#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqt s PRO 2 N 0.00 -0.01 0.00 1.61 0.04 -1.26 -4.17 135.00 131.21 1bqt s PRO 2 Ca 0.00 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 60.93 1bqt s PRO 2 Cb 0.00 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1bqt s PRO 2 CO 0.00 -2.90 0.00 0.39 0.04 0.00 0.00 177.00 174.53 1bqt n GLU 3 N -4.17 0.00 -2.02 4.56 1.02 -1.25 -4.72 120.64 114.07 1bqt n GLU 3 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1bqt n GLU 3 Cb 0.59 -2.19 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 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 -2.38 -9.91 -0.14 2.62 -2.24 -1.26 -4.45 114.28 96.53 1bqt n THR 4 Ca 0.00 3.01 0.07 0.00 -2.27 0.00 0.00 64.05 64.87 1bqt n THR 4 Cb 0.00 -4.48 0.19 0.00 -2.10 0.00 0.00 70.33 63.94 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 1.36 3.11 -0.92 3.22 0.00 -1.26 -4.42 117.00 118.10 1bqt n LEU 5 Ca 0.00 -1.89 -0.06 0.00 0.00 0.00 0.00 56.01 54.06 1bqt n LEU 5 Cb 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 43.42 43.09 1bqt n LEU 5 CO 0.00 0.76 0.30 0.00 0.00 0.00 0.00 177.39 178.45 1bqt n GLY 7 N 0.00 0.13 0.37 0.00 0.00 -1.26 -4.22 105.19 100.21 1bqt n GLY 7 Ca -0.24 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.00 -0.73 0.00 4.61 0.00 -1.26 -4.95 120.51 115.18 1bqt n ALA 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bqt n ALA 8 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1bqt n ALA 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bqt n GLU 9 N 0.58 0.00 -0.09 0.00 1.02 -1.26 -4.89 120.64 116.00 1bqt n GLU 9 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1bqt n GLU 9 Cb 0.00 -0.14 0.15 0.00 -0.02 0.00 0.00 31.44 31.43 1bqt n GLU 9 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1bqt h LEU 10 N 0.00 0.74 -1.80 -4.62 5.85 -1.82 -2.44 115.31 111.22 1bqt h LEU 10 Ca 0.00 -0.20 0.52 0.00 0.84 0.00 0.00 57.88 59.04 1bqt h LEU 10 Cb 0.00 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 40.76 1bqt h LEU 10 CO 0.00 0.84 1.39 0.58 -0.34 0.00 0.00 178.44 180.92 1bqt h VAL 11 N 0.70 0.00 -0.45 1.05 2.07 -1.90 1.94 116.25 119.66 1bqt h VAL 11 Ca 0.13 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.35 1bqt h VAL 11 Cb 0.52 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.16 1bqt h VAL 11 CO 0.03 0.00 0.38 -0.67 0.02 0.00 0.00 177.57 177.32 1bqt n ASP 12 N -3.79 6.37 0.00 0.57 2.03 -0.92 -3.09 116.55 117.73 1bqt n ASP 12 Ca 0.40 -3.01 0.00 0.00 0.52 0.00 0.00 54.79 52.70 1bqt n ASP 12 Cb 1.93 -1.07 0.00 0.00 -0.72 0.00 0.00 41.12 41.26 1bqt n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bqt n ALA 13 N 0.48 2.63 0.12 -1.67 0.00 0.66 -4.73 120.51 117.99 1bqt n ALA 13 Ca 0.28 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.81 1bqt n ALA 13 Cb 0.57 0.33 0.02 0.00 0.00 0.00 0.00 19.45 20.37 1bqt n ALA 13 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1bqt h LEU 14 N 0.00 0.00 0.00 0.00 8.10 -1.68 -0.95 115.31 120.78 1bqt h LEU 14 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1bqt h LEU 14 Cb 0.67 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.89 1bqt h LEU 14 CO 0.00 0.13 0.00 0.00 -4.11 0.00 0.00 178.44 174.46 1bqt n GLN 15 N -2.83 0.37 0.00 0.17 6.02 -1.18 -1.25 117.38 118.68 1bqt n GLN 15 Ca -0.01 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 