#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b6g n ALA 14 N 0.00 3.00 -3.68 7.82 0.00 -1.26 -5.10 120.51 121.29 3b6g n ALA 14 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 3b6g n ALA 14 Cb 0.00 0.07 -0.17 0.00 0.00 0.00 0.00 19.45 19.36 3b6g n ALA 14 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3b6g s LYS 15 N -1.84 1.13 0.32 0.00 -0.14 -1.26 -5.12 119.74 112.82 3b6g s LYS 15 Ca 0.00 -0.16 -0.29 0.00 -1.36 0.00 0.00 55.97 54.15 3b6g s LYS 15 Cb 0.00 -1.16 -0.12 0.00 -1.68 0.00 0.00 37.83 34.88 3b6g s LYS 15 CO 0.00 -0.14 1.49 0.25 -0.76 0.00 0.00 175.35 176.18 3b6g n THR 16 N 4.41 1.44 0.22 2.17 -2.24 -1.26 -4.82 114.28 114.21 3b6g n THR 16 Ca -0.18 -0.36 0.12 0.00 -2.27 0.00 0.00 64.05 61.36 3b6g n THR 16 Cb 0.51 -1.83 0.71 0.00 -2.10 0.00 0.00 70.33 67.62 3b6g n THR 16 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3b6g h ARG 17 N 3.82 0.00 0.27 -0.78 3.08 -1.97 0.17 114.38 118.98 3b6g h ARG 17 Ca -0.48 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.57 3b6g h ARG 17 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 3b6g h ARG 17 CO 0.72 0.00 -0.16 0.77 -1.07 0.00 0.00 179.97 180.23 3b6g h SER 18 N 0.00 -0.39 1.59 7.04 0.02 -1.90 -2.25 113.55 117.67 3b6g h SER 18 Ca 0.05 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3b6g h SER 18 Cb 0.19 0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 3b6g h SER 18 CO -0.00 -0.26 -0.06 0.77 -1.14 0.00 0.00 176.83 176.15 3b6g h SER 19 N -0.41 0.00 0.84 3.07 4.64 -1.58 0.67 113.55 120.79 3b6g h SER 19 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3b6g h SER 19 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3b6g h SER 19 CO 0.03 0.06 0.00 0.03 -0.87 0.00 0.00 176.83 176.08 3b6g h ARG 20 N 0.00 0.00 0.00 4.77 3.08 -0.50 -2.80 114.38 118.93 3b6g h ARG 20 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 3b6g h ARG 20 Cb 0.87 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 3b6g h ARG 20 CO 0.01 0.00 -1.73 0.00 -1.07 0.00 0.00 179.97 177.18 3b6g n ALA 21 N -1.94 2.09 -1.00 0.04 0.00 -0.86 -5.05 120.51 113.78 3b6g n ALA 21 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.88 3b6g n ALA 21 Cb 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3b6g n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b6g n GLY 22 N 2.00 0.59 3.41 0.00 0.00 0.22 -5.09 105.19 106.31 3b6g n GLY 22 Ca -0.11 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 3b6g n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b6g s LEU 23 N -1.22 1.85 -0.05 0.99 1.43 -0.10 -4.97 118.68 116.61 3b6g s LEU 23 Ca 0.00 -1.67 0.08 0.00 -1.03 0.00 0.00 54.13 51.51 3b6g s LEU 23 Cb 0.00 0.14 0.15 0.00 0.03 0.00 0.00 46.19 46.51 3b6g s LEU 23 CO 0.00 -0.96 1.10 0.00 0.23 0.00 0.00 176.35 176.72 3b6g n GLN 24 N -0.75 2.47 -4.19 1.70 1.13 -1.26 -4.41 117.38 112.07 3b6g n GLN 24 Ca -0.01 -1.96 -0.34 0.00 -1.94 0.00 0.00 57.00 52.76 3b6g n GLN 24 Cb 0.64 -1.23 -0.15 0.00 0.11 0.00 0.00 30.24 29.62 3b6g n GLN 24 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3b6g s PHE 25 N -1.66 2.85 -0.77 1.08 0.40 -1.26 -5.05 117.98 113.57 3b6g s PHE 25 Ca 0.14 -1.15 -0.24 0.00 -0.60 0.00 0.00 56.93 55.09 3b6g s PHE 25 Cb 0.12 -1.98 -0.15 0.00 0.51 0.00 0.00 43.02 41.52 3b6g s PHE 25 CO 0.03 -0.58 2.40 -0.35 0.70 0.00 0.00 175.22 177.42 3b6g n PRO 26 N 4.46 0.57 0.00 0.24 -0.04 -1.26 -4.77 135.00 134.20 3b6g n PRO 26 Ca -0.19 -0.58 0.03 0.00 -0.04 0.00 0.00 63.50 62.71 3b6g n PRO 26 Cb 0.51 -3.29 0.16 0.00 -0.04 0.00 0.00 33.50 30.83 3b6g n PRO 26 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3b6g n VAL 27 N 8.26 0.00 -0.11 0.52 0.31 -1.26 -1.73 118.33 124.31 3b6g n VAL 27 Ca 0.48 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.61 