#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2heq s ALA 2 N 0.00 -1.98 -0.18 3.17 0.00 -1.26 -5.09 121.76 116.42 2heq s ALA 2 Ca 0.00 1.83 -0.13 0.00 0.00 0.00 0.00 51.96 53.66 2heq s ALA 2 Cb 0.00 -1.37 -0.07 0.00 0.00 0.00 0.00 23.12 21.67 2heq s ALA 2 CO 0.00 -0.24 -0.30 0.41 0.00 0.00 0.00 175.76 175.64 2heq n GLY 3 N 2.01 -0.42 3.09 0.00 0.00 -1.26 -5.01 105.19 103.60 2heq n GLY 3 Ca -0.12 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 2heq n GLY 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2heq s ASP 4 N -6.47 0.16 -0.09 1.61 2.15 -1.26 -5.02 116.67 107.75 2heq s ASP 4 Ca -0.28 0.70 0.06 0.00 0.43 0.00 0.00 52.55 53.46 2heq s ASP 4 Cb 0.08 0.95 0.33 0.00 -0.30 0.00 0.00 42.92 43.98 2heq s ASP 4 CO 0.38 -0.24 1.04 -0.81 -0.17 0.00 0.00 175.17 175.37 2heq n PRO 5 N 5.37 2.51 -1.96 4.34 -0.04 -1.26 -4.95 135.00 139.01 2heq n PRO 5 Ca -0.07 -1.28 -0.02 0.00 -0.04 0.00 0.00 63.50 62.09 2heq n PRO 5 Cb 0.50 -1.75 -0.02 0.00 -0.04 0.00 0.00 33.50 32.19 2heq n PRO 5 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2heq n LEU 6 N 0.28 -4.14 0.22 1.53 4.77 -1.26 -4.92 117.00 113.48 2heq n LEU 6 Ca 0.11 1.24 0.14 0.00 -0.03 0.00 0.00 56.01 57.47 2heq n LEU 6 Cb 0.60 -2.15 0.40 0.00 -2.33 0.00 0.00 43.42 39.94 2heq n LEU 6 CO 0.13 -1.91 0.89 -0.65 -1.33 0.00 0.00 177.39 174.52 2heq h PRO 7 N 2.08 0.00 -6.32 3.23 0.11 -2.02 -3.43 132.00 125.65 2heq h PRO 7 Ca -0.22 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.32 2heq h PRO 7 Cb 0.50 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.56 2heq h PRO 7 CO 0.00 0.00 0.99 0.21 -0.21 0.00 0.00 178.00 178.99 2heq s LYS 8 N -3.36 3.93 0.27 1.05 2.47 -1.26 -4.98 119.74 117.86 2heq s LYS 8 Ca 0.05 1.37 -0.29 0.00 -1.56 0.00 0.00 55.97 55.54 2heq s LYS 8 Cb 0.08 -3.89 -0.10 0.00 -1.46 0.00 0.00 37.83 32.46 2heq s LYS 8 CO 0.60 -1.10 1.24 0.71 0.16 0.00 0.00 175.35 176.96 2heq s TYR 9 N 4.40 3.28 0.87 4.03 2.02 -1.26 -4.99 117.35 125.71 2heq s TYR 9 Ca 0.59 1.45 -0.11 0.00 -0.37 0.00 0.00 57.07 58.63 2heq s TYR 9 Cb -0.19 -3.53 0.12 0.00 -0.40 0.00 0.00 41.96 37.97 2heq s TYR 9 CO 0.23 -1.43 1.16 -1.58 -1.57 0.00 0.00 175.55 172.36 2heq s TRP 10 N -0.75 1.74 0.09 2.71 0.51 -1.26 -4.93 118.94 117.06 2heq s TRP 10 Ca 0.50 1.74 0.15 0.00 -2.12 0.00 0.00 56.10 56.38 2heq s TRP 10 Cb -0.36 -3.37 0.37 0.00 -0.81 0.00 0.00 33.47 29.30 2heq s TRP 10 CO 0.45 -2.75 1.59 1.03 -0.51 0.00 0.00 176.95 176.76 2heq h SER 11 N -1.52 0.00 -3.33 2.95 0.87 -2.00 -3.42 113.55 107.10 2heq h SER 11 Ca -0.44 0.00 -0.67 0.00 -1.23 0.00 0.00 61.79 59.45 2heq h SER 11 Cb 1.27 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.94 2heq h SER 11 CO 0.44 0.52 -0.82 -0.31 -0.53 0.00 0.00 176.83 176.13 2heq s TYR 12 N -3.33 2.70 0.96 2.24 2.02 -1.26 -5.13 117.35 115.55 2heq s TYR 12 Ca 0.01 -0.84 -0.14 0.00 -0.37 0.00 0.00 57.07 55.72 2heq s TYR 12 Cb 0.10 -1.79 0.17 0.00 -0.40 0.00 0.00 41.96 40.05 2heq s TYR 12 CO 