#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgj s VAL 2 N 0.00 2.88 -0.08 9.51 1.01 -1.26 -0.19 120.40 132.27 1rgj s VAL 2 Ca 0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 1rgj s VAL 2 Cb 0.00 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.28 1rgj s VAL 2 CO 0.00 0.58 0.24 0.00 0.00 0.00 0.00 175.10 175.92 1rgj s HIS 4 N -0.16 2.89 -0.08 0.00 3.76 -1.26 -3.06 115.29 117.38 1rgj s HIS 4 Ca -0.03 0.34 0.03 0.00 -0.15 0.00 0.00 55.06 55.25 1rgj s HIS 4 Cb -0.03 -4.15 0.01 0.00 1.11 0.00 0.00 32.58 29.52 1rgj s HIS 4 CO 0.01 -4.34 -0.17 0.99 -0.85 0.00 0.00 174.74 170.38 1rgj s THR 5 N 1.14 1.51 -2.30 1.30 2.01 0.16 0.31 115.64 119.78 1rgj s THR 5 Ca 0.75 -0.69 0.21 0.00 0.31 0.00 0.00 61.69 62.27 1rgj s THR 5 Cb -0.50 -1.34 0.45 0.00 0.01 0.00 0.00 72.50 71.12 1rgj s THR 5 CO 0.33 0.44 1.54 1.07 -0.69 0.00 0.00 174.62 177.30 1rgj n THR 6 N 3.79 0.22 -0.30 -0.82 5.66 -0.23 -3.73 114.28 118.86 1rgj n THR 6 Ca -0.21 -0.37 0.10 0.00 -3.05 0.00 0.00 64.05 60.52 1rgj n THR 6 Cb 0.52 0.43 0.22 0.00 -1.55 0.00 0.00 70.33 69.95 1rgj n THR 6 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rgj h ALA 7 N 4.09 0.97 -2.17 1.79 0.00 -1.86 -3.39 119.26 118.69 1rgj h ALA 7 Ca 0.00 0.29 -0.46 0.00 0.00 0.00 0.00 54.91 54.73 1rgj h ALA 7 Cb 0.52 0.50 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1rgj h ALA 7 CO 0.00 -0.48 0.37 0.95 0.00 0.00 0.00 179.25 180.09 1rgj s THR 8 N -6.07 4.46 0.15 0.00 -4.23 -1.26 -4.97 115.64 103.72 1rgj s THR 8 Ca -0.13 1.27 -0.30 0.00 -1.18 0.00 0.00 61.69 61.35 1rgj s THR 8 Cb 0.26 -3.67 -0.08 0.00 1.34 0.00 0.00 72.50 70.35 1rgj s THR 8 CO 0.77 -0.58 1.52 -1.28 -0.54 0.00 0.00 174.62 174.50 1rgj h SER 9 N 1.16 -2.01 0.00 3.99 0.87 -1.96 -3.41 113.55 112.19 1rgj h SER 9 Ca -0.47 0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1rgj h SER 9 Cb 1.19 0.88 0.00 0.00 -0.44 0.00 0.00 62.40 64.02 1rgj h SER 9 CO 0.61 -0.26 0.00 -0.81 -0.53 0.00 0.00 176.83 175.85 1rgj n PRO 10 N -5.17 1.14 -4.36 2.24 -0.04 -1.26 -5.07 135.00 122.48 1rgj n PRO 10 Ca 0.01 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 1rgj n PRO 10 Cb 0.27 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.61 1rgj n PRO 10 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1rgj s ILE 11 N 0.00 2.56 -0.09 0.52 1.09 -1.26 -4.74 121.20 119.28 1rgj s ILE 11 Ca 0.00 -1.73 -0.29 0.00 -1.10 0.00 0.00 60.65 57.53 1rgj s ILE 11 Cb 0.00 -2.18 0.09 0.00 -1.06 0.00 0.00 42.46 39.31 1rgj s ILE 11 CO 0.00 0.02 1.29 -1.20 -0.10 0.00 0.00 174.94 174.95 1rgj n SER 12 N 0.64 -0.96 -3.69 3.58 7.64 -1.24 -5.05 113.62 114.53 1rgj n SER 12 Ca -0.15 -1.03 -0.13 0.00 1.01 0.00 0.00 58.87 58.57 1rgj n SER 12 Cb 0.54 1.45 -0.13 0.00 -1.01 0.00 0.00 64.21 65.06 1rgj n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rgj s ALA 13 N -1.94 -0.54 0.46 -0.43 0.00 -1.26 0.39 121.76 118.44 1rgj s ALA 13 Ca 0.31 0.95 0.03 0.00 0.00 0.00 0.00 51.96 53.25 1rgj s ALA 13 Cb -0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.27 1rgj s ALA 13 CO -0.03 -0.42 0.03 0.54 0.00 0.00 0.00 175.76 175.89 1rgj s VAL 14 N 1.85 1.19 -0.39 0.00 0.11 -1.17 -4.83 120.40 117.16 1rgj s VAL 14 Ca -0.04 -2.00 -0.21 0.00 -2.93 0.00 0.00 61.98 56.81 1rgj s VAL 14 Cb -0.11 -2.38 0.01 0.00 -1.53 0.00 0.00 36.38 32.37 1rgj s VAL 14 CO -0.08 0.00 0.64 -0.89 -3.33 0.00 0.00 175.10 171.43 1rgj s THR 15 N -2.94 4.86 1.03 5.04 2.01 -1.26 -1.58 115.64 122.80 1rgj s THR 15 Ca 0.16 0.39 -0.19 0.00 0.31 0.00 0.00 61.69 62.36 1rgj s THR 15 Cb 0.04 -4.13 0.03 0.00 0.01 0.00 0.00 72.50 68.45 1rgj s THR 15 CO 0.09 -0.43 -0.37 0.00 -0.69 0.00 0.00 174.62 173.21 1rgj s PRO 17 N -2.97 -0.61 0.00 0.00 0.04 -1.26 -4.70 135.00 125.50 1rgj s PRO 17 Ca 0.43 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.10 1rgj s PRO 17 Cb -0.03 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1rgj s PRO 17 CO 0.55 -3.26 0.71 -0.35 0.04 0.00 0.00 177.00 174.70 1rgj n PRO 18 N -4.37 0.74 0.00 0.56 -0.04 -1.26 -1.92 135.00 128.72 1rgj n PRO 18 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1rgj n PRO 18 Cb 0.59 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 1rgj n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rgj n GLY 19 N 0.58 0.56 2.74 0.55 0.00 -1.26 -5.04 105.19 103.32 1rgj n GLY 19 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1rgj n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rgj s GLU 20 N -0.04 -0.05 0.00 1.61 2.02 -0.81 -4.22 118.70 117.22 1rgj s GLU 20 Ca 0.00 0.29 0.00 0.00 0.02 0.00 0.00 54.97 55.28 1rgj s GLU 20 Cb 0.00 -0.35 0.00 0.00 0.10 0.00 0.00 34.13 33.88 1rgj s GLU 20 CO 0.00 -0.24 0.41 -1.71 0.02 0.00 0.00 175.26 173.74 1rgj n ASN 21 N 4.69 0.79 -3.99 -0.19 5.15 -1.04 -3.26 115.26 117.41 1rgj n ASN 21 Ca -0.17 -1.08 -0.14 0.00 -0.60 0.00 0.00 54.58 52.59 1rgj n ASN 21 Cb 0.50 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.79 1rgj n ASN 21 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1rgj n LEU 22 N -0.04 0.00 -3.84 1.20 4.32 0.95 -3.92 117.00 115.68 1rgj n LEU 22 Ca 0.00 -1.74 -0.12 0.00 -0.02 0.00 0.00 56.01 54.12 1rgj n LEU 22 Cb 0.10 -0.25 -0.13 0.00 -1.62 0.00 0.00 43.42 41.52 1rgj n LEU 22 CO 0.00 -0.62 -0.27 0.00 -1.22 0.00 0.00 177.39 175.28 1rgj n TYR 24 N 3.11 0.52 -2.96 0.00 0.18 -1.16 0.28 117.16 117.13 1rgj n TYR 24 Ca -0.13 -2.00 0.01 0.00 1.88 0.00 0.00 57.90 57.65 1rgj n TYR 24 Cb 0.59 -0.13 0.00 0.00 -0.38 0.00 0.00 39.34 39.42 1rgj n TYR 24 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 1rgj s ARG 25 N -3.33 0.50 0.93 -3.48 3.00 -1.24 -3.35 118.95 111.98 1rgj s ARG 25 Ca 0.08 -0.20 -0.16 0.00 -1.00 0.00 0.00 55.73 54.46 1rgj s ARG 25 Cb 0.00 0.05 0.03 0.00 0.00 0.00 0.00 