3b6g n VAL 27 Cb 0.41 -0.88 -0.08 0.00 -0.91 0.00 0.00 33.84 32.38 3b6g n VAL 27 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3b6g n GLY 28 N -0.62 -0.63 0.19 2.92 0.00 -1.26 -4.34 105.19 101.44 3b6g n GLY 28 Ca 0.04 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 3b6g n GLY 28 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3b6g h ARG 29 N -1.00 0.48 -0.68 1.61 2.43 -1.73 -1.64 114.38 113.86 3b6g h ARG 29 Ca -0.38 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 58.85 3b6g h ARG 29 Cb 1.27 -0.11 -0.11 0.00 -0.42 0.00 0.00 29.97 30.60 3b6g h ARG 29 CO -0.23 0.32 -0.47 0.28 -1.51 0.00 0.00 179.97 178.36 3b6g h VAL 30 N 0.50 0.05 -0.43 0.20 2.07 -1.68 0.11 116.25 117.07 3b6g h VAL 30 Ca 0.19 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.84 3b6g h VAL 30 Cb 0.07 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 3b6g h VAL 30 CO -0.12 0.00 0.34 -0.74 0.02 0.00 0.00 177.57 177.07 3b6g h HIS 31 N -0.19 0.00 0.01 1.57 -0.00 -1.50 0.21 115.15 115.26 3b6g h HIS 31 Ca 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.54 3b6g h HIS 31 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.96 3b6g h HIS 31 CO -0.78 0.00 -0.06 -0.09 -0.00 0.00 0.00 177.93 177.00 3b6g h ARG 32 N 0.00 0.03 -0.98 5.26 2.43 -0.96 -3.07 114.38 117.09 3b6g h ARG 32 Ca 0.20 -0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.46 3b6g h ARG 32 Cb 0.88 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.36 3b6g h ARG 32 CO -0.00 0.94 0.62 -0.07 -1.51 0.00 0.00 179.97 179.95 3b6g h LEU 33 N -0.87 0.88 -1.37 3.80 3.38 0.90 0.33 115.31 122.37 3b6g h LEU 33 Ca -0.01 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3b6g h LEU 33 Cb 0.96 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3b6g h LEU 33 CO 0.01 0.47 -0.31 -0.07 0.09 0.00 0.00 178.44 178.63 3b6g h LEU 34 N 0.95 0.00 0.07 1.67 3.38 -0.81 -2.46 115.31 118.11 3b6g h LEU 34 Ca 0.48 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.17 3b6g h LEU 34 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3b6g h LEU 34 CO -0.24 0.31 -1.46 0.03 0.09 0.00 0.00 178.44 177.16 3b6g h ARG 35 N 0.00 0.15 0.00 1.13 3.08 -0.59 -3.34 114.38 114.82 3b6g h ARG 35 Ca -0.00 -0.26 -0.13 0.00 0.07 0.00 0.00 59.98 59.66 3b6g h ARG 35 Cb 0.60 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 3b6g h ARG 35 CO 0.04 0.98 -0.62 1.57 -1.07 0.00 0.00 179.97 180.87 3b6g h LYS 36 N 0.04 0.00 0.00 0.04 2.10 -0.42 -3.26 116.57 115.06 3b6g h LYS 36 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 3b6g h LYS 36 Cb 1.97 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.30 3b6g h LYS 36 CO 0.14 0.62 0.00 0.78 -2.00 0.00 0.00 179.45 178.99 3b6g h GLY 37 N 2.45 0.00 -4.86 0.07 0.00 -1.60 -3.48 103.07 95.66 3b6g h GLY 37 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3b6g h GLY 37 CO 0.08 0.00 -0.05 0.70 0.00 0.00 0.00 176.54 177.27 3b6g n ASN 38 N -2.88 -6.59 -0.10 0.19 5.03 -1.23 -5.00 115.26 104.67 3b6g n ASN 38 Ca 0.04 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.38 3b6g n ASN 38 Cb 0.48 -4.41 -0.15 0.00 -1.02 0.00 0.00 39.78 34.68 3b6g n ASN 38 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3b6g n TYR 39 N -1.45 0.04 -3.95 3.10 4.02 -1.25 -5.03 117.16 112.64 3b6g n TYR 39 Ca 0.01 0.01 -0.09 0.00 -0.01 0.00 0.00 57.90 57.82 3b6g n TYR 39 Cb 0.48 -1.01 -0.03 0.00 -0.02 0.00 0.00 39.34 38.76 3b6g n TYR 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3b6g s ALA 40 N -2.50 -0.49 0.22 -0.72 0.00 -1.26 -5.04 121.76 111.98 3b6g s ALA 40 Ca -0.16 -0.76 -0.07 0.00 0.00 0.00 0.00 51.96 50.98 3b6g s ALA 40 Cb 0.07 0.97 0.19 0.00 0.00 0.00 0.00 23.12 24.36 3b6g s ALA 40 CO 0.77 -0.92 1.79 1.49 0.00 0.00 0.00 175.76 178.90 3b6g h GLU 41 N 2.14 