#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2t n GLN 1 N 0.00 -0.93 -3.74 2.12 3.00 -1.26 -1.14 117.38 115.42 1b2t n GLN 1 Ca 0.00 0.09 -0.26 0.00 -0.01 0.00 0.00 57.00 56.81 1b2t n GLN 1 Cb 0.00 -3.47 0.01 0.00 0.00 0.00 0.00 30.24 26.78 1b2t n GLN 1 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1b2t n HIS 2 N -4.41 -2.02 0.00 1.08 8.25 -1.26 -4.95 115.22 111.91 1b2t n HIS 2 Ca -0.30 0.68 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 1b2t n HIS 2 Cb 0.66 -3.02 0.00 0.00 1.12 0.00 0.00 29.99 28.75 1b2t n HIS 2 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1b2t n HIS 3 N -3.16 0.00 -4.11 4.41 8.25 -0.29 -5.15 115.22 115.16 1b2t n HIS 3 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 1b2t n HIS 3 Cb 0.63 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.74 1b2t n HIS 3 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b2t n GLY 4 N 0.00 -1.89 2.54 -1.41 0.00 -1.26 -4.55 105.19 98.62 1b2t n GLY 4 Ca 0.00 -1.37 -0.23 0.00 0.00 0.00 0.00 46.02 44.42 1b2t n GLY 4 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1b2t n VAL 5 N -0.19 2.08 -4.39 1.61 3.14 -1.26 -4.80 118.33 114.52 1b2t n VAL 5 Ca 0.00 -4.58 -0.20 0.00 -2.96 0.00 0.00 64.34 56.60 1b2t n VAL 5 Cb 0.00 -0.86 -0.10 0.00 -1.06 0.00 0.00 33.84 31.83 1b2t n VAL 5 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1b2t s THR 6 N -4.93 0.60 0.00 1.55 -4.23 -1.26 -5.01 115.64 102.36 1b2t s THR 6 Ca 0.44 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1b2t s THR 6 Cb 0.41 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.68 1b2t s THR 6 CO -0.14 0.00 0.00 2.29 -0.54 0.00 0.00 174.62 176.23 1b2t n LYS 7 N -0.64 0.00 -3.22 3.99 2.85 -1.26 -2.28 118.16 117.60 1b2t n LYS 7 Ca -0.01 0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 56.81 1b2t n LYS 7 Cb 0.66 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.97 1b2t n LYS 7 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1b2t n ASN 9 N 5.91 0.19 -3.80 0.00 0.23 -1.26 -3.87 115.26 112.66 1b2t n ASN 9 Ca -0.08 1.32 -0.22 0.00 -0.53 0.00 0.00 54.58 55.06 1b2t n ASN 9 Cb 0.45 -0.61 -0.17 0.00 -2.08 0.00 0.00 39.78 37.37 1b2t n ASN 9 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 1b2t s ILE 10 N -5.32 0.44 -0.13 1.53 2.07 -1.26 -5.14 121.20 113.39 1b2t s ILE 10 Ca -0.08 0.06 -0.05 0.00 -1.41 0.00 0.00 60.65 59.17 1b2t s ILE 10 Cb 0.26 -0.56 -0.04 0.00 0.13 0.00 0.00 42.46 42.25 1b2t s ILE 10 CO 0.62 0.26 0.04 0.28 -1.91 0.00 0.00 174.94 174.22 1b2t s THR 11 N 1.75 4.60 -0.92 4.00 -1.32 -1.25 -4.69 115.64 117.81 1b2t s THR 11 Ca 0.02 -0.12 -0.04 0.00 -1.21 0.00 0.00 61.69 60.34 1b2t s THR 11 Cb -0.13 -3.01 0.12 0.00 -1.51 0.00 0.00 72.50 67.98 1b2t s THR 11 CO -0.04 0.54 2.50 0.00 -2.21 0.00 0.00 174.62 175.40 1b2t h SER 13 N 3.83 0.34 -3.91 0.00 0.87 -1.91 -2.42 113.55 110.35 