0.73 -0.32 1.19 -1.25 -1.57 0.00 0.00 175.55 174.34 2heq s PRO 13 N 0.37 0.74 0.08 -1.71 0.04 -1.26 -5.05 135.00 128.21 2heq s PRO 13 Ca -0.14 -0.00 -0.21 0.00 0.04 0.00 0.00 61.00 60.68 2heq s PRO 13 Cb -0.17 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 2heq s PRO 13 CO 0.07 -2.41 0.63 0.08 0.04 0.00 0.00 177.00 175.41 2heq s VAL 14 N -3.46 4.68 0.00 -0.36 1.01 -1.26 -3.78 120.40 117.23 2heq s VAL 14 Ca 0.68 1.36 0.00 0.00 0.00 0.00 0.00 61.98 64.02 2heq s VAL 14 Cb -0.10 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2heq s VAL 14 CO 0.53 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.75 2heq n GLY 15 N 1.86 0.68 3.72 4.51 0.00 0.53 -5.02 105.19 111.47 2heq n GLY 15 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2heq n GLY 15 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2heq s LEU 16 N 0.00 4.38 -0.25 0.99 2.96 -1.25 -4.80 118.68 120.72 2heq s LEU 16 Ca 0.00 2.01 -0.26 0.00 -0.22 0.00 0.00 54.13 55.66 2heq s LEU 16 Cb 0.00 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.11 2heq s LEU 16 CO 0.00 -0.43 0.91 0.00 -1.32 0.00 0.00 176.35 175.50 2heq s ALA 17 N 0.91 3.65 0.05 5.97 0.00 -1.26 -1.97 121.76 129.11 2heq s ALA 17 Ca 0.57 -0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.55 2heq s ALA 17 Cb -0.29 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 2heq s ALA 17 CO 0.30 -1.01 -0.19 0.14 0.00 0.00 0.00 175.76 175.00 2heq s VAL 18 N 3.00 1.50 -0.00 0.00 -7.23 0.63 -0.64 120.40 117.66 2heq s VAL 18 Ca 0.38 -1.21 -0.01 0.00 -1.81 0.00 0.00 61.98 59.33 2heq s VAL 18 Cb -0.15 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 2heq s VAL 18 CO 0.08 0.09 0.13 -1.83 -0.31 0.00 0.00 175.10 173.26 2heq s GLU 19 N -1.32 3.25 -0.60 4.82 4.04 0.77 -0.22 118.70 129.45 2heq s GLU 19 Ca 0.05 -0.41 -0.27 0.00 0.04 0.00 0.00 54.97 54.39 2heq s GLU 19 Cb -0.09 -2.98 -0.01 0.00 0.02 0.00 0.00 34.13 31.07 2heq s GLU 19 CO 0.02 0.66 1.73 0.42 -1.84 0.00 0.00 175.26 176.25 2heq s ILE 20 N -1.27 3.46 0.80 1.83 -1.09 0.74 -1.77 121.20 123.90 2heq s ILE 20 Ca 0.25 0.30 -0.11 0.00 -2.23 0.00 0.00 60.65 58.87 2heq s ILE 20 Cb -0.12 -4.11 0.07 0.00 -1.58 0.00 0.00 42.46 36.72 2heq s ILE 20 CO 0.17 -1.03 1.09 0.54 -1.23 0.00 0.00 174.94 174.48 2heq s ASN 21 N 6.98 4.33 0.00 3.58 2.20 -1.24 -2.21 114.94 128.57 2heq s ASN 21 Ca 0.62 1.72 0.00 0.00 -0.94 0.00 0.00 52.86 54.26 2heq s ASN 21 Cb -0.12 -2.42 0.00 0.00 -2.00 0.00 0.00 41.25 36.70 2heq s ASN 21 CO 0.21 -2.13 0.61 0.59 -2.94 0.00 0.00 177.10 173.44 2heq n ASN 22 N -3.58 1.60 -0.06 3.54 3.02 -1.26 -2.20 115.26 116.32 2heq n ASN 22 Ca 0.08 -1.66 -0.07 0.00 -0.03 0.00 0.00 54.58 52.90 2heq n ASN 22 Cb 0.54 -0.42 -0.15 0.00 -0.61 0.00 0.00 39.78 39.14 2heq n ASN 22 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2heq n ASN 23 N 0.32 0.32 0.00 6.41 5.15 -1.26 -4.03 115.26 122.17 2heq n ASN 23 Ca 0.00 0.15 0.12 0.00 -0.60 0.00 0.00 54.58 54.25 2heq n ASN 23 Cb 0.30 0.70 0.60 