1.17 -2.96 0.00 4.81 -1.98 -3.43 114.58 114.33 3b6g h GLU 41 Ca -0.25 -0.21 -0.50 0.00 -0.13 0.00 0.00 59.36 58.27 3b6g h GLU 41 Cb 1.25 -0.19 -0.40 0.00 0.63 0.00 0.00 28.75 30.03 3b6g h GLU 41 CO 0.33 0.94 -0.77 1.03 -0.73 0.00 0.00 179.01 179.81 3b6g s ARG 42 N -5.55 0.17 -0.11 1.92 0.52 -1.26 -5.11 118.95 109.53 3b6g s ARG 42 Ca -0.12 -0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 54.44 3b6g s ARG 42 Cb 0.16 -1.52 -0.02 0.00 0.52 0.00 0.00 34.95 34.09 3b6g s ARG 42 CO 0.84 -0.85 1.21 0.08 0.02 0.00 0.00 175.30 176.59 3b6g s VAL 43 N 2.09 4.31 1.26 3.52 1.01 -1.26 -5.03 120.40 126.30 3b6g s VAL 43 Ca 0.06 1.61 -0.18 0.00 0.00 0.00 0.00 61.98 63.47 3b6g s VAL 43 Cb -0.16 -4.04 0.31 0.00 0.00 0.00 0.00 36.38 32.49 3b6g s VAL 43 CO -0.23 -0.07 1.01 -0.83 0.00 0.00 0.00 175.10 174.98 3b6g s GLY 44 N 1.66 1.50 0.03 4.51 0.00 -1.26 -4.98 107.32 108.78 3b6g s GLY 44 Ca 0.54 -0.60 -0.17 0.00 0.00 0.00 0.00 44.72 44.50 3b6g s GLY 44 CO 0.18 0.26 1.13 0.00 0.00 0.00 0.00 173.10 174.67 3b6g h ALA 45 N -2.87 0.09 -0.25 3.20 0.00 -2.05 -3.32 119.26 114.06 3b6g h ALA 45 Ca -0.51 -0.64 -0.09 0.00 0.00 0.00 0.00 54.91 53.68 3b6g h ALA 45 Cb 1.33 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3b6g h ALA 45 CO 0.40 0.51 -0.19 0.78 0.00 0.00 0.00 179.25 180.74 3b6g h GLY 46 N 0.12 0.63 -0.56 0.00 0.00 -2.02 -3.39 103.07 97.84 3b6g h GLY 46 Ca -0.10 -0.61 0.06 0.00 0.00 0.00 0.00 47.33 46.67 3b6g h GLY 46 CO 0.16 0.55 -0.31 0.00 0.00 0.00 0.00 176.54 176.94 3b6g n ALA 47 N -2.45 -0.31 0.23 3.60 0.00 -1.25 -0.22 120.51 120.11 3b6g n ALA 47 Ca -0.04 0.49 0.12 0.00 0.00 0.00 0.00 53.44 54.01 3b6g n ALA 47 Cb 0.40 -0.11 0.45 0.00 0.00 0.00 0.00 19.45 20.20 3b6g n ALA 47 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3b6g h PRO 48 N 0.00 0.00 0.75 0.00 0.13 -1.78 0.00 132.00 131.10 3b6g h PRO 48 Ca 0.11 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.20 3b6g h PRO 48 Cb 0.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.38 3b6g h PRO 48 CO -0.53 0.13 -0.36 0.28 -0.23 0.00 0.00 178.00 177.29 3b6g h VAL 49 N 0.00 0.00 -0.18 1.56 2.07 -0.83 0.05 116.25 118.93 3b6g h VAL 49 Ca -0.00 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.41 3b6g h VAL 49 Cb 0.76 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.46 3b6g h VAL 49 CO 0.02 0.00 -0.53 0.22 0.02 0.00 0.00 177.57 177.30 3b6g h TYR 50 N -1.15 -1.57 -0.44 1.57 -0.00 -1.31 0.33 116.97 114.39 3b6g h TYR 50 Ca -0.10 0.06 0.08 0.00 -0.00 0.00 0.00 58.73 58.77 3b6g h TYR 50 Cb 0.77 0.71 -0.07 0.00 -0.00 0.00 0.00 36.73 38.14 3b6g h TYR 50 CO 0.02 -0.53 0.04 1.25 -0.00 0.00 0.00 178.16 178.94 3b6g h LEU 51 N -0.54 -0.11 0.12 2.82 5.85 -1.03 0.38 115.31 122.80 3b6g h LEU 51 Ca 0.05 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3b6g h LEU 51 Cb 0.66 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.85 3b6g h LEU 51 CO -0.46 -0.02 -0.06 0.00 -0.34 0.00 0.00 178.44 177.56 3b6g h ALA 52 N 1.37 -0.17 -0.33 1.25 0.00 -0.52 -1.58 119.26 119.29 3b6g h ALA 52 Ca 0.22 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3b6g h ALA 52 Cb 0.31 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 3b6g h ALA 52 CO -0.33 -0.59 -0.53 0.00 0.00 0.00 0.00 179.25 177.80 3b6g h ALA 53 N 0.71 -0.74 -0.38 0.00 0.00 0.50 0.24 119.26 119.59 3b6g h ALA 53 Ca -0.02 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3b6g h ALA 53 Cb 0.13 1.