34.95 35.04 1rgj s ARG 25 CO 0.06 -0.71 -0.29 1.17 0.00 0.00 0.00 175.30 175.53 1rgj n LYS 26 N 3.93 -1.13 0.00 5.12 4.81 -1.25 -2.44 118.16 127.20 1rgj n LYS 26 Ca 0.09 -0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.20 1rgj n LYS 26 Cb 0.60 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 34.35 1rgj n LYS 26 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1rgj n MET 27 N -0.02 0.00 -3.64 1.64 2.81 0.55 -3.56 117.12 114.90 1rgj n MET 27 Ca 0.02 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.86 1rgj n MET 27 Cb 0.44 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.89 1rgj n MET 27 CO 0.00 0.00 0.00 1.67 1.51 0.00 0.00 175.97 179.15 1rgj s TRP 28 N -0.74 -0.17 -1.01 2.03 1.48 -1.25 -2.32 118.94 116.95 1rgj s TRP 28 Ca 0.00 0.38 -0.26 0.00 -1.06 0.00 0.00 56.10 55.16 1rgj s TRP 28 Cb 0.00 0.46 -0.19 0.00 -1.16 0.00 0.00 33.47 32.58 1rgj s TRP 28 CO 0.00 -0.11 2.17 0.00 -4.06 0.00 0.00 176.95 174.95 1rgj n ASP 30 N 18.80 -2.50 -1.98 0.00 5.75 -1.26 -4.43 116.55 130.92 1rgj n ASP 30 Ca 0.43 -0.12 -0.03 0.00 -0.01 0.00 0.00 54.79 55.06 1rgj n ASP 30 Cb 0.46 -0.60 -0.04 0.00 -1.03 0.00 0.00 41.12 39.91 1rgj n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1rgj n ALA 31 N -3.57 3.28 -1.81 2.12 0.00 -1.26 -1.86 120.51 117.40 1rgj n ALA 31 Ca 0.01 -0.46 -0.01 0.00 0.00 0.00 0.00 53.44 52.99 1rgj n ALA 31 Cb 0.27 -1.87 -0.00 0.00 0.00 0.00 0.00 19.45 17.85 1rgj n ALA 31 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rgj n PHE 32 N 2.22 -0.08 0.16 0.00 7.35 -1.26 -4.96 117.46 120.89 1rgj n PHE 32 Ca 0.11 -0.13 0.05 0.00 -0.76 0.00 0.00 57.45 56.72 1rgj n PHE 32 Cb 0.36 0.39 0.29 0.00 0.35 0.00 0.00 39.48 40.88 1rgj n PHE 32 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1rgj h SER 34 N 0.00 0.68 0.00 0.00 0.87 -1.93 -3.40 113.55 109.77 1rgj h SER 34 Ca 0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1rgj h SER 34 Cb 0.75 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1rgj h SER 34 CO 0.00 0.73 -0.99 -0.24 -0.53 0.00 0.00 176.83 175.81 1rgj n SER 35 N -4.51 1.56 0.00 6.23 2.88 0.23 -5.00 113.62 115.00 1rgj n SER 35 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1rgj n SER 35 Cb 0.21 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1rgj n SER 35 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1rgj n ARG 36 N -2.79 0.00 -1.34 -1.46 1.74 0.45 -5.09 116.66 108.17 1rgj n ARG 36 Ca 0.00 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.23 1rgj n ARG 36 Cb 0.49 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.85 1rgj n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rgj n GLY 37 N 3.23 -2.83 2.81 -0.13 0.00 -0.91 -4.64 105.19 102.73 1rgj n GLY 37 Ca 0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 46.02 45.08 1rgj n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rgj n LYS 38 N -4.18 -2.79 -3.02 1.61 5.02 0.73 -4.51 118.16 111.02 1rgj n LYS 38 Ca -0.08 2.36 -0.43 0.00 -2.02 0.00 0.00 58.31 58.15 1rgj n LYS 38 Cb 0.61 -5.49 -0.06 0.00 -0.02 0.00 0.00 35.03 30.08 1rgj n LYS 38 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1rgj s VAL 39 N -2.22 4.71 -0.41 -0.18 1.01 0.10 -4.58 120.40 118.84 1rgj s VAL 39 Ca 0.16 0.22 -0.23 0.00 0.00 0.00 0.00 61.98 62.13 1rgj s VAL 39 Cb -0.04 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.06 1rgj s VAL 39 CO 0.77 -0.72 0.77 -0.69 0.00 0.00 0.00 175.10 175.24 1rgj s VAL 40 N 3.12 4.70 -0.79 2.92 1.01 -1.25 -1.24 120.40 128.87 1rgj s VAL 40 Ca 0.26 0.64 -0.03 0.00 0.00 0.00 0.00 61.98 62.85 1rgj s VAL 40 Cb -0.13 -4.26 0.21 0.00 0.00 0.00 0.00 36.38 32.20 1rgj s VAL 40 CO 0.20 -0.57 2.32 1.21 0.00 0.00 0.00 175.10 178.26 1rgj n GLU 41 N 6.54 3.21 -0.48 2.72 2.13 -1.23 -4.82 120.64 128.71 1rgj n GLU 41 Ca 0.02 -3.24 -0.16 0.00 0.66 0.00 0.00 57.16 54.44 1rgj n GLU 41 Cb 0.48 -2.29 -0.01 0.00 0.27 0.00 0.00 31.44 29.89 1rgj n GLU 41 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1rgj n LEU 42 N 0.31 -0.55 0.00 4.31 4.32 -1.26 -4.23 117.00 119.90 1rgj n LEU 42 Ca 0.52 0.37 0.00 0.00 -0.02 0.00 0.00 56.01 56.89 1rgj n LEU 42 Cb 0.35 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 1rgj n LEU 42 CO 0.47 -1.13 0.00 0.61 -1.22 0.00 0.00 177.39 176.12 1rgj n GLY 43 N 0.72 -0.67 3.39 -0.72 0.00 0.94 -1.07 105.19 107.78 1rgj n GLY 43 Ca 0.06 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.22 1rgj n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rgj s ALA 45 N -3.49 -2.05 -1.21 0.00 0.00 -0.73 -4.63 121.76 109.66 1rgj s ALA 45 Ca 0.37 0.62 0.23 0.00 0.00 0.00 0.00 51.96 53.18 1rgj s ALA 45 Cb 0.08 0.40 0.11 0.00 0.00 0.00 0.00 23.12 23.71 1rgj s ALA 45 CO 0.14 -1.00 1.14 0.00 0.00 0.00 0.00 175.76 176.04 1rgj n ALA 46 N -0.44 4.08 0.00 0.00 0.00 -1.26 0.32 120.51 123.21 1rgj n ALA 46 Ca -0.07 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1rgj n ALA 46 Cb 0.62 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.16 1rgj n ALA 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rgj n THR 47 N -1.22 0.00 -3.97 0.00 -2.24 -1.26 -4.60 114.28 100.99 1rgj n THR 47 Ca 0.06 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.54 1rgj n THR 47 Cb 0.35 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.42 1rgj n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rgj n PRO 49 N 4.67 1.26 0.00 0.00 -0.04 -1.26 -4.99 135.00 134.64 1rgj n PRO 49 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 1rgj n PRO 49 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 1rgj n PRO 49 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1rgj n SER 50 N 0.00 0.00 0.00 3.54 2.88 -1.26 -5.04 113.62 113.75 1rgj n SER 50 Ca 0.00 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 