#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqt n PRO 2 N 0.00 0.74 -1.35 1.61 -0.04 -1.26 -2.53 135.00 132.16 1bqt n PRO 2 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1bqt n PRO 2 Cb 0.00 -1.13 0.01 0.00 -0.04 0.00 0.00 33.50 32.34 1bqt n PRO 2 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1bqt n GLU 3 N 1.53 0.17 0.00 0.54 1.02 -1.26 -4.74 120.64 117.90 1bqt n GLU 3 Ca 0.00 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1bqt n GLU 3 Cb 0.37 0.22 0.00 0.00 -0.02 0.00 0.00 31.44 32.00 1bqt n GLU 3 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1bqt n THR 4 N -0.20 0.00 0.37 2.62 -2.24 -1.05 -4.90 114.28 108.89 1bqt n THR 4 Ca -0.04 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.78 1bqt n THR 4 Cb 0.49 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.91 1bqt n THR 4 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1bqt n LEU 5 N 0.00 2.79 -1.09 3.22 7.94 -1.26 -4.89 117.00 123.70 1bqt n LEU 5 Ca 0.00 -1.41 0.00 0.00 -1.11 0.00 0.00 56.01 53.49 1bqt n LEU 5 Cb 0.00 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 43.49 1bqt n LEU 5 CO 0.00 0.45 0.00 0.00 -1.11 0.00 0.00 177.39 176.73 1bqt n GLY 7 N 0.00 1.93 0.00 0.00 0.00 -1.04 -4.00 105.19 102.08 1bqt n GLY 7 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1bqt n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqt n ALA 8 N 0.08 0.00 -2.36 4.61 0.00 -1.26 -4.97 120.51 116.61 1bqt n ALA 8 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1bqt n ALA 8 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1bqt n ALA 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bqt s GLU 9 N -0.96 3.30 0.00 0.00 0.41 -1.26 -2.91 118.70 117.28 1bqt s GLU 9 Ca 0.00 -1.43 0.00 0.00 -0.41 0.00 0.00 54.97 53.13 1bqt s GLU 9 Cb 0.00 -5.37 0.00 0.00 -1.78 0.00 0.00 34.13 26.98 1bqt s GLU 9 CO 0.00 -2.93 0.00 1.28 -0.49 0.00 0.00 175.26 173.12 1bqt n LEU 10 N 11.00 0.00 -0.17 1.80 4.77 -1.26 -4.20 117.00 128.94 1bqt n LEU 10 Ca 0.44 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.33 1bqt n LEU 10 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1bqt n LEU 10 CO 0.71 0.00 0.85 0.58 -1.33 0.00 0.00 177.39 178.20 1bqt h VAL 11 N 0.00 1.25 0.00 4.08 2.07 -1.94 -0.91 116.25 120.80 1bqt h VAL 11 Ca 0.00 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1bqt h VAL 11 Cb 0.00 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1bqt h VAL 11 CO 0.00 0.33 0.00 -0.67 0.02 0.00 0.00 177.57 177.25 1bqt n ASP 12 N -4.43 0.00 -0.04 0.57 -0.08 -1.21 -2.61 116.55 108.75 1bqt n ASP 12 Ca 0.01 -0.44 -0.02 0.00 -1.51 0.00 0.00 54.79 52.83 1bqt n ASP 12 Cb 0.25 -0.15 -0.01 0.00 2.34 0.00 0.00 41.12 43.56 1bqt n ASP 12 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bqt h ALA 13 N 3.46 0.00 -0.38 -1.67 0.00 -1.47 -3.32 119.26 