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 3b6g h ALA 53 CO 0.03 -1.03 0.13 0.28 0.00 0.00 0.00 179.25 178.66 3b6g h VAL 54 N -0.44 0.88 -0.11 0.00 2.07 -0.79 0.80 116.25 118.66 3b6g h VAL 54 Ca 0.07 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3b6g h VAL 54 Cb 0.62 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 3b6g h VAL 54 CO -0.55 0.05 -0.19 -0.07 0.02 0.00 0.00 177.57 176.84 3b6g h LEU 55 N 0.28 -0.58 -0.17 2.57 3.38 -0.93 -2.68 115.31 117.19 3b6g h LEU 55 Ca 0.18 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.30 3b6g h LEU 55 Cb 0.16 0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 3b6g h LEU 55 CO -0.18 -0.24 -0.31 -0.08 0.09 0.00 0.00 178.44 177.72 3b6g h GLU 56 N -0.25 -0.35 -0.20 1.13 4.81 0.18 -1.67 114.58 118.23 3b6g h GLU 56 Ca 0.09 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 3b6g h GLU 56 Cb 0.38 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.79 3b6g h GLU 56 CO -0.25 -0.23 -0.12 -0.92 -0.73 0.00 0.00 179.01 176.75 3b6g h TYR 57 N -0.36 -0.29 -0.66 0.92 3.20 -1.15 -0.97 116.97 117.65 3b6g h TYR 57 Ca 0.11 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.11 3b6g h TYR 57 Cb 0.53 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 3b6g h TYR 57 CO -0.42 -0.18 0.44 -0.07 -1.64 0.00 0.00 178.16 176.30 3b6g h LEU 58 N -0.11 0.42 -0.26 2.82 3.38 -1.04 0.48 115.31 120.99 3b6g h LEU 58 Ca 0.11 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 3b6g h LEU 58 Cb 0.28 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3b6g h LEU 58 CO -0.27 0.25 -0.46 0.74 0.09 0.00 0.00 178.44 178.79 3b6g h THR 59 N 0.46 0.84 -0.09 0.22 2.02 -0.58 -2.17 112.91 113.61 3b6g h THR 59 Ca 0.31 -2.00 -0.18 0.00 0.77 0.00 0.00 66.41 65.31 3b6g h THR 59 Cb 0.59 2.28 0.01 0.00 -1.74 0.00 0.00 68.15 69.29 3b6g h THR 59 CO -0.10 0.45 -0.65 0.00 0.37 0.00 0.00 175.52 175.59 3b6g h ALA 60 N 1.54 0.20 -0.08 6.16 0.00 0.56 -3.08 119.26 124.56 3b6g h ALA 60 Ca -0.00 -0.56 0.03 0.00 0.00 0.00 0.00 54.91 54.38 3b6g h ALA 60 Cb 1.24 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 3b6g h ALA 60 CO 0.06 0.49 -0.12 1.49 0.00 0.00 0.00 179.25 181.18 3b6g h GLU 61 N 0.24 -0.15 0.42 0.00 4.57 0.13 -0.64 114.58 119.15 3b6g h GLU 61 Ca -0.05 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3b6g h GLU 61 Cb 1.30 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.92 3b6g h GLU 61 CO 0.13 -0.10 -0.24 0.82 -1.18 0.00 0.00 179.01 178.44 3b6g h ILE 62 N -0.16 0.00 -0.91 2.32 2.04 -1.53 -3.19 117.51 116.09 3b6g h ILE 62 Ca 0.07 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.19 3b6g h ILE 62 Cb 0.26 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.19 3b6g h ILE 62 CO -0.18 0.00 0.30 -0.07 0.00 0.00 0.00 178.15 178.20 3b6g h LEU 63 N -0.61 0.09 -0.28 1.44 3.38 -1.42 0.34 115.31 118.24 3b6g h LEU 63 Ca -0.06 0.20 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3b6g h LEU 63 Cb 0.49 0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 3b6g h LEU 63 CO 0.07 -0.16 -0.35 -0.08 0.09 0.00 0.00 178.44 178.00 3b6g h GLU 64 N 0.22 -0.23 0.00 1.13 4.57 -1.14 0.67 114.58 119.81 3b6g h GLU 64 Ca 0.59 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.73 3b6g h GLU 64 Cb 1.23 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 3b6g h GLU 64 CO -0.66 -0.15 -0.26 -0.07 -1.18 0.00 0.00 179.01 176.69 3b6g h LEU 65 N -0.24 0.00 -0.73 1.64 3.38 -0.49 -1.88 115.31 116.99 3b6g h LEU 65 Ca 0.05 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 3b6g h LEU 65 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3b6g h LEU 65 CO -0.39 0.26 -0.52 0.00 0.09 0.00 0.00 178.44 177.88 3b6g h ALA 66 N 1.74 0.92 0.07 1.53 0.00 0.34 -0.48 119.26 123.38 3b6g h ALA 66 Ca -0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3b6g h ALA 66 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3b6g h ALA 66 CO 0.03 0.65 -0.03 0.78 0.00 0.00 0.00 179.25 180.68 3b6g h GLY 67 N 2.17 -0.10 0.34 0.00 0.00 0.11 -3.23 103.07 102.36 3b6g h GLY 67 Ca -0.01 0.04 0.10 0.00 0.00 0.00 0.00 47.33 47.47 3b6g h GLY 