1bqt n GLN 15 Cb 0.61 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.37 1bqt n GLN 15 CO 0.00 0.00 0.00 1.97 -1.01 0.00 0.00 177.06 178.02 1bqt n PHE 16 N -1.25 0.00 0.10 1.08 1.16 -1.22 -3.77 117.46 113.56 1bqt n PHE 16 Ca 0.12 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.68 1bqt n PHE 16 Cb 0.17 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.01 1bqt n PHE 16 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 1bqt h VAL 17 N 0.00 1.27 0.00 1.97 2.07 -1.18 -3.30 116.25 117.08 1bqt h VAL 17 Ca 0.00 -2.77 -0.02 0.00 0.82 0.00 0.00 66.70 64.73 1bqt h VAL 17 Cb 0.61 2.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.94 1bqt h VAL 17 CO 0.00 0.72 -0.42 0.00 0.02 0.00 0.00 177.57 177.89 1bqt n GLY 19 N -0.42 -0.24 2.28 0.00 0.00 -1.16 -0.94 105.19 104.71 1bqt n GLY 19 Ca 0.07 0.30 -0.04 0.00 0.00 0.00 0.00 46.02 46.34 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 4.01 -5.49 0.00 1.61 9.92 -1.26 -5.00 116.55 120.35 1bqt n ASP 20 Ca 0.33 0.36 0.00 0.00 -0.53 0.00 0.00 54.79 54.95 1bqt n ASP 20 Cb 0.04 -3.57 0.00 0.00 -0.64 0.00 0.00 41.12 36.95 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 -0.31 0.00 0.00 -1.24 3.00 -0.11 -5.12 116.66 112.87 1bqt n ARG 21 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 1bqt n ARG 21 Cb 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 32.46 32.60 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 -0.09 1.91 0.16 5.14 0.00 -1.25 -3.24 105.19 107.83 1bqt n GLY 22 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1bqt n GLY 22 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bqt n PHE 23 N 0.00 -3.38 -1.27 1.61 3.72 -1.26 -0.05 117.46 116.84 1bqt n PHE 23 Ca 0.00 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1bqt n PHE 23 Cb 0.00 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.49 1bqt n PHE 23 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1bqt n TYR 24 N -2.42 0.00 -2.85 1.38 9.36 -1.26 -4.35 117.16 117.03 1bqt n TYR 24 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 1bqt n TYR 24 Cb 0.03 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.74 1bqt n TYR 24 CO 0.00 0.00 0.00 1.97 0.22 0.00 0.00 176.86 179.05 1bqt n PHE 25 N 0.00 0.00 0.00 2.98 -1.74 -1.26 -1.98 117.46 115.46 1bqt n PHE 25 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1bqt n PHE 25 Cb 0.00 -0.89 0.00 0.00 1.52 0.00 0.00 39.48 40.11 1bqt n PHE 25 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1bqt n ASN 26 N 1.66 0.00 -0.10 5.98 4.05 -1.26 -4.85 115.26 120.74 1bqt n ASN 26 Ca 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 54.58 54.92 1bqt n ASN 26 Cb 0.30 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 41.25 1bqt n ASN 26 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 177.26 174.71 1bqt h LYS 27 N 0.24 -0.36 -6.98 1.20 1.63 -1.75 -3.40 116.57 107.16 1bqt h LYS 27 Ca 0.00 0.02 -0.48 0.00 -0.85 0.00 0.00 60.65 59.34 1bqt h LYS 27 Cb 0.00 0.08 0.02 0.00 -0.60 0.00 0.00 32.23 31.73 1bqt h LYS 27 CO 0.00 -0.24 0.41 -1.25 -3.45 0.00 0.00 179.45 174.92 1bqt s PRO 28 N -5.83 4.11 0.00 1.90 0.04 -1.26 -5.03 135.00 128.93 1bqt s PRO 28 Ca -0.15 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1bqt s PRO 28 Cb 0.11 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1bqt s PRO 28 CO 0.65 -0.19 0.00 -2.37 