115.88 1bqt h ALA 13 Ca 0.00 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.79 1bqt h ALA 13 Cb 0.13 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1bqt h ALA 13 CO 0.00 0.18 0.29 1.37 0.00 0.00 0.00 179.25 181.09 1bqt h LEU 14 N -0.66 0.00 -2.93 0.00 -0.00 -1.43 0.29 115.31 110.58 1bqt h LEU 14 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.65 1bqt h LEU 14 Cb 0.18 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 40.71 1bqt h LEU 14 CO 0.00 0.00 0.29 0.00 -0.00 0.00 0.00 178.44 178.73 1bqt n GLN 15 N -4.35 1.55 0.13 0.17 6.02 -1.07 -1.75 117.38 118.08 1bqt n GLN 15 Ca 0.06 -1.28 0.00 0.00 -0.01 0.00 0.00 57.00 55.77 1bqt n GLN 15 Cb 0.47 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.23 1bqt n GLN 15 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1bqt n PHE 16 N -0.09 -2.37 0.19 1.08 7.35 0.96 -4.37 117.46 120.22 1bqt n PHE 16 Ca 0.25 0.47 0.08 0.00 -0.76 0.00 0.00 57.45 57.50 1bqt n PHE 16 Cb 0.93 0.84 0.17 0.00 0.35 0.00 0.00 39.48 41.77 1bqt n PHE 16 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1bqt h VAL 17 N 0.00 0.39 0.00 -2.13 2.07 -1.52 -3.26 116.25 111.80 1bqt h VAL 17 Ca 0.00 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1bqt h VAL 17 Cb 0.00 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1bqt h VAL 17 CO 0.00 0.21 -0.32 0.00 0.02 0.00 0.00 177.57 177.48 1bqt n GLY 19 N -0.44 -0.74 0.86 0.00 0.00 -0.72 -2.26 105.19 101.89 1bqt n GLY 19 Ca 0.05 0.66 -0.05 0.00 0.00 0.00 0.00 46.02 46.68 1bqt n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bqt n ASP 20 N -4.41 -0.64 -0.05 1.61 9.92 -1.26 -4.89 116.55 116.83 1bqt n ASP 20 Ca 0.36 -1.71 -0.05 0.00 -0.53 0.00 0.00 54.79 52.86 1bqt n ASP 20 Cb 1.40 0.19 -0.09 0.00 -0.64 0.00 0.00 41.12 41.98 1bqt n ASP 20 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1bqt n ARG 21 N 0.01 2.09 0.00 -1.24 3.00 -0.96 -5.00 116.66 114.56 1bqt n ARG 21 Ca -0.19 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.65 1bqt n ARG 21 Cb 0.65 -1.28 0.00 0.00 0.00 0.00 0.00 32.46 31.83 1bqt n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1bqt n GLY 22 N 2.29 -0.59 2.73 5.14 0.00 -1.20 -4.87 105.19 108.70 1bqt n GLY 22 Ca -0.17 0.74 -0.20 0.00 0.00 0.00 0.00 46.02 46.39 1bqt n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bqt s PHE 23 N 0.00 -0.03 -0.12 1.61 -0.71 -1.25 -1.23 117.98 116.24 1bqt s PHE 23 Ca 0.00 0.30 0.24 0.00 -1.04 0.00 0.00 56.93 56.43 1bqt s PHE 23 Cb 0.00 -0.42 0.46 0.00 -1.21 0.00 0.00 43.02 41.85 1bqt s PHE 23 CO 0.00 -0.30 1.15 0.66 -1.34 0.00 0.00 175.22 175.39 1bqt n TYR 24 N 5.31 0.53 1.66 3.49 4.01 -1.26 -4.84 117.16 126.07 1bqt n TYR 24 Ca -0.04 -1.24 0.07 0.00 -0.16 0.00 0.00 57.90 56.52 1bqt n TYR 24 Cb 0.50 -0.15 0.35 0.00 -0.31 0.00 0.00 39.34 39.72 1bqt n TYR 24 