67 CO 0.07 -0.04 0.26 3.43 0.00 0.00 0.00 176.54 180.26 3b6g h ASN 68 N -0.68 0.26 -0.63 0.19 2.35 -1.34 -2.23 115.58 113.51 3b6g h ASN 68 Ca -0.01 0.08 0.09 0.00 -0.55 0.00 0.00 56.30 55.91 3b6g h ASN 68 Cb 0.56 0.06 -0.07 0.00 0.05 0.00 0.00 38.32 38.92 3b6g h ASN 68 CO 0.02 0.14 0.28 0.00 -1.65 0.00 0.00 177.43 176.22 3b6g h ALA 69 N 1.45 0.83 -0.51 -0.83 0.00 -1.16 -1.28 119.26 117.75 3b6g h ALA 69 Ca 0.34 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.21 3b6g h ALA 69 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3b6g h ALA 69 CO -0.33 -0.12 -0.06 0.00 0.00 0.00 0.00 179.25 178.74 3b6g h ALA 70 N 1.40 0.70 0.00 0.00 0.00 -1.50 -2.95 119.26 116.91 3b6g h ALA 70 Ca 0.31 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3b6g h ALA 70 Cb 0.34 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3b6g h ALA 70 CO -0.27 0.56 0.00 -0.09 0.00 0.00 0.00 179.25 179.45 3b6g h ARG 71 N 0.81 0.00 0.17 0.00 2.43 -0.67 0.16 114.38 117.29 3b6g h ARG 71 Ca 0.14 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 59.01 3b6g h ARG 71 Cb 0.61 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.17 3b6g h ARG 71 CO 0.04 0.00 -1.36 -0.44 -1.51 0.00 0.00 179.97 176.70 3b6g h ASP 72 N 0.00 0.57 -0.84 -3.80 3.32 -1.17 -3.34 116.42 111.16 3b6g h ASP 72 Ca 0.00 -0.63 -0.50 0.00 0.02 0.00 0.00 57.03 55.93 3b6g h ASP 72 Cb 0.15 -0.19 -0.25 0.00 0.22 0.00 0.00 39.33 39.26 3b6g h ASP 72 CO 0.00 1.49 0.64 0.59 -1.72 0.00 0.00 179.24 180.24 3b6g n ASN 73 N -3.59 5.30 -4.00 6.45 3.02 0.52 -4.93 115.26 118.03 3b6g n ASN 73 Ca -0.12 -3.45 -0.32 0.00 -0.03 0.00 0.00 54.58 50.65 3b6g n ASN 73 Cb 1.06 -0.88 -0.01 0.00 -0.61 0.00 0.00 39.78 39.33 3b6g n ASN 73 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3b6g n LYS 74 N -0.73 -1.72 -3.98 3.52 4.76 -0.89 -4.97 118.16 114.13 3b6g n LYS 74 Ca 0.52 0.28 -0.09 0.00 -2.87 0.00 0.00 58.31 56.15 3b6g n LYS 74 Cb 1.11 -3.83 -0.10 0.00 -1.84 0.00 0.00 35.03 30.37 3b6g n LYS 74 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3b6g s LYS 75 N -6.79 0.48 -0.23 1.97 1.02 -1.00 -5.04 119.74 110.16 3b6g s LYS 75 Ca 0.21 -0.79 0.04 0.00 0.02 0.00 0.00 55.97 55.44 3b6g s LYS 75 Cb -0.09 0.18 -0.19 0.00 -0.52 0.00 0.00 37.83 37.20 3b6g s LYS 75 CO 0.92 -0.10 -0.11 0.25 -0.92 0.00 0.00 175.35 175.39 3b6g n THR 76 N 0.96 1.50 -3.97 2.17 -2.24 -1.26 -3.98 114.28 107.46 3b6g n THR 76 Ca -0.20 -0.63 -0.33 0.00 -2.27 0.00 0.00 64.05 60.62 3b6g n THR 76 Cb 0.58 -1.29 -0.05 0.00 -2.10 0.00 0.00 70.33 67.47 3b6g n THR 76 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3b6g s ARG 77 N -2.52 3.31 -0.18 -0.78 3.52 -1.26 -5.03 118.95 116.01 3b6g s ARG 77 Ca -0.29 -0.38 -0.25 0.00 -0.13 0.00 0.00 55.73 54.67 3b6g s ARG 77 Cb 0.08 -3.01 -0.01 0.00 -1.56 0.00 0.00 34.95 30.45 3b6g s ARG 77 CO 0.66 0.66 0.84 0.42 -0.81 0.00 0.00 175.30 177.07 3b6g s ILE 78 N -1.29 4.87 0.30 4.11 1.01 -1.26 -5.01 121.20 123.92 3b6g s ILE 78 Ca 0.26 1.64 0.07 0.00 0.00 0.00 0.00 60.65 62.63 3b6g s ILE 78 Cb -0.12 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 3b6g s ILE 78 CO 0.18 0.00 0.25 0.27 0.00 0.00 0.00 174.94 175.64 3b6g s ILE 79 N 2.29 3.88 0.25 2.92 -4.36 -1.26 -5.00 121.20 119.92 3b6g s ILE 79 Ca 0.38 -1.40 -0.06 0.00 -0.26 0.00 0.00 60.65 59.31 3b6g s ILE 79 Cb -0.16 -3.26 0.28 0.00 1.25 0.00 0.00 42.46 40.57 3b6g s ILE 79 CO 0.11 -0.25 1.64 -0.65 0.24 0.00 0.00 174.94 176.03 3b6g h PRO 80 N 1.36 0.10 -0.89 0.37 0.11 -1.91 0.31 132.00 131.46 3b6g h PRO 80 Ca -0.46 -0.01 0.26 0.00 0.11 0.00 0.00 66.00 65.90 3b6g h PRO 80 Cb 1.25 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 3b6g h PRO 80 CO 0.59 0.07 0.83 -0.09 -0.21 0.00 0.00 178.00 179.19 3b6g h ARG 81 N 0.11 0.00 0.00 1.05 9.65 -1.74 1.02 114.38 124.47 3b6g h ARG 81 Ca 0.42 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.26 3b6g h ARG 81 Cb 0.74 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.32 3b6g h ARG 81 CO -0.67 0.00 -0.18 0.45 2.80 0.00 0.00 179.97 182.37 3b6g h HIS 82 N 0.00 0.00 0.01 2.20 3.86 -0.70 -2.79 115.15 117.72 3b6g h HIS 82 Ca 0.42 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.63 3b6g h HIS 82 Cb 2.