0.04 0.00 0.00 177.00 175.13 1bqt n THR 29 N -0.18 0.00 0.00 1.26 5.66 -1.26 -5.01 114.28 114.74 1bqt n THR 29 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1bqt n THR 29 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1bqt n THR 29 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bqt n GLY 30 N -0.20 0.56 2.12 1.09 0.00 -1.26 -5.09 105.19 102.41 1bqt n GLY 30 Ca 0.00 0.60 -0.02 0.00 0.00 0.00 0.00 46.02 46.60 1bqt n GLY 30 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bqt n TYR 31 N 0.00 -1.83 0.00 1.61 4.01 -1.26 -5.02 117.16 114.67 1bqt n TYR 31 Ca 0.00 0.78 0.00 0.00 -0.16 0.00 0.00 57.90 58.52 1bqt n TYR 31 Cb 0.00 -2.75 0.00 0.00 -0.31 0.00 0.00 39.34 36.28 1bqt n TYR 31 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bqt n GLY 32 N -0.02 2.40 3.92 2.72 0.00 -1.26 -5.14 105.19 107.81 1bqt n GLY 32 Ca 0.03 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 1bqt n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bqt s SER 33 N 0.00 5.83 0.00 1.61 1.04 -1.26 -5.04 113.70 115.88 1bqt s SER 33 Ca 0.00 0.70 0.00 0.00 0.48 0.00 0.00 55.95 57.13 1bqt s SER 33 Cb 0.00 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.28 1bqt s SER 33 CO 0.00 -0.86 0.00 -0.24 0.98 0.00 0.00 173.24 173.12 1bqt n SER 34 N -2.40 0.00 0.00 7.02 2.88 -1.26 -5.18 113.62 114.68 1bqt n SER 34 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1bqt n SER 34 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1bqt n SER 34 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1bqt n SER 35 N 0.00 0.00 -3.72 -3.46 2.88 -1.26 -4.92 113.62 103.14 1bqt n SER 35 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1bqt n SER 35 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1bqt n SER 35 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1bqt s ARG 36 N -0.43 1.04 0.00 -1.46 1.81 -1.26 -4.88 118.95 113.77 1bqt s ARG 36 Ca 0.00 -0.81 0.00 0.00 -1.72 0.00 0.00 55.73 53.20 1bqt s ARG 36 Cb 0.00 0.43 0.00 0.00 -0.45 0.00 0.00 34.95 34.93 1bqt s ARG 36 CO 0.00 -0.39 0.00 2.89 -0.68 0.00 0.00 175.30 177.12 1bqt n ARG 37 N -0.19 2.17 0.00 3.54 1.85 -1.26 -4.10 116.66 118.67 1bqt n ARG 37 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.70 1bqt n ARG 37 Cb 0.63 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.04 1bqt n ARG 37 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1bqt n ALA 38 N -3.00 0.00 -2.37 2.89 0.00 -1.26 -4.79 120.51 111.98 1bqt n ALA 38 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1bqt n ALA 38 Cb 0.00 0.00 -0.02 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 -0.93 3.77 -0.43 0.00 0.04 -1.26 -3.51 135.00 132.68 1bqt s PRO 39 Ca 0.00 1.15 0.09 0.00 0.04 0.00 0.00 61.00 62.28 1bqt s PRO 39 Cb 0.00 -3.95 0.31 0.00 0.04 0.00 0.00 34.50 30.90 1bqt s PRO 39 CO 0.00 -1.32 0.71 1.04 0.04 0.00 0.00 177.00 177.47 1bqt n GLN 40 N 7.65 1.40 0.00 4.56 6.02 -1.26 -4.87 117.38 130.87 1bqt n GLN 40 Ca 0.16 -3.69 0.00 0.00 -0.01 0.00 0.00 57.00 53.46 1bqt n GLN 40 Cb 0.47 -1.70 0.00 0.00 1.02 0.00 0.00 30.24 30.03 1bqt n GLN 40 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1bqt n THR 41 N 0.58 0.00 0.00 5.09 -1.04 -1.26 -3.90 114.28 113.75 1bqt n THR 41 Ca 0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1bqt n THR 41 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 