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1bqt n PHE 25 N -0.02 0.11 -1.47 -0.72 -0.00 -1.26 -4.87 117.46 109.23 1bqt n PHE 25 Ca 0.06 -0.06 -0.37 0.00 -0.00 0.00 0.00 57.45 57.08 1bqt n PHE 25 Cb 0.98 0.00 -0.16 0.00 -0.00 0.00 0.00 39.48 40.30 1bqt n PHE 25 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1bqt n ASN 26 N -0.28 -0.03 -2.93 -2.13 4.13 -1.26 -4.71 115.26 108.04 1bqt n ASN 26 Ca 0.11 0.05 -0.14 0.00 1.68 0.00 0.00 54.58 56.28 1bqt n ASN 26 Cb 0.15 -0.83 -0.00 0.00 -1.54 0.00 0.00 39.78 37.56 1bqt n ASN 26 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1bqt n LYS 27 N 7.78 1.10 -2.30 3.52 2.85 -1.26 -5.03 118.16 124.82 1bqt n LYS 27 Ca 0.65 -3.34 -0.38 0.00 -1.05 0.00 0.00 58.31 54.19 1bqt n LYS 27 Cb 0.05 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 32.90 1bqt n LYS 27 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1bqt s PRO 28 N -2.78 2.96 0.08 -1.58 0.04 -1.26 -4.58 135.00 127.88 1bqt s PRO 28 Ca 0.34 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.31 1bqt s PRO 28 Cb 0.40 -4.54 0.00 0.00 0.04 0.00 0.00 34.50 30.40 1bqt s PRO 28 CO -0.02 -2.54 0.00 0.25 0.04 0.00 0.00 177.00 174.73 1bqt n THR 29 N 6.96 -7.68 0.00 1.26 -2.24 -1.26 -4.98 114.28 106.33 1bqt n THR 29 Ca 0.19 1.91 0.00 0.00 -2.27 0.00 0.00 64.05 63.87 1bqt n THR 29 Cb 0.50 -3.60 0.00 0.00 -2.10 0.00 0.00 70.33 65.13 1bqt n THR 29 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bqt n GLY 30 N 1.82 0.16 3.09 3.38 0.00 -1.26 -5.13 105.19 107.25 1bqt n GLY 30 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1bqt n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bqt s TYR 31 N -0.11 -1.34 -0.80 1.61 1.51 -1.26 -4.99 117.35 111.97 1bqt s TYR 31 Ca 0.00 0.31 -0.17 0.00 -1.01 0.00 0.00 57.07 56.20 1bqt s TYR 31 Cb 0.00 0.24 -0.22 0.00 -0.11 0.00 0.00 41.96 41.88 1bqt s TYR 31 CO 0.00 -0.89 1.96 0.41 -1.11 0.00 0.00 175.55 175.92 1bqt n GLY 32 N 4.40 -0.39 2.95 0.71 0.00 -1.26 -2.45 105.19 109.14 1bqt n GLY 32 Ca 0.09 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1bqt n GLY 32 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bqt n SER 33 N 6.62 -6.05 -3.13 1.61 2.88 -1.26 -3.78 113.62 110.51 1bqt n SER 33 Ca 0.53 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 1bqt n SER 33 Cb 0.06 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.09 1bqt n SER 33 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1bqt n SER 34 N 1.37 -6.65 -3.26 -3.46 7.64 -1.02 -4.93 113.62 103.31 1bqt n SER 34 Ca 0.00 0.49 -0.05 0.00 1.01 0.00 0.00 58.87 60.32 1bqt n SER 34 Cb 0.43 -1.54 -0.04 0.00 -1.01 0.00 0.00 64.21 62.05 1bqt n SER 34 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1bqt s SER 35 N -0.82 -0.24 0.00 6.43 1.04 -1.25 -4.29 113.70 114.58 1bqt s SER 35 Ca 0.00 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1bqt