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.55 3b6g h HIS 82 CO 0.00 0.18 -0.00 -0.07 0.86 0.00 0.00 177.93 178.90 3b6g h LEU 83 N 0.00 -0.01 -0.61 2.43 3.38 0.11 -3.10 115.31 117.52 3b6g h LEU 83 Ca -0.00 -0.37 0.12 0.00 0.09 0.00 0.00 57.88 57.73 3b6g h LEU 83 Cb 1.13 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.78 3b6g h LEU 83 CO 0.02 0.67 0.09 -0.61 0.09 0.00 0.00 178.44 178.71 3b6g h GLN 84 N -1.00 0.20 -0.36 1.13 5.75 -1.44 0.14 115.11 119.53 3b6g h GLN 84 Ca -0.00 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.43 3b6g h GLN 84 Cb 0.37 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 3b6g h GLN 84 CO 0.00 0.13 -0.03 -0.07 -2.65 0.00 0.00 178.83 176.21 3b6g h LEU 85 N 0.21 0.56 -0.20 -2.39 3.38 -1.68 -2.86 115.31 112.32 3b6g h LEU 85 Ca 0.33 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3b6g h LEU 85 Cb 0.51 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3b6g h LEU 85 CO -0.45 0.65 0.06 0.00 0.09 0.00 0.00 178.44 178.79 3b6g h ALA 86 N 1.42 0.26 0.35 1.53 0.00 -0.75 -3.29 119.26 118.78 3b6g h ALA 86 Ca 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3b6g h ALA 86 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3b6g h ALA 86 CO 0.02 -0.11 -0.17 0.28 0.00 0.00 0.00 179.25 179.27 3b6g h VAL 87 N 0.15 0.53 -0.36 0.00 2.07 -0.73 -3.33 116.25 114.57 3b6g h VAL 87 Ca 0.06 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 3b6g h VAL 87 Cb 0.24 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3b6g h VAL 87 CO -0.00 0.10 -0.17 0.03 0.02 0.00 0.00 177.57 177.55 3b6g h ARG 88 N -0.90 0.66 0.00 1.57 2.47 -1.68 -2.47 114.38 114.03 3b6g h ARG 88 Ca -0.05 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.44 3b6g h ARG 88 Cb 0.53 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 3b6g h ARG 88 CO 0.08 0.80 0.00 0.09 0.56 0.00 0.00 179.97 181.50 3b6g n ASN 89 N -4.15 0.00 -4.14 7.04 3.02 -1.24 -4.53 115.26 111.26 3b6g n ASN 89 Ca 0.01 0.28 -0.32 0.00 -0.03 0.00 0.00 54.58 54.51 3b6g n ASN 89 Cb 0.38 -0.32 -0.16 0.00 -0.61 0.00 0.00 39.78 39.07 3b6g n ASN 89 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3b6g s ASP 90 N -2.64 3.03 0.09 6.41 2.15 -0.93 -5.05 116.67 119.72 3b6g s ASP 90 Ca 0.03 -0.59 -0.29 0.00 0.43 0.00 0.00 52.55 52.13 3b6g s ASP 90 Cb 0.03 -1.40 -0.15 0.00 -0.30 0.00 0.00 42.92 41.09 3b6g s ASP 90 CO 0.06 0.05 1.65 -0.08 -0.17 0.00 0.00 175.17 176.68 3b6g h GLU 91 N 7.51 -0.57 0.00 4.34 4.81 -1.83 -2.01 114.58 126.83 3b6g h GLU 91 Ca -0.36 0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 58.84 3b6g h GLU 91 Cb 1.17 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 3b6g h GLU 91 CO 0.57 -0.38 -0.34 0.93 -0.73 0.00 0.00 179.01 179.05 3b6g h GLU 92 N -0.59 0.00 0.08 1.92 5.08 -1.96 -2.51 114.58 116.60 3b6g h GLU 92 Ca -0.04 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.04 3b6g h GLU 92 Cb 0.49 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.76 3b6g h GLU 92 CO 0.04 0.34 -1.17 -0.07 -1.00 0.00 0.00 179.01 177.16 3b6g h LEU 93 N 0.00 0.80 -0.78 1.33 3.38 -1.82 -3.00 115.31 115.22 3b6g h LEU 93 Ca -0.00 -0.72 0.12 0.00 0.09 0.00 0.00 57.88 57.37 3b6g h LEU 93 Cb 0.94 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.36 3b6g h LEU 93 CO 0.04 1.52 0.38 -1.13 0.09 0.00 0.00 178.44 179.35 3b6g h