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 -1.44 2.60 0.07 3.41 0.00 -1.26 -4.86 105.19 103.71 1bqt n GLY 42 Ca 0.00 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.49 1bqt n GLY 42 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bqt n ILE 43 N 0.00 1.52 -0.05 -0.61 -0.00 -1.24 0.64 119.36 119.63 1bqt n ILE 43 Ca 0.00 0.56 -0.07 0.00 -0.00 0.00 0.00 62.75 63.24 1bqt n ILE 43 Cb 0.00 -1.54 -0.02 0.00 -0.00 0.00 0.00 39.64 38.08 1bqt n ILE 43 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 1bqt n VAL 44 N -1.82 1.37 0.33 1.39 0.31 -1.25 -3.77 118.33 114.89 1bqt n VAL 44 Ca -0.00 0.19 -0.13 0.00 -0.01 0.00 0.00 64.34 64.38 1bqt n VAL 44 Cb 0.03 -2.06 -0.06 0.00 -0.91 0.00 0.00 33.84 30.84 1bqt n VAL 44 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1bqt h ASP 45 N -0.66 -0.73 -0.01 4.52 1.82 -1.56 -2.50 116.42 117.30 1bqt h ASP 45 Ca -0.04 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1bqt h ASP 45 Cb 0.73 0.19 -0.00 0.00 0.68 0.00 0.00 39.33 40.93 1bqt h ASP 45 CO -0.03 -0.45 0.03 -0.33 -1.61 0.00 0.00 179.24 176.85 1bqt h GLU 46 N -0.99 0.00 0.17 0.28 4.39 -0.04 -1.25 114.58 117.15 1bqt h GLU 46 Ca -0.09 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1bqt h GLU 46 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1bqt h GLU 46 CO 0.14 0.00 -0.08 0.00 -1.16 0.00 0.00 179.01 177.91 1bqt n PHE 49 N -1.75 0.00 -1.74 0.00 -0.00 -0.50 -4.59 117.46 108.89 1bqt n PHE 49 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1bqt n PHE 49 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.54 1bqt n PHE 49 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1bqt n ARG 50 N -0.61 0.00 0.00 -4.13 0.63 -0.10 -4.95 116.66 107.50 1bqt n ARG 50 Ca 0.05 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1bqt n ARG 50 Cb 0.02 -3.20 0.00 0.00 0.45 0.00 0.00 32.46 29.73 1bqt n ARG 50 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1bqt n SER 51 N 1.81 0.00 0.13 6.15 2.88 -0.33 -4.76 113.62 119.50 1bqt n SER 51 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 1bqt n SER 51 Cb 0.42 0.00 0.50 0.00 -0.75 0.00 0.00 64.21 64.38 1bqt n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bqt n ASP 53 N -2.17 0.00 -1.15 0.00 8.00 -1.26 -3.72 116.55 116.25 1bqt n ASP 53 Ca 0.00 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.47 1bqt n ASP 53 Cb 0.11 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.21 1bqt n ASP 53 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1bqt n LEU 54 N 0.00 -0.59 -0.63 0.64 -0.00 -1.26 -2.47 117.00 112.69 1bqt n LEU 54 Ca 0.00 -1.36 -0.01 0.00 -0.00 0.00 0.00 56.01 54.64 1bqt n LEU 54 Cb 0.00 0.15 -0.01 0.00 -0.00 0.00 0.00 43.42 43.56 1bqt n LEU 54 CO 0.00 1.12 0.26 -1.14 -0.00 0.00 0.00 177.39 177.63 1bqt n ARG 55 N -0.23 0.00 0.00 1.96 0.00 -1.26 -4.90 116.66 112.22 1bqt n ARG 55 Ca -0.13 -0.39 0.00 0.00 -0.00 0.00 0.00 57.85 57.33 1bqt n ARG 55 Cb 0.54 0.03 0.00 0.00 0.00 0.00 0.00 32.46 33.04 1bqt n ARG 55 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1bqt n ARG 56 N 0.02 3.72 0.08 -0.14 0.00 -1.26 -4.59 116.66 114.49 1bqt n ARG 56 Ca -0.05 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 57.90 1bqt n ARG 56 Cb 0.59 -0.98 0.43 0.00 0.00 0.00 0.00 32.46 32.50 1bqt n ARG 56 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1bqt n LEU 57 