1b2t h SER 13 Ca 0.56 -0.26 -0.43 0.00 -1.23 0.00 0.00 61.79 60.43 1b2t h SER 13 Cb 0.47 -0.10 -0.18 0.00 -0.44 0.00 0.00 62.40 62.15 1b2t h SER 13 CO 1.20 1.03 -0.76 -0.75 -0.53 0.00 0.00 176.83 177.02 1b2t s LYS 14 N -3.34 1.09 0.26 2.24 2.47 -1.26 -4.92 119.74 116.28 1b2t s LYS 14 Ca -0.04 -1.30 0.06 0.00 -1.56 0.00 0.00 55.97 53.13 1b2t s LYS 14 Cb 0.10 -0.98 -0.03 0.00 -1.46 0.00 0.00 37.83 35.46 1b2t s LYS 14 CO 0.83 0.19 0.31 -1.64 0.16 0.00 0.00 175.35 175.20 1b2t s MET 15 N -2.80 3.18 0.00 4.03 -1.94 -1.26 -4.64 119.30 115.87 1b2t s MET 15 Ca 0.11 -0.92 0.00 0.00 -1.71 0.00 0.00 55.69 53.17 1b2t s MET 15 Cb -0.04 -2.74 0.00 0.00 2.01 0.00 0.00 34.83 34.06 1b2t s MET 15 CO 0.04 0.36 0.00 -2.37 -0.01 0.00 0.00 175.02 173.04 1b2t n THR 16 N -1.35 0.00 -3.40 2.05 5.66 -1.26 -5.03 114.28 110.95 1b2t n THR 16 Ca -0.07 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.75 1b2t n THR 16 Cb 0.58 -0.63 0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1b2t n THR 16 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1b2t n SER 17 N -1.95 2.00 -4.75 1.09 3.41 -1.26 -5.02 113.62 107.14 1b2t n SER 17 Ca 0.00 -2.33 -0.41 0.00 -0.26 0.00 0.00 58.87 55.87 1b2t n SER 17 Cb 0.00 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 63.73 1b2t n SER 17 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1b2t s LYS 18 N -3.91 4.53 -0.01 4.33 2.20 -1.26 -5.04 119.74 120.58 1b2t s LYS 18 Ca 0.36 1.89 0.02 0.00 -0.36 0.00 0.00 55.97 57.88 1b2t s LYS 18 Cb -0.03 -3.21 -0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1b2t s LYS 18 CO 0.23 -0.00 -0.07 0.42 -0.36 0.00 0.00 175.35 175.57 1b2t s ILE 19 N -0.52 0.55 0.15 5.43 1.01 -1.26 -5.12 121.20 121.45 1b2t s ILE 19 Ca 0.50 -0.29 -0.34 0.00 0.00 0.00 0.00 60.65 60.51 1b2t s ILE 19 Cb -0.33 -0.47 -0.15 0.00 0.01 0.00 0.00 42.46 41.52 1b2t s ILE 19 CO 0.40 0.16 1.38 -0.81 0.00 0.00 0.00 174.94 176.07 1b2t n PRO 20 N 2.96 1.60 0.31 2.79 -0.04 -1.26 -4.84 135.00 136.52 1b2t n PRO 20 Ca -0.14 0.58 0.17 0.00 -0.04 0.00 0.00 63.50 64.07 1b2t n PRO 20 Cb 0.57 -2.23 0.98 0.00 -0.04 0.00 0.00 33.50 32.78 1b2t n PRO 20 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1b2t h VAL 21 N 3.22 0.33 0.00 0.52 2.07 -1.95 -0.29 116.25 120.16 1b2t h VAL 21 Ca -0.45 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1b2t h VAL 21 Cb 1.30 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1b2t h VAL 21 CO 0.79 0.02 0.00 0.00 0.02 0.00 0.00 177.57 178.40 1b2t n ALA 22 N -2.22 1.96 0.76 1.67 0.00 -1.26 -1.84 120.51 119.58 1b2t n ALA 22 Ca -0.03 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.41 1b2t n ALA 22 Cb 0.12 -1.27 0.01 0.00 0.00 0.00 0.00 19.45 18.31 1b2t n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1b2t n LEU 23 N -1.21 1.84 -4.77 0.00 7.99 -0.12 -4.94 117.00 115.78 1b2t n LEU 23 Ca 0.09 -0.81 -0.36 0.00 -0.01 0.00 0.00 56.01 54.92 1b2t n LEU 23 Cb 0.11 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.35 1b2t n LEU 23 CO 0.12 0.34 -0.08 -0.76 -1.51 0.00 0.00 177.39 175.50 1b2t s LEU 24 N -2.00 4.29 -0.15 2.23 1.43 -0.77 -1.75 118.68 121.97 1b2t s LEU 24 Ca 0.15 0.47 0.13 0.00 -1.03 0.00 0.00 54.13 53.86 1b2t s LEU 24 Cb 0.14 -2.25 -0.19 0.00 0.03 0.00 0.00 46.19 43.92 1b2t s LEU 24 CO 0.40 0.21 0.05 2.30 0.23 0.00 0.00 176.35 179.54 1b2t n ILE 25 N 3.02 1.03 -3.51 -0.59 -5.35 0.15 -4.82 119.36 109.29 1b2t n ILE 25 Ca -0.15 -0.64 -0.11 0.00 -0.27 0.00 0.00 62.75 61.58 1b2t n ILE 25 Cb 0.53 -0.59 -0.02 0.00 -1.74 0.00 0.00 39.64 37.81 1b2t n ILE 25 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 1b2t s HIS 26 N -2.37 -0.46 0.04 4.28 3.76 -0.97 -5.04 115.29 114.53 1b2t s HIS 26 Ca -0.07 0.20 0.04 0.00 -0.15 0.00 0.00 55.06 55.08 1b2t s HIS 26 Cb 0.05 0.59 -0.02 0.00 1.11 0.00 0.00 32.58 34.31 1b2t s HIS 26 CO 0.62 -0.92 -0.11 1.52 -0.85 0.00 0.00 174.74 174.99 1b2t s TYR 27 N -3.77 0.98 0.11 1.40 -0.85 -1.26 0.21 117.35 114.17 1b2t s TYR 27 Ca 0.03 -0.36 -0.06 0.00 -0.52 0.00 0.00 57.07 56.17 1b2t s TYR 27 Cb -0.02 -0.58 -0.02 0.00 0.38 0.00 0.00 41.96 41.72 1b2t s TYR 27 CO -0.09 0.00 0.14 1.14 -1.52 0.00 0.00 175.55 175.23 1b2t s GLN 28 N -1.14 0.90 -0.02 -3.49 -2.07 0.10 -4.97 119.66 108.98 1b2t s GLN 28 Ca -0.01 -1.17 -0.03 0.00 -1.82 0.00 0.00 55.36 52.32 1b2t s GLN 28 Cb -0.08 0.30 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 1b2t s GLN 28 CO 0.01 -0.28 0.18 1.14 -1.32 0.00 0.00 175.29 175.02 1b2t s GLN 29 N -3.94 3.43 0.87 9.60 -2.07 -1.26 0.07 119.66 126.35 1b2t s GLN 29 Ca 0.13 -0.31 -0.12 0.00 -1.82 0.00 0.00 55.36 53.24 1b2t s GLN 29 Cb 0.06 -3.10 0.11 0.00 -1.09 0.00 0.00 33.01 28.99 1b2t s GLN 29 CO -0.05 0.68 1.12 1.21 -1.32 0.00 0.00 175.29 176.93 1b2t s ASN 30 N -1.87 3.88 0.15 12.60 2.47 -1.17 -4.79 114.94 126.22 1b2t s ASN 30 Ca 0.26 1.10 0.03 0.00 0.42 0.00 0.00 52.86 54.67 1b2t s ASN 30 Cb -0.13 -1.73 -0.04 0.00 -1.45 0.00 0.00 41.25 37.91 1b2t s ASN 30 CO 0.18 -2.33 0.27 -1.10 -3.72 0.00 0.00 177.10 170.39 1b2t s GLN 31 N -5.23 3.36 0.00 0.43 -0.21 -1.26 -4.96 119.66 111.79 1b2t s GLN 31 Ca 0.63 -0.65 0.22 0.00 0.02 0.00 0.00 55.36 55.58 1b2t s GLN 31 Cb -0.15 -2.92 1.17 0.00 1.00 0.00 0.00 33.01 32.12 1b2t s GLN 31 CO 0.54 0.51 1.71 0.00 -2.12 0.00 0.00 175.29 175.93 1b2t n ALA 32 N -0.56 2.19 -0.63 6.09 0.00 -1.26 -2.44 120.51 123.90 1b2t n ALA 32 Ca -0.07 -0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.35 1b2t n ALA 32 Cb 0.54 -1.36 0.36 0.00 0.00 0.00 0.00 19.45 19.00 1b2t n ALA 32 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1b2t n SER 33 N -1.20 4.81 0.00 0.00 3.41 -1.26 -4.94 113.62 114.43 1b2t n SER 33 Ca 0.12 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 1b2t