 0.00 175.17 174.59 3k1q s LEU 270 N 1.62 2.29 -0.06 -1.34 1.02 -1.17 -0.71 118.68 120.34 3k1q s LEU 270 Ca -0.01 -0.69 0.02 0.00 0.02 0.00 0.00 54.13 53.48 3k1q s LEU 270 Cb -0.13 -0.95 0.01 0.00 0.02 0.00 0.00 46.19 45.14 3k1q s LEU 270 CO -0.03 0.09 -0.12 -2.28 0.02 0.00 0.00 176.35 174.03 3k1q s HIS 271 N -1.12 1.37 -0.55 0.29 2.46 -0.04 -4.81 115.29 112.89 3k1q s HIS 271 Ca 0.08 -0.48 0.06 0.00 0.47 0.00 0.00 55.06 55.19 3k1q s HIS 271 Cb -0.10 -1.01 -0.01 0.00 -0.13 0.00 0.00 32.58 31.33 3k1q s HIS 271 CO 0.04 -0.25 0.47 1.33 -2.47 0.00 0.00 174.74 173.86 3k1q n VAL 272 N 3.75 0.00 -3.23 0.89 0.24 -0.97 0.17 118.33 119.17 3k1q n VAL 272 Ca -0.23 -0.42 -0.39 0.00 -2.04 0.00 0.00 64.34 61.27 3k1q n VAL 272 Cb 0.52 1.07 -0.06 0.00 -1.47 0.00 0.00 33.84 33.90 3k1q n VAL 272 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3k1q s GLU 273 N -1.11 4.29 -0.60 7.34 8.01 -1.21 0.64 118.70 136.05 3k1q s GLU 273 Ca 0.05 0.71 -0.30 0.00 0.01 0.00 0.00 54.97 55.43 3k1q s GLU 273 Cb 0.05 -3.33 -0.13 0.00 -4.31 0.00 0.00 34.13 26.41 3k1q s GLU 273 CO 0.17 0.40 2.44 -0.35 0.01 0.00 0.00 175.26 177.93 3k1q n PRO 274 N 2.62 0.74 0.00 0.39 -0.04 -1.26 -3.85 135.00 133.60 3k1q n PRO 274 Ca -0.08 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 3k1q n PRO 274 Cb 0.51 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 3k1q n PRO 274 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3k1q n SER 275 N 12.49 0.00 0.00 3.54 3.41 -1.26 -5.00 113.62 126.80 3k1q n SER 275 Ca 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 3k1q n SER 275 Cb 0.30 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3k1q n SER 275 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35