ASN 94 N 0.28 0.46 -0.47 -0.43 -1.24 -0.95 0.27 115.58 113.49 3b6g h ASN 94 Ca -0.16 0.08 -0.11 0.00 0.71 0.00 0.00 56.30 56.82 3b6g h ASN 94 Cb 1.83 0.01 -0.01 0.00 0.73 0.00 0.00 38.32 40.88 3b6g h ASN 94 CO 0.22 0.22 -0.15 0.50 -1.29 0.00 0.00 177.43 176.93 3b6g h LYS 95 N 0.59 0.94 -0.03 6.67 3.64 -1.57 0.78 116.57 127.59 3b6g h LYS 95 Ca 0.41 -0.38 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 3b6g h LYS 95 Cb 0.52 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 3b6g h LYS 95 CO -0.33 1.04 -0.26 1.25 -2.27 0.00 0.00 179.45 178.88 3b6g h LEU 96 N 0.78 0.04 -3.35 5.20 5.85 -0.92 -0.25 115.31 122.67 3b6g h LEU 96 Ca 0.11 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 3b6g h LEU 96 Cb 0.71 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 3b6g h LEU 96 CO 0.05 0.30 0.01 0.18 -0.34 0.00 0.00 178.44 178.64 3b6g n LEU 97 N -4.22 4.19 -0.11 2.25 4.77 0.77 -4.80 117.00 119.84 3b6g n LEU 97 Ca -0.02 -3.38 0.27 0.00 -0.03 0.00 0.00 56.01 52.85 3b6g n LEU 97 Cb 0.32 -0.60 0.68 0.00 -2.33 0.00 0.00 43.42 41.49 3b6g n LEU 97 CO 0.38 0.95 1.25 1.23 -1.33 0.00 0.00 177.39 179.86 3b6g h GLY 98 N 1.43 0.00 -5.30 -0.72 0.00 0.25 -1.51 103.07 97.21 3b6g h GLY 98 Ca 0.14 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.98 3b6g h GLY 98 CO 0.35 0.00 -1.01 0.54 0.00 0.00 0.00 176.54 176.43 3b6g n ARG 99 N -3.76 1.91 -4.22 4.80 5.12 -1.26 -4.98 116.66 114.27 3b6g n ARG 99 Ca 0.17 -3.84 -0.16 0.00 -1.93 0.00 0.00 57.85 52.09 3b6g n ARG 99 Cb 1.03 -1.77 -0.14 0.00 -1.16 0.00 0.00 32.46 30.42 3b6g n ARG 99 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3b6g s VAL 100 N -3.59 0.60 -0.27 1.55 1.01 -0.57 -5.14 120.40 113.99 3b6g s VAL 100 Ca 0.39 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.86 3b6g s VAL 100 Cb 0.38 -0.55 0.07 0.00 0.00 0.00 0.00 36.38 36.28 3b6g s VAL 100 CO -0.08 0.02 -0.07 -0.89 0.00 0.00 0.00 175.10 174.08 3b6g s THR 101 N -0.50 2.10 -0.19 3.92 2.01 -1.26 -5.05 115.64 116.67 3b6g s THR 101 Ca -0.00 -1.73 -0.29 0.00 0.31 0.00 0.00 61.69 59.98 3b6g s THR 101 Cb -0.05 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.15 3b6g s THR 101 CO 0.00 -0.15 1.25 -0.63 -0.69 0.00 0.00 174.62 174.40 3b6g s ILE 102 N 1.10 4.29 0.14 1.82 1.01 -1.26 -4.99 121.20 123.31 3b6g s ILE 102 Ca -0.05 1.54 -0.31 0.00 0.00 0.00 0.00 60.65 61.84 3b6g s ILE 102 Cb -0.20 -4.04 -0.09 0.00 0.01 0.00 0.00 42.46 38.14 3b6g s ILE 102 CO -0.06 -0.18 1.52 0.00 0.00 0.00 0.00 174.94 176.21 3b6g s ALA 103 N 3.60 3.71 -1.80 9.38 0.00 -1.26 -1.38 121.76 134.01 3b6g s ALA 103 Ca 0.54 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.78 3b6g s ALA 103 Cb -0.21 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.31 3b6g s ALA 103 CO 0.15 -0.76 0.00 1.04 0.00 0.00 0.00 175.76 176.20 3b6g n GLN 104 N 4.12 -1.43 0.02 0.00 1.13 -1.26 -4.91 117.38 115.04 3b6g n GLN 104 Ca 0.13 1.03 -0.19 0.00 -1.94 0.00 0.00 57.00 56.03 3b6g n GLN 104 Cb 0.40 -5.48 -0.10 0.00 0.11 0.00 0.00 30.24 25.17 3b6g n GLN 104 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 3b6g h GLY 105 N 0.00 0.73 0.00 1.08 0.00 -1.54 -3.34 103.07 100.00 3b6g h GLY 105 Ca -0.42 -1.23 0.00 0.00 0.00 0.00 0.00 47.33 45.67 3b6g h GLY 105 CO 0.55 1.09 0.00 0.61 0.00 0.00 0.00 176.54 178.79 3b6g n GLY 106 N 1.01 -1.42 3.11 4.60 0.00 -1.26 -4.25 105.19 106.98 3b6g n GLY 106 Ca -0.10 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 3b6g n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3b6g s VAL 107 N 0.00 0.10 0.40 1.61 -7.23 -1.26 -5.00 120.40 109.02 3b6g s VAL 107 Ca 0.00 -0.85 -0.27 0.00 -1.81 0.00 0.00 61.98 59.05 3b6g s VAL 107 Cb 0.00 -0.62 -0.10 0.00 0.56 0.00 0.00 36.38 36.23 3b6g s VAL 107 CO 0.00 -0.47 1.45 -0.76 -0.31 0.00 