n SER 33 Cb 0.15 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1b2t n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b2t n GLY 35 N 3.64 -3.44 3.34 0.00 0.00 -1.26 -4.87 105.19 102.61 1b2t n GLY 35 Ca 0.00 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.52 1b2t n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b2t n LYS 36 N -0.38 -0.14 -1.74 1.61 4.01 -0.91 -4.66 118.16 115.94 1b2t n LYS 36 Ca 0.00 -0.01 -0.40 0.00 -0.51 0.00 0.00 58.31 57.40 1b2t n LYS 36 Cb 0.00 -1.67 -0.03 0.00 -0.51 0.00 0.00 35.03 32.82 1b2t n LYS 36 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1b2t n ARG 37 N -0.67 2.18 -2.02 1.97 1.74 -1.26 -4.62 116.66 113.97 1b2t n ARG 37 Ca 0.06 -2.43 -0.07 0.00 -0.77 0.00 0.00 57.85 54.64 1b2t n ARG 37 Cb 0.53 -3.29 0.01 0.00 -1.02 0.00 0.00 32.46 28.69 1b2t n ARG 37 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1b2t n ALA 38 N 8.71 0.29 -2.61 7.54 0.00 -1.26 -4.61 120.51 128.56 1b2t n ALA 38 Ca 0.49 -0.65 -0.30 0.00 0.00 0.00 0.00 53.44 52.98 1b2t n ALA 38 Cb 0.42 0.24 -0.09 0.00 0.00 0.00 0.00 19.45 20.02 1b2t n ALA 38 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1b2t s ILE 39 N -0.60 3.61 -0.26 0.00 -1.09 0.13 -3.02 121.20 119.97 1b2t s ILE 39 Ca 0.12 -1.08 -0.08 0.00 -2.23 0.00 0.00 60.65 57.38 1b2t s ILE 39 Cb -0.01 -2.67 -0.02 0.00 -1.58 0.00 0.00 42.46 38.17 1b2t s ILE 39 CO 0.08 0.18 0.08 -0.63 -1.23 0.00 0.00 174.94 173.42 1b2t s ILE 40 N -1.19 4.36 -0.17 2.92 -1.09 0.11 0.05 121.20 126.18 1b2t s ILE 40 Ca 0.22 -0.22 -0.06 0.00 -2.23 0.00 0.00 60.65 58.36 1b2t s ILE 40 Cb -0.11 -3.07 -0.04 0.00 -1.58 0.00 0.00 42.46 37.66 1b2t s ILE 40 CO 0.14 0.29 0.04 -0.76 -1.23 0.00 0.00 174.94 173.41 1b2t s LEU 41 N 1.61 3.69 -0.20 2.97 1.43 -0.27 0.00 118.68 127.91 1b2t s LEU 41 Ca 0.06 0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 53.13 1b2t s LEU 41 Cb -0.15 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 1b2t s LEU 41 CO 0.04 0.18 0.06 -0.70 0.23 0.00 0.00 176.35 176.16 1b2t s GLU 42 N 0.33 3.88 0.39 1.70 2.12 0.13 -1.51 118.70 125.74 1b2t s GLU 42 Ca 0.02 -0.39 0.08 0.00 0.36 0.00 0.00 54.97 55.04 1b2t s GLU 42 Cb -0.13 -3.23 -0.01 0.00 0.26 0.00 0.00 34.13 31.02 1b2t s GLU 42 CO 0.01 0.15 0.42 0.95 -0.54 0.00 0.00 175.26 176.25 1b2t s THR 43 N 0.70 3.05 0.23 -1.70 -4.23 -0.59 0.32 115.64 113.41 1b2t s THR 43 Ca 0.03 -1.23 0.32 0.00 -1.18 0.00 0.00 61.69 59.63 1b2t s THR 43 Cb -0.13 -3.07 0.32 0.00 1.34 0.00 0.00 72.50 70.95 1b2t s THR 43 CO 0.02 -0.05 1.97 0.03 -0.54 0.00 0.00 174.62 176.05 1b2t h ARG 44 N 0.97 0.00 -0.81 3.99 3.08 -1.66 -0.51 114.38 119.44 1b2t h ARG 44 Ca -0.42 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.17 1b2t h ARG 44 Cb 1.27 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 31.06 1b2t h ARG 44 CO 0.54 0.00 0.41 1.04 -1.07 0.00 0.00 