1rgj n SER 50 Cb 0.00 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 1rgj n SER 50 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1rgj n LYS 51 N -1.76 0.00 -2.75 -1.46 5.02 -1.26 -5.00 118.16 110.95 1rgj n LYS 51 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 1rgj n LYS 51 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 1rgj n LYS 51 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1rgj s LYS 52 N -2.49 2.60 0.18 1.97 1.02 -0.41 -5.02 119.74 117.59 1rgj s LYS 52 Ca 0.00 -0.94 0.03 0.00 0.02 0.00 0.00 55.97 55.08 1rgj s LYS 52 Cb 0.00 -2.57 0.05 0.00 -0.52 0.00 0.00 37.83 34.79 1rgj s LYS 52 CO 0.00 -0.61 1.42 -1.00 -0.92 0.00 0.00 175.35 174.24 1rgj h PRO 53 N 0.22 0.21 0.00 -1.68 0.13 -2.00 -3.37 132.00 125.51 1rgj h PRO 53 Ca -0.41 -0.21 -0.30 0.00 -0.87 0.00 0.00 66.00 64.21 1rgj h PRO 53 Cb 1.29 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.42 1rgj h PRO 53 CO 0.50 0.92 -2.10 0.98 -0.23 0.00 0.00 178.00 178.06 1rgj n TYR 54 N -3.71 0.00 -3.37 1.56 9.36 -1.26 -4.85 117.16 114.88 1rgj n TYR 54 Ca -0.03 0.00 -0.45 0.00 3.32 0.00 0.00 57.90 60.74 1rgj n TYR 54 Cb 0.76 -0.74 -0.06 0.00 -0.63 0.00 0.00 39.34 38.68 1rgj n TYR 54 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1rgj s GLU 55 N -2.38 2.87 0.09 2.98 0.41 -1.26 -4.08 118.70 117.32 1rgj s GLU 55 Ca -0.26 -1.73 0.10 0.00 -0.41 0.00 0.00 54.97 52.66 1rgj s GLU 55 Cb 0.07 -4.21 -0.04 0.00 -1.78 0.00 0.00 34.13 28.18 1rgj s GLU 55 CO 0.43 -1.30 -0.25 -1.21 -0.49 0.00 0.00 175.26 172.45 1rgj s GLU 56 N 1.52 1.63 -0.12 1.61 2.02 -0.98 -1.29 118.70 123.10 1rgj s GLU 56 Ca 0.04 -1.22 0.01 0.00 0.02 0.00 0.00 54.97 53.82 1rgj s GLU 56 Cb -0.29 -1.98 -0.01 0.00 0.10 0.00 0.00 34.13 31.96 1rgj s GLU 56 CO 0.02 0.48 -0.18 0.14 0.02 0.00 0.00 175.26 175.75 1rgj s VAL 57 N -0.97 2.61 0.24 2.63 -7.23 -1.26 -0.33 120.40 116.09 1rgj s VAL 57 Ca 0.14 -0.81 -0.04 0.00 -1.81 0.00 0.00 61.98 59.45 1rgj s VAL 57 Cb -0.10 -2.07 0.06 0.00 0.56 0.00 0.00 36.38 34.83 1rgj s VAL 57 CO 0.05 0.54 0.17 0.41 -0.31 0.00 0.00 175.10 175.96 1rgj n THR 58 N 3.61 0.00 -3.52 5.32 -1.04 -1.02 -4.67 114.28 112.96 1rgj n THR 58 Ca -0.19 -0.04 -0.16 0.00 -2.04 0.00 0.00 64.05 61.62 1rgj n THR 58 Cb 0.53 -0.62 -0.05 0.00 -1.82 0.00 0.00 70.33 68.36 1rgj n THR 58 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rgj n SER 61 N -0.19 5.22 -3.55 0.00 2.88 -1.26 0.12 113.62 116.84 1rgj n SER 61 Ca -0.13 -3.75 -0.13 0.00 -1.33 0.00 0.00 58.87 53.54 1rgj n SER 61 Cb 0.63 -0.48 -0.05 0.00 -0.75 0.00 0.00 64.21 63.56 1rgj n SER 61 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1rgj s THR 62 N -5.01 0.03 0.49 2.46 2.01 -1.26 -4.97 115.64 109.39 1rgj s THR 62 Ca 0.51 -0.23 -0.21 0.00 0.31 0.00 0.00 61.69 62.06 1rgj s THR 62 Cb 0.42 -1.01 -0.07 0.00 0.01 0.00 0.00 72.50 71.85 1rgj s THR 62 CO -0.08 -0.13 1.14 -0.62 -0.69 0.00 0.00 174.62 174.24 1rgj s ASP 63 N -2.20 6.04 -1.67 3.53 3.68 -1.25 -3.09 116.67 121.71 1rgj s ASP 63 Ca -0.03 2.22 -0.09 0.00 2.13 0.00 0.00 52.55 56.77 1rgj s ASP 63 Cb -0.00 -2.59 0.09 0.00 -1.45 0.00 0.00 42.92 38.97 1rgj s ASP 63 CO -0.05 -1.00 0.27 0.29 0.13 0.00 0.00 175.17 174.81 1rgj n LYS 64 N -0.81 -1.11 0.00 4.34 4.76 -0.15 -4.76 118.16 120.43 1rgj n LYS 64 Ca 0.09 0.14 0.07 0.00 -2.87 0.00 0.00 58.31 55.74 1rgj n LYS 64 Cb 0.50 -4.11 0.04 0.00 -1.84 0.00 0.00 35.03 29.62 1rgj n LYS 64 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rgj n ASN 66 N 0.47 1.88 -3.46 0.00 4.13 -1.26 -4.89 115.26 112.13 1rgj n ASN 66 Ca 0.08 -3.19 -0.24 0.00 1.68 0.00 0.00 54.58 52.91 1rgj n ASN 66 Cb 0.34 -0.61 0.19 0.00 -1.54 0.00 0.00 39.78 38.16 1rgj n ASN 66 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1rgj n PRO 67 N 0.24 -1.89 -3.13 3.52 -0.04 -1.26 -4.55 135.00 127.89 1rgj n PRO 67 Ca 0.26 -1.55 -0.33 0.00 -0.04 0.00 0.00 63.50 61.84 1rgj n PRO 67 Cb 0.57 -1.22 -0.06 0.00 -0.04 0.00 0.00 33.50 32.74 1rgj n PRO 67 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1rgj s HIS 68 N -3.00 3.38 -2.00 0.54 2.46 -1.26 -4.94 115.29 110.47 1rgj s HIS 68 Ca 0.60 1.23 0.09 0.00 0.47 0.00 0.00 55.06 57.45 1rgj s HIS 68 Cb -0.04 -2.54 0.56 0.00 -0.13 0.00 0.00 32.58 30.43 1rgj s HIS 68 CO 0.44 0.10 1.16 -0.35 -2.47 0.00 0.00 174.74 173.62 1rgj n PRO 69 N -0.32 0.75 -0.11 2.88 -0.04 -1.26 -2.53 135.00 134.36 1rgj n PRO 69 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1rgj n PRO 69 Cb 0.53 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 1rgj n PRO 69 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1rgj n LYS 70 N -0.69 0.00 0.00 0.54 3.00 -1.26 -5.12 118.16 114.62 1rgj n LYS 70 Ca 0.07 -0.27 0.00 0.00 -0.00 0.00 0.00 58.31 58.11 1rgj n LYS 70 Cb 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 35.03 34.84 1rgj n LYS 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1rgj n GLN 71 N 0.00 0.00 0.00 1.64 10.64 -1.05 -4.91 117.38 123.70 1rgj n GLN 71 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1rgj n GLN 71 Cb 0.52 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.90 1rgj n GLN 71 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1rgj n ARG 72 N 0.00 0.00 -1.54 2.61 0.63 -1.26 -5.04 116.66 112.06 1rgj n ARG 72 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 1rgj n ARG 72 Cb 0.00 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.03 1rgj n ARG 72 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1rgj s PRO 73 N -1.14 1.43 0.00 -0.14 0.04 -1.26 -5.01 135.00 128.92 1rgj s PRO 73 Ca 0.00 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.44 1rgj s PRO 73 Cb 0.00 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1rgj s PRO 73 CO 0.00 -2.02 0.00 0.41 0.04 0.00 0.00 177.00 175.43