s SER 35 Cb 0.00 1.39 0.00 0.00 0.10 0.00 0.00 66.02 67.51 1bqt s SER 35 CO 0.00 -0.33 0.00 -1.14 0.98 0.00 0.00 173.24 172.75 1bqt n ARG 36 N 5.30 0.00 -0.90 4.02 3.00 -1.26 -4.60 116.66 122.22 1bqt n ARG 36 Ca 0.03 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 1bqt n ARG 36 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.97 1bqt n ARG 36 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1bqt n ARG 37 N -0.19 -0.03 0.00 -0.14 0.63 -1.26 -4.59 116.66 111.07 1bqt n ARG 37 Ca 0.00 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1bqt n ARG 37 Cb 0.00 -2.96 0.00 0.00 0.45 0.00 0.00 32.46 29.95 1bqt n ARG 37 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bqt n ALA 38 N 1.00 0.00 -2.44 5.13 0.00 -1.26 -4.63 120.51 118.31 1bqt n ALA 38 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1bqt n ALA 38 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 1bqt n ALA 38 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bqt s PRO 39 N 0.00 4.35 -0.21 0.00 0.04 -1.26 -1.80 135.00 136.12 1bqt s PRO 39 Ca 0.00 1.70 -0.00 0.00 0.04 0.00 0.00 61.00 62.74 1bqt s PRO 39 Cb 0.00 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.99 1bqt s PRO 39 CO 0.00 -0.45 0.05 0.94 0.04 0.00 0.00 177.00 177.57 1bqt n GLN 40 N 5.18 -0.45 0.00 4.56 7.27 -1.26 -4.86 117.38 127.82 1bqt n GLN 40 Ca 0.11 0.12 0.00 0.00 0.07 0.00 0.00 57.00 57.30 1bqt n GLN 40 Cb 0.46 -3.51 0.00 0.00 2.41 0.00 0.00 30.24 29.60 1bqt n GLN 40 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1bqt n THR 41 N -3.64 0.00 -2.73 1.69 -1.04 -1.15 -5.05 114.28 102.36 1bqt n THR 41 Ca -0.02 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.73 1bqt n THR 41 Cb 0.52 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.05 1bqt n THR 41 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bqt n GLY 42 N -0.62 0.13 0.36 3.41 0.00 -0.75 -4.33 105.19 103.39 1bqt n GLY 42 Ca 0.00 0.77 0.13 0.00 0.00 0.00 0.00 46.02 46.92 1bqt n GLY 42 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bqt h ILE 43 N 1.54 0.87 -0.87 -0.61 -0.00 -1.95 0.20 117.51 116.69 1bqt h ILE 43 Ca -0.38 -0.12 -0.02 0.00 -0.00 0.00 0.00 64.86 64.34 1bqt h ILE 43 Cb 0.97 0.50 -0.04 0.00 -0.00 0.00 0.00 36.82 38.25 1bqt h ILE 43 CO 0.15 0.06 0.45 0.58 -0.00 0.00 0.00 178.15 179.39 1bqt h VAL 44 N 0.34 1.26 -2.16 2.19 2.07 -1.91 -2.16 116.25 115.88 1bqt h VAL 44 Ca 0.27 -0.68 -0.58 0.00 0.82 0.00 0.00 66.70 66.53 1bqt h VAL 44 Cb 0.62 0.12 -0.41 0.00 -1.52 0.00 0.00 31.29 30.09 1bqt h VAL 44 CO -0.07 0.30 -0.73 0.47 0.02 0.00 0.00 177.57 177.56 1bqt n ASP 45 N -4.33 3.07 0.00 0.57 9.92 0.55 -4.46 116.55 121.87 1bqt n ASP 45 Ca 0.09 -3.33 0.00 0.00 -0.53 0.00 0.00 54.79 51.02 1bqt n ASP 45 Cb 0.12 -0.64 0.00 0.00 -0.64 0.00 0.00 41.12 39.96 1bqt n ASP 45 