179.97 180.89 1b2t n GLN 45 N -2.64 2.30 -3.94 0.04 6.02 -1.26 -4.92 117.38 112.99 1b2t n GLN 45 Ca -0.02 -3.19 -0.25 0.00 -0.01 0.00 0.00 57.00 53.53 1b2t n GLN 45 Cb 0.07 -2.11 -0.02 0.00 1.02 0.00 0.00 30.24 29.21 1b2t n GLN 45 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1b2t n HIS 46 N -1.07 -1.67 -4.11 1.08 8.25 -0.20 -4.95 115.22 112.55 1b2t n HIS 46 Ca 0.52 0.75 -0.35 0.00 -0.26 0.00 0.00 57.72 58.39 1b2t n HIS 46 Cb 1.27 -3.78 -0.12 0.00 1.12 0.00 0.00 29.99 28.48 1b2t n HIS 46 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1b2t s ARG 47 N -6.52 3.71 -0.27 -0.41 3.00 -1.24 -4.87 118.95 112.34 1b2t s ARG 47 Ca 0.02 -0.48 -0.07 0.00 -1.00 0.00 0.00 55.73 54.20 1b2t s ARG 47 Cb -0.01 -3.09 -0.01 0.00 0.00 0.00 0.00 34.95 31.84 1b2t s ARG 47 CO 0.88 0.10 0.07 -0.51 0.00 0.00 0.00 175.30 175.84 1b2t s LEU 48 N 0.78 3.61 -0.14 -0.88 1.43 -1.23 -1.54 118.68 120.71 1b2t s LEU 48 Ca 0.01 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1b2t s LEU 48 Cb -0.14 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 1b2t s LEU 48 CO 0.02 -0.12 -0.09 -0.36 0.23 0.00 0.00 176.35 176.04 1b2t s PHE 49 N 1.55 2.91 -1.14 0.29 0.08 -0.57 -4.86 117.98 116.24 1b2t s PHE 49 Ca 0.04 -0.48 -0.14 0.00 0.12 0.00 0.00 56.93 56.47 1b2t s PHE 49 Cb -0.16 -1.90 0.18 0.00 -0.57 0.00 0.00 43.02 40.57 1b2t s PHE 49 CO 0.02 -0.13 1.33 0.00 -0.10 0.00 0.00 175.22 176.34 1b2t s ALA 51 N 1.44 3.26 0.33 0.00 0.00 0.11 -4.17 121.76 122.72 1b2t s ALA 51 Ca 0.39 -1.00 -0.29 0.00 0.00 0.00 0.00 51.96 51.06 1b2t s ALA 51 Cb -0.04 -2.05 -0.12 0.00 0.00 0.00 0.00 23.12 20.91 1b2t s ALA 51 CO -0.03 -0.27 1.36 -3.47 0.00 0.00 0.00 175.76 173.35 1b2t n ASP 52 N 4.48 3.01 0.30 0.00 2.03 -1.26 0.17 116.55 125.27 1b2t n ASP 52 Ca -0.16 1.20 0.10 0.00 0.52 0.00 0.00 54.79 56.45 1b2t n ASP 52 Cb 0.52 -1.51 0.50 0.00 -0.72 0.00 0.00 41.12 39.91 1b2t n ASP 52 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1b2t h PRO 53 N 3.05 0.00 -0.03 -0.67 0.11 -1.88 0.55 132.00 133.12 1b2t h PRO 53 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1b2t h PRO 53 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1b2t h PRO 53 CO 0.66 0.00 -0.04 0.87 -0.21 0.00 0.00 178.00 179.28 1b2t h LYS 54 N 0.00 0.08 -5.49 1.05 1.79 -1.96 -3.39 116.57 108.65 1b2t h LYS 54 Ca 0.03 -0.05 -0.72 0.00 -2.18 0.00 0.00 60.65 57.73 1b2t h LYS 54 Cb 1.27 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.97 1b2t h LYS 54 CO -0.00 0.59 0.06 0.39 -1.08 0.00 0.00 179.45 179.40 1b2t n GLU 55 N -4.76 0.00 0.32 3.15 1.02 0.18 -4.74 120.64 115.80 1b2t n GLU 55 Ca -0.08 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.89 1b2t n GLU 55 Cb 0.30 -1.37 -0.08 0.00 -0.02 0.00 0.00 31.44 30.26 1b2t n GLU 55 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1b2t h GLN 56 N 2.75 -0.82 0.00 3.49 -0.00 -1.88 -1.68 115.11 116.97 1b2t h GLN 56 Ca -0.47 0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.24 1b2t h GLN 56 Cb 1.31 0.19 0.00 0.00 0.00 0.00 0.00 27.48 28.97 1b2t h GLN 56 CO 0.60 -0.55 0.45 0.11 0.00 0.00 0.00 178.83 179.44 1b2t h TRP 57 N -0.85 0.00 0.13 3.99 5.08 -1.95 0.25 115.95 122.60 1b2t h TRP 57 Ca -0.07 0.00 -0.33 0.00 1.08 0.00 0.00 58.89 59.57 1b2t h TRP 57 Cb 0.69 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.84 1b2t h TRP 57 CO -0.10 0.00 -1.75 0.28 -1.28 0.00 0.00 178.44 175.59 1b2t h VAL 58 N 0.00 0.81 -0.12 0.12 2.07 -1.65 -2.29 116.25 115.19 1b2t h VAL 58 Ca 0.00 -2.38 -0.02 0.00 0.82 0.00 0.00 66.70 65.12 1b2t h VAL 58 Cb 0.91 2.59 -0.00 0.00 -1.52 0.00 0.00 31.29 33.27 1b2t h VAL 58 CO 0.00 0.80 -0.00 0.11 0.02 0.00 0.00 177.57 178.50 1b2t h LYS 59 N -0.09 0.21 -0.21 1.57 1.57 0.05 -2.33 116.57 117.34 1b2t h LYS 59 Ca -0.37 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.23 1b2t h LYS 59 Cb 1.94 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 34.23 1b2t h LYS 59 CO 0.08 0.46 -0.28 -0.44 -0.57 0.00 0.00 179.45 178.70 1b2t h ASP 60 N -0.07 0.62 -0.78 0.86 3.32 -1.30 -2.34 116.42 116.73 1b2t h ASP 60 Ca 0.03 -0.51 0.17 0.00 0.02 0.00 0.00 57.03 56.74 1b2t h ASP 60 Cb 0.37 -0.17 -0.11 0.00 0.22 0.00 0.00 39.33 39.63 1b2t h ASP 60 CO 0.01 1.00 0.25 0.00 -1.72 0.00 0.00 179.24 178.77 1b2t h ALA 61 N 0.63 1.08 -0.02 3.45 0.00 -1.40 -1.22 119.26 121.77 1b2t h ALA 61 Ca 0.02 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1b2t h ALA 61 Cb 0.86 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1b2t h ALA 61 CO 0.07 -0.31 -0.01 0.52 0.00 0.00 0.00 179.25 179.51 1b2t h MET 62 N 0.33 0.04 -1.36 0.00 2.86 -1.37 -2.47 114.93 112.96 1b2t h MET 62 Ca 0.45 -0.02 0.40 0.00 -2.06 0.00 0.00 59.70 58.47 1b2t h MET 62 Cb 0.77 -0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.34 1b2t h MET 62 CO -0.50 0.45 0.93 0.37 1.06 0.00 0.00 176.91 179.22 1b2t h GLN 63 N -0.36 0.10 -0.00 1.72 4.15 -0.69 0.50 115.11 120.52 1b2t h GLN 63 Ca 0.00 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1b2t h GLN 63 Cb 0.43 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.10 1b2t h GLN 63 CO 0.00 0.07 -0.02 1.25 -1.93 0.00 0.00 178.83 178.20 1b2t h HIS 64 N 0.10 0.02 -0.36 3.99 2.76 -1.11 -2.83 115.15 117.72 1b2t h HIS 64 Ca 0.72 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.92 1b2t h HIS 64 Cb 2.52 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 31.46 1b2t h HIS 64 CO -0.00 0.80 0.24 -0.07 -1.30 0.00 0.00 177.93 177.61 1b2t h LEU 65 N -0.77 0.29 -0.66 0.26 3.38 0.22 -0.83 115.31 117.20 1b2t h LEU 65 Ca -0.00 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1b2t h LEU 65 Cb 0.81 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1b2t h LEU 65 CO 0.00 0.19 -0.61 0.44 0.09 0.00 0.00 178.44 178.56 