N -1.92 0.41 0.00 6.15 4.77 -1.26 -2.22 117.00 122.93 1bqt n LEU 57 Ca 0.00 0.59 0.04 0.00 -0.03 0.00 0.00 56.01 56.61 1bqt n LEU 57 Cb 0.46 -0.52 0.19 0.00 -2.33 0.00 0.00 43.42 41.22 1bqt n LEU 57 CO 0.00 -0.39 0.63 -0.62 -1.33 0.00 0.00 177.39 175.68 1bqt n GLU 58 N -1.94 0.03 -0.00 3.23 1.02 -1.26 -1.44 120.64 120.27 1bqt n GLU 58 Ca 0.03 0.32 0.02 0.00 -0.02 0.00 0.00 57.16 57.51 1bqt n GLU 58 Cb 0.23 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.13 1bqt n GLU 58 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1bqt n MET 59 N -1.46 4.49 0.12 3.49 2.81 -0.94 -4.57 117.12 121.06 1bqt n MET 59 Ca 0.03 -0.01 -0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1bqt n MET 59 Cb 0.10 -0.76 0.04 0.00 -0.71 0.00 0.00 33.22 31.89 1bqt n MET 59 CO 0.00 0.00 0.00 1.88 1.51 0.00 0.00 175.97 179.36 1bqt h TYR 60 N 0.00 0.00 0.00 2.03 -1.99 -1.29 -3.45 116.97 112.27 1bqt h TYR 60 Ca 0.00 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 60.39 1bqt h TYR 60 Cb 0.10 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 38.76 1bqt h TYR 60 CO 0.00 0.64 1.29 0.00 -0.00 0.00 0.00 178.16 180.09 1bqt s ALA 62 N 5.53 3.18 0.04 0.00 0.00 0.93 -5.00 121.76 126.44 1bqt s ALA 62 Ca 0.97 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 53.26 1bqt s ALA 62 Cb -0.86 -3.23 -0.05 0.00 0.00 0.00 0.00 23.12 18.98 1bqt s ALA 62 CO 0.36 -0.01 1.17 -1.25 0.00 0.00 0.00 175.76 176.03 1bqt s PRO 63 N -2.18 4.43 0.37 0.00 0.04 -1.26 -3.80 135.00 132.61 1bqt s PRO 63 Ca 0.53 1.71 -0.23 0.00 0.04 0.00 0.00 61.00 63.05 1bqt s PRO 63 Cb -0.21 -3.39 -0.14 0.00 0.04 0.00 0.00 34.50 30.79 1bqt s PRO 63 CO 0.27 -0.26 0.45 -0.11 0.04 0.00 0.00 177.00 177.39 1bqt n LEU 64 N 4.13 -0.88 -4.16 -3.56 7.94 -1.20 -4.80 117.00 114.46 1bqt n LEU 64 Ca 0.09 0.94 -0.36 0.00 -1.11 0.00 0.00 56.01 55.57 1bqt n LEU 64 Cb 0.47 -1.03 0.05 0.00 0.53 0.00 0.00 43.42 43.43 1bqt n LEU 64 CO 0.55 -3.16 -0.86 2.29 -1.11 0.00 0.00 177.39 175.10 1bqt n LYS 65 N 0.88 -0.00 -2.30 1.96 2.85 -1.26 -4.74 118.16 115.54 1bqt n LYS 65 Ca 0.12 0.01 -0.38 0.00 -1.05 0.00 0.00 58.31 57.01 1bqt n LYS 65 Cb 0.37 -1.21 -0.03 0.00 -0.65 0.00 0.00 35.03 33.51 1bqt n LYS 65 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1bqt s PRO 66 N -2.08 2.96 -0.41 -1.58 0.04 -1.26 -4.87 135.00 127.80 1bqt s PRO 66 Ca 0.49 -0.07 0.03 0.00 0.04 0.00 0.00 61.00 61.49 1bqt s PRO 66 Cb -0.27 -4.54 0.16 0.00 0.04 0.00 0.00 34.50 29.89 1bqt s PRO 66 CO 0.74 -2.53 0.32 0.00 0.04 0.00 0.00 177.00 175.57 1bqt s ALA 67 N 7.41 1.37 0.05 8.56 0.00 -1.26 -5.11 121.76 132.79 1bqt s ALA 67 Ca 0.53 -2.37 -0.03 0.00 0.00 0.00 0.00 51.96 50.08 1bqt s ALA 67 Cb -0.08 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 1bqt s ALA 67 CO 0.11 -2.00 0.04 -1.59 0.00 0.00 0.00 175.76 172.32 1bqt s LYS 68 N 0.22 0.63 -0.39 0.00 0.00 -1.26 -4.97 119.74 113.96 1bqt s LYS 68 Ca 0.30 -1.04 -0.31 0.00 0.00 0.00 0.00 55.97 54.92 1bqt s LYS 68 Cb -0.02 0.23 0.05 0.00 0.00 0.00 0.00 37.83 38.09 1bqt s LYS 68 CO -0.16 -0.14 0.56 -1.13 0.00 0.00 0.00 175.35 174.49 1bqt n SER 69 N 0.31 -5.96 -0.68 0.03 3.41 -1.26 -5.31 113.62 104.15 1bqt n SER 69 Ca -0.16 0.02 0.13 0.00 -0.26 0.00 0.00 58.87 58.60 1bqt n SER 69 Cb 0.60 -2.14 0.34 0.00 -0.26 0.00 0.00 64.21 62.76 1bqt n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88