0.00 -0.53 0.00 0.00 39.78 40.86 2heq n ASN 23 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2heq n ALA 24 N -2.63 2.22 0.30 5.20 0.00 -0.94 -3.31 120.51 121.36 2heq n ALA 24 Ca -0.24 -0.11 0.17 0.00 0.00 0.00 0.00 53.44 53.26 2heq n ALA 24 Cb 1.06 -1.39 0.96 0.00 0.00 0.00 0.00 19.45 20.08 2heq n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2heq h ARG 25 N 0.00 0.00 0.00 0.00 3.08 -1.75 0.17 114.38 115.88 2heq h ARG 25 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2heq h ARG 25 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2heq h ARG 25 CO 0.00 0.03 -0.64 -0.92 -1.07 0.00 0.00 179.97 177.36 2heq h TYR 26 N 0.00 0.00 -0.01 3.04 3.20 -1.85 -3.21 116.97 118.14 2heq h TYR 26 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2heq h TYR 26 Cb 0.11 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.38 2heq h TYR 26 CO 0.00 0.00 -0.15 0.41 -1.64 0.00 0.00 178.16 176.78 2heq n GLY 27 N 1.27 -0.21 2.93 1.82 0.00 -0.42 -4.84 105.19 105.73 2heq n GLY 27 Ca 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 2heq n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2heq s PRO 29 N 1.46 4.13 -1.51 0.00 0.02 -1.21 -2.81 135.00 135.09 2heq s PRO 29 Ca 0.21 2.59 -0.13 0.00 0.02 0.00 0.00 61.00 63.70 2heq s PRO 29 Cb 0.01 -3.34 0.07 0.00 0.02 0.00 0.00 34.50 31.26 2heq s PRO 29 CO -0.08 -0.79 1.00 0.72 -0.33 0.00 0.00 177.00 177.51 2heq n HIS 30 N 4.86 -2.36 -1.26 6.54 8.25 -1.26 -4.86 115.22 125.14 2heq n HIS 30 Ca 0.17 0.92 0.08 0.00 -0.26 0.00 0.00 57.72 58.63 2heq n HIS 30 Cb 0.37 -4.12 0.12 0.00 1.12 0.00 0.00 29.99 27.49 2heq n HIS 30 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2heq n HIS 31 N -4.71 0.00 -3.18 4.41 8.25 -1.12 -5.06 115.22 113.80 2heq n HIS 31 Ca 0.03 -0.90 -0.20 0.00 -0.26 0.00 0.00 57.72 56.39 2heq n HIS 31 Cb 0.53 -0.14 0.04 0.00 1.12 0.00 0.00 29.99 31.54 2heq n HIS 31 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2heq s VAL 32 N -2.48 2.19 0.00 1.59 -7.23 -1.26 -4.67 120.40 108.54 2heq s VAL 32 Ca 0.28 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.36 2heq s VAL 32 Cb 0.25 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.91 2heq s VAL 32 CO 0.02 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.42 2heq n GLY 33 N -2.10 0.68 3.72 2.32 0.00 -0.94 -5.03 105.19 103.85 2heq n GLY 33 Ca 0.12 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 2heq n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2heq s ARG 34 N -0.94 3.23 -0.24 1.61 0.52 -1.26 -4.90 118.95 116.97 2heq s ARG 34 Ca 0.00 -0.33 -0.13 0.00 -0.52 0.00 0.00 55.73 54.75 2heq s ARG 34 Cb 0.00 -2.95 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 2heq s ARG 34 CO 0.00 0.66 0.27 0.15 0.02 0.00 0.00 175.30 176.40 2heq s LYS 35 N -0.75 4.07 0.35 3.54 1.02 -1.26 -0.18 119.74 126.53 2heq s LYS 35 Ca 0.12 -0.10 0.04 0.00 0.02 0.00 0.00 55.97 56.05 2heq s LYS 35 Cb -0.12 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.58 