1b2t h ASP 66 N 0.33 0.25 -0.45 -0.43 3.32 -0.40 -3.06 116.42 115.98 1b2t h ASP 66 Ca 0.15 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1b2t h ASP 66 Cb 0.19 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1b2t h ASP 66 CO -0.03 0.80 -0.05 0.03 -1.72 0.00 0.00 179.24 178.26 1b2t h ARG 67 N 0.16 0.89 0.00 3.56 3.08 -0.90 -2.31 114.38 118.87 1b2t h ARG 67 Ca -0.01 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 1b2t h ARG 67 Cb 1.11 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 1b2t h ARG 67 CO 0.09 0.92 -0.04 1.96 -1.07 0.00 0.00 179.97 181.83 1b2t h GLN 68 N 0.82 0.00 0.00 0.04 4.20 -1.39 1.89 115.11 120.66 1b2t h GLN 68 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1b2t h GLN 68 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1b2t h GLN 68 CO 0.03 0.04 0.00 0.00 -0.67 0.00 0.00 178.83 178.23 1b2t h ALA 69 N 1.96 1.00 0.00 3.87 0.00 -1.31 -3.35 119.26 121.43 1b2t h ALA 69 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b2t h ALA 69 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1b2t h ALA 69 CO 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 179.25 178.89 1b2t n ALA 70 N -1.85 2.54 -0.81 0.00 0.00 -0.90 -3.62 120.51 115.86 1b2t n ALA 70 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1b2t n ALA 70 Cb 0.25 0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1b2t n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b2t n ALA 71 N -2.30 0.00 0.06 0.00 0.00 0.64 -3.79 120.51 115.11 1b2t n ALA 71 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1b2t n ALA 71 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.62 1b2t n ALA 71 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1b2t h LEU 72 N 0.00 -0.16-10.16 0.00 4.07 -1.76 -3.44 115.31 103.86 1b2t h LEU 72 Ca 0.00 0.01 -0.49 0.00 0.08 0.00 0.00 57.88 57.48 1b2t h LEU 72 Cb 0.00 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1b2t h LEU 72 CO 0.00 -0.10 -0.32 0.28 -1.08 0.00 0.00 178.44 177.22 1b2t s THR 73 N -3.37 5.19 -1.46 0.22 -1.32 -1.25 -5.01 115.64 108.65 1b2t s THR 73 Ca -0.02 -0.60 0.19 0.00 -1.21 0.00 0.00 61.69 60.04 1b2t s THR 73 Cb 0.00 -3.82 0.58 0.00 -1.51 0.00 0.00 72.50 67.76 1b2t s THR 73 CO 0.08 -0.35 1.49 0.54 -2.21 0.00 0.00 174.62 174.16 1b2t n ARG 74 N -1.27 3.01 0.02 7.08 1.74 -1.26 -2.41 116.66 123.58 1b2t n ARG 74 Ca -0.06 -2.58 0.00 0.00 -0.77 0.00 0.00 57.85 54.44 1b2t n ARG 74 Cb 0.56 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 1b2t n ARG 74 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1b2t n ASN 75 N 1.17 0.34 0.00 0.55 5.15 -1.24 -4.89 115.26 116.34 1b2t n ASN 75 Ca 0.22 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.27 1b2t n ASN 75 Cb 0.65 -0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.82 1b2t n ASN 75 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27