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1bqt n GLU 46 N 0.72 0.00 0.05 -1.24 2.13 -0.35 -4.40 120.64 117.55 1bqt n GLU 46 Ca 0.28 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.08 1bqt n GLU 46 Cb 0.44 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.08 1bqt n GLU 46 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bqt h PHE 49 N 0.00 -1.05 0.00 0.00 0.04 -1.88 -3.43 116.94 110.62 1bqt h PHE 49 Ca -0.00 0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.65 1bqt h PHE 49 Cb 0.81 0.42 -0.11 0.00 2.20 0.00 0.00 35.95 39.28 1bqt h PHE 49 CO 0.00 -0.47 -0.08 0.54 -0.60 0.00 0.00 178.31 177.70 1bqt n ARG 50 N -4.63 0.68 0.00 1.51 1.74 -1.24 -5.10 116.66 109.62 1bqt n ARG 50 Ca -0.08 -1.11 0.00 0.00 -0.77 0.00 0.00 57.85 55.89 1bqt n ARG 50 Cb 0.32 0.03 0.00 0.00 -1.02 0.00 0.00 32.46 31.79 1bqt n ARG 50 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1bqt n SER 51 N -0.62 0.00 -3.56 0.55 3.41 -0.58 -4.98 113.62 107.84 1bqt n SER 51 Ca -0.15 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.33 1bqt n SER 51 Cb 0.74 0.68 0.01 0.00 -0.26 0.00 0.00 64.21 65.37 1bqt n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bqt n ASP 53 N -2.03 0.94 -0.80 0.00 9.92 -1.26 -4.69 116.55 118.64 1bqt n ASP 53 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.30 1bqt n ASP 53 Cb 0.34 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 40.87 1bqt n ASP 53 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1bqt n LEU 54 N 0.00 0.91 -0.02 0.64 4.32 -1.26 -4.58 117.00 117.02 1bqt n LEU 54 Ca 0.00 -1.90 -0.02 0.00 -0.02 0.00 0.00 56.01 54.07 1bqt n LEU 54 Cb 0.00 -0.11 -0.02 0.00 -1.62 0.00 0.00 43.42 41.67 1bqt n LEU 54 CO 0.00 0.51 -0.61 -1.14 -1.22 0.00 0.00 177.39 174.93 1bqt n ARG 55 N -0.12 2.94 0.23 3.23 0.00 -1.26 -4.57 116.66 117.11 1bqt n ARG 55 Ca 0.06 0.00 0.15 0.00 -0.00 0.00 0.00 57.85 58.07 1bqt n ARG 55 Cb 0.85 -1.08 0.57 0.00 0.00 0.00 0.00 32.46 32.79 1bqt n ARG 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bqt h ARG 56 N 0.00 0.00 0.00 -0.14 3.08 -1.97 -2.17 114.38 113.18 1bqt h ARG 56 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1bqt h ARG 56 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1bqt h ARG 56 CO 0.00 0.00 0.00 1.37 -1.07 0.00 0.00 179.97 180.27 1bqt h LEU 57 N 0.00 0.00 0.00 3.04 8.10 -1.88 -1.92 115.31 122.65 1bqt h LEU 57 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1bqt h LEU 57 Cb 0.56 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.78 1bqt h LEU 57 CO 0.00 0.00 0.00 -1.84 -4.11 0.00 0.00 178.44 172.49 1bqt n GLU 58 N -2.63 0.91 -0.06 0.17 0.28 -0.81 -2.80 120.64 115.69 1bqt n GLU 58 Ca 0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.98 1bqt n GLU 58 Cb 0.29 -1.39 -0.13 0.00 1.43 0.00 0.00 31.44 31.64 1bqt n GLU 