0.00 175.10 175.01 3b6g s LEU 108 N -1.69 4.25 -0.61 1.32 1.43 -1.26 -4.89 118.68 117.22 3b6g s LEU 108 Ca -0.11 2.98 -0.27 0.00 -1.03 0.00 0.00 54.13 55.71 3b6g s LEU 108 Cb -0.05 -3.76 -0.02 0.00 0.03 0.00 0.00 46.19 42.38 3b6g s LEU 108 CO -0.01 -0.96 1.85 -2.84 0.23 0.00 0.00 176.35 174.62 3b6g s PRO 109 N -2.21 2.64 -0.04 1.29 0.02 -1.26 -4.95 135.00 130.50 3b6g s PRO 109 Ca 0.55 0.61 -0.03 0.00 0.02 0.00 0.00 61.00 62.16 3b6g s PRO 109 Cb -0.45 -4.38 0.01 0.00 0.02 0.00 0.00 34.50 29.70 3b6g s PRO 109 CO 0.60 -2.71 0.09 1.21 -0.33 0.00 0.00 177.00 175.86 3b6g s ASN 110 N 8.02 -0.08 -0.03 2.53 3.84 -1.26 -5.15 114.94 122.80 3b6g s ASN 110 Ca 0.67 0.18 0.04 0.00 0.21 0.00 0.00 52.86 53.96 3b6g s ASN 110 Cb -0.13 0.16 -0.00 0.00 -0.55 0.00 0.00 41.25 40.73 3b6g s ASN 110 CO 0.21 -0.05 -0.14 -0.63 -2.79 0.00 0.00 177.10 173.69 3b6g s ILE 111 N 0.28 1.18 0.28 -5.21 1.01 -1.26 -5.12 121.20 112.36 3b6g s ILE 111 Ca -0.02 -0.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.74 3b6g s ILE 111 Cb -0.03 -1.01 -0.10 0.00 0.01 0.00 0.00 42.46 41.32 3b6g s ILE 111 CO -0.01 0.34 1.47 -1.10 0.00 0.00 0.00 174.94 175.65 3b6g s GLN 112 N -0.03 4.22 0.52 2.79 -1.52 -1.26 -4.91 119.66 119.47 3b6g s GLN 112 Ca -0.01 2.39 0.31 0.00 -1.95 0.00 0.00 55.36 56.10 3b6g s GLN 112 Cb -0.09 -3.07 1.26 0.00 -0.22 0.00 0.00 33.01 30.89 3b6g s GLN 112 CO 0.01 -0.47 1.95 0.66 -0.25 0.00 0.00 175.29 177.19 3b6g h SER 113 N 4.64 0.00 0.96 5.90 4.64 -2.00 -2.42 113.55 125.26 3b6g h SER 113 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3b6g h SER 113 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3b6g h SER 113 CO 0.76 0.06 0.00 0.55 -0.87 0.00 0.00 176.83 177.33 3b6g n VAL 114 N -3.20 0.65 1.02 0.95 3.14 -1.26 -2.93 118.33 116.71 3b6g n VAL 114 Ca 0.00 0.04 0.11 0.00 -2.96 0.00 0.00 64.34 61.53 3b6g n VAL 114 Cb 0.33 -0.84 0.33 0.00 -1.06 0.00 0.00 33.84 32.60 3b6g n VAL 114 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3b6g n LEU 115 N -1.99 2.05 -4.75 6.55 4.77 -0.91 -4.72 117.00 118.00 3b6g n LEU 115 Ca 0.04 -0.87 -0.41 0.00 -0.03 0.00 0.00 56.01 54.75 3b6g n LEU 115 Cb 0.30 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 3b6g n LEU 115 CO 0.23 0.44 0.79 -0.76 -1.33 0.00 0.00 177.39 176.76 3b6g s LEU 116 N -1.52 4.52 0.68 2.23 1.43 -1.15 -5.00 118.68 119.87 3b6g s LEU 116 Ca 0.33 2.16 -0.17 0.00 -1.03 0.00 0.00 54.13 55.43 3b6g s LEU 116 Cb 0.18 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.73 3b6g s LEU 116 CO 0.27 -0.18 0.47 -2.65 0.23 0.00 0.00 176.35 174.49 3b6g n PRO 117 N 1.86 0.34 -2.68 1.29 -0.02 -1.26 -4.38 135.00 130.15 3b6g n PRO 117 Ca 0.01 0.15 -0.03 0.00 -2.02 0.00 0.00 63.50 61.61 3b6g n PRO 117 Cb 0.46 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 3b6g n PRO 117 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3b6g n LYS 118 N -0.41 -2.86 0.00 -0.52 2.85 -1.26 -4.49 118.16 111.48 3b6g n LYS 118 Ca 0.10 2.40 0.00 0.00 -1.05 0.00 0.00 58.31 59.76 3b6g n LYS 118 Cb 0.49 -5.20 0.00 0.00 -0.65 0.00 0.00 35.03 29.67 3b6g n LYS 118 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3b6g n LYS 119 N 0.28 0.00 -3.46 -1.58 4.81 -1.26 -3.98 118.16 112.97 3b6g n LYS 119 Ca 0.04 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.31 3b6g n LYS 119 Cb 0.17 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.10 3b6g n LYS 119 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3b6g s THR 120 N 0.00 -0.37 0.00 3.15 2.01 -1.26 -4.71 115.64 114.46 3b6g s THR 120 Ca 0.00 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 61.81 3b6g s THR 120 Cb 0.00 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.75 3b6g s THR 120 CO 0.00 -0.26 0.00 1.21 -0.69 0.00 0.00 174.62 174.88