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bqt n MET 59 N -0.89 1.21 0.01 3.44 0.00 -0.72 -4.49 117.12 115.68 1bqt n MET 59 Ca 0.17 -0.04 -0.16 0.00 0.00 0.00 0.00 57.70 57.67 1bqt n MET 59 Cb 0.08 -1.40 -0.05 0.00 0.00 0.00 0.00 33.22 31.85 1bqt n MET 59 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 175.97 177.85 1bqt h TYR 60 N 0.00 0.91 -0.38 3.17 0.05 -1.60 -3.43 116.97 115.69 1bqt h TYR 60 Ca -0.32 -0.42 -0.43 0.00 0.05 0.00 0.00 58.73 57.61 1bqt h TYR 60 Cb 1.66 -0.13 -0.07 0.00 1.01 0.00 0.00 36.73 39.20 1bqt h TYR 60 CO 0.00 1.24 1.65 0.00 -1.05 0.00 0.00 178.16 180.00 1bqt n ALA 62 N 11.45 -0.01 -2.41 0.00 0.00 -0.37 -3.72 120.51 125.44 1bqt n ALA 62 Ca 0.59 0.02 -0.43 0.00 0.00 0.00 0.00 53.44 53.61 1bqt n ALA 62 Cb 0.20 0.19 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 1bqt n ALA 62 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bqt s PRO 63 N -3.10 4.26 0.12 0.00 0.04 -1.26 -5.01 135.00 130.05 1bqt s PRO 63 Ca -0.00 1.69 -0.16 0.00 0.04 0.00 0.00 61.00 62.57 1bqt s PRO 63 Cb 0.00 -3.72 -0.07 0.00 0.04 0.00 0.00 34.50 30.75 1bqt s PRO 63 CO 0.01 -0.65 0.55 -1.17 0.04 0.00 0.00 177.00 175.78 1bqt s LEU 64 N 3.21 4.39 -0.28 -3.56 0.20 -1.24 -5.02 118.68 116.38 1bqt s LEU 64 Ca 0.56 1.13 -0.28 0.00 0.69 0.00 0.00 54.13 56.22 1bqt s LEU 64 Cb -0.23 -3.16 0.18 0.00 -0.43 0.00 0.00 46.19 42.56 1bqt s LEU 64 CO 0.17 0.15 1.34 -0.75 -0.29 0.00 0.00 176.35 176.97 1bqt s LYS 65 N -1.71 0.12 -1.13 1.98 2.20 -1.26 -5.08 119.74 114.87 1bqt s LYS 65 Ca 0.35 0.06 -0.22 0.00 -0.36 0.00 0.00 55.97 55.81 1bqt s LYS 65 Cb -0.16 0.06 -0.00 0.00 -1.51 0.00 0.00 37.83 36.21 1bqt s LYS 65 CO 0.19 -0.03 1.77 -1.25 -0.36 0.00 0.00 175.35 175.67 1bqt s PRO 66 N -0.69 3.19 0.59 4.03 0.04 -1.26 -4.76 135.00 136.13 1bqt s PRO 66 Ca 0.07 -1.23 0.00 0.00 0.04 0.00 0.00 61.00 59.88 1bqt s PRO 66 Cb -0.02 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.20 1bqt s PRO 66 CO -0.09 -2.97 0.00 0.00 0.04 0.00 0.00 177.00 173.98 1bqt n ALA 67 N 11.34 -2.26 -3.14 8.56 0.00 -1.26 -4.78 120.51 128.97 1bqt n ALA 67 Ca 0.43 0.56 -0.37 0.00 0.00 0.00 0.00 53.44 54.05 1bqt n ALA 67 Cb 0.47 -1.48 -0.13 0.00 0.00 0.00 0.00 19.45 18.32 1bqt n ALA 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1bqt s LYS 68 N -5.21 3.23 -1.49 0.00 -2.85 -1.26 -4.50 119.74 107.67 1bqt s LYS 68 Ca 0.00 -0.76 -0.12 0.00 -1.00 0.00 0.00 55.97 54.09 1bqt s LYS 68 Cb 0.00 -3.37 0.07 0.00 -2.06 0.00 0.00 37.83 32.47 1bqt s LYS 68 CO 0.00 -0.38 0.99 0.43 0.10 0.00 0.00 175.35 176.48 1bqt n SER 69 N 4.89 -4.65 0.00 0.03 7.64 -1.26 -5.27 113.62 114.99 1bqt n SER 69 Ca -0.15 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 58.98 1bqt n SER 69 Cb 0.49 -4.06 0.00 0.00 -1.01 0.00 0.00 64.21 59.62 1bqt n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03