2heq s LYS 35 CO 0.02 -0.06 0.14 0.20 -0.92 0.00 0.00 175.35 174.74 2heq s GLY 36 N 1.26 2.30 -0.09 -3.33 0.00 0.70 -0.95 107.32 107.20 2heq s GLY 36 Ca 0.12 -1.60 0.01 0.00 0.00 0.00 0.00 44.72 43.25 2heq s GLY 36 CO 0.07 -1.70 -0.11 1.25 0.00 0.00 0.00 173.10 172.61 2heq s LYS 37 N -3.76 1.76 0.02 2.90 2.20 -0.27 -0.27 119.74 122.32 2heq s LYS 37 Ca 0.31 -0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 55.23 2heq s LYS 37 Cb 0.04 -1.58 -0.07 0.00 -1.51 0.00 0.00 37.83 34.71 2heq s LYS 37 CO 0.17 -0.09 1.65 0.42 -0.36 0.00 0.00 175.35 177.13 2heq s ILE 38 N 1.09 3.30 -0.17 5.43 1.01 -0.83 -0.57 121.20 130.45 2heq s ILE 38 Ca -0.06 0.59 0.02 0.00 0.00 0.00 0.00 60.65 61.20 2heq s ILE 38 Cb -0.14 -3.38 -0.00 0.00 0.01 0.00 0.00 42.46 38.94 2heq s ILE 38 CO -0.02 -0.02 0.29 2.30 0.00 0.00 0.00 174.94 177.49 2heq n ILE 39 N 5.05 0.00 -3.45 2.92 -5.35 0.09 -0.34 119.36 118.27 2heq n ILE 39 Ca 0.16 -0.47 -0.13 0.00 -0.27 0.00 0.00 62.75 62.04 2heq n ILE 39 Cb 0.42 1.02 -0.03 0.00 -1.74 0.00 0.00 39.64 39.31 2heq n ILE 39 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2heq s GLU 40 N -0.75 1.19 -0.10 6.28 2.56 -1.17 -4.96 118.70 121.75 2heq s GLU 40 Ca 0.02 -0.30 0.01 0.00 0.00 0.00 0.00 54.97 54.69 2heq s GLU 40 Cb 0.02 0.55 -0.02 0.00 2.00 0.00 0.00 34.13 36.67 2heq s GLU 40 CO 0.06 -0.49 -0.12 -1.01 -0.56 0.00 0.00 175.26 173.14 2heq s HIS 41 N -3.16 2.81 -0.20 5.30 3.76 -1.26 -1.69 115.29 120.85 2heq s HIS 41 Ca -0.01 -0.36 -0.08 0.00 -0.15 0.00 0.00 55.06 54.46 2heq s HIS 41 Cb -0.01 -1.77 -0.04 0.00 1.11 0.00 0.00 32.58 31.88 2heq s HIS 41 CO -0.08 0.01 0.08 -0.51 -0.85 0.00 0.00 174.74 173.40 2heq s LEU 42 N -0.16 3.83 -1.23 0.89 1.43 0.10 -4.94 118.68 118.60 2heq s LEU 42 Ca 0.00 0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 52.98 2heq s LEU 42 Cb -0.13 -1.99 0.10 0.00 0.03 0.00 0.00 46.19 44.19 2heq s LEU 42 CO 0.03 0.12 1.60 -1.38 0.23 0.00 0.00 176.35 176.95 2heq s HIS 43 N 0.68 2.96 0.37 0.29 -3.43 -1.26 -4.64 115.29 110.26 2heq s HIS 43 Ca 0.04 -1.66 -0.10 0.00 -0.80 0.00 0.00 55.06 52.54 2heq s HIS 43 Cb -0.13 -4.61 0.03 0.00 -1.43 0.00 0.00 32.58 26.44 2heq s HIS 43 CO 0.02 -1.70 0.66 0.45 -2.00 0.00 0.00 174.74 172.16 2heq s SER 44 N 3.92 0.40 0.00 7.38 0.15 -1.26 -5.03 113.70 119.26 2heq s SER 44 Ca 0.49 -1.29 0.00 0.00 0.70 0.00 0.00 55.95 55.85 2heq s SER 44 Cb 0.01 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 65.10 2heq s SER 44 CO 0.03 -1.52 0.48 0.00 1.20 0.00 0.00 173.24 173.42 2heq n ALA 45 N -0.55 2.40 -0.08 5.45 0.00 -1.26 -4.65 120.51 121.83 2heq n ALA 45 Ca -0.04 -0.48 -0.18 0.00 0.00 0.00 0.00 53.44 52.74 2heq n ALA 45 Cb 0.61 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.92 2heq n ALA 45 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2heq n THR 46 N -0.01 1.57 -3.99 0.00 -1.04 -1.26 -4.95 114.28 104.60 2heq n THR 46 Ca 0.00 -0.64 -0.15 0.00 -2.04 0.00 0.00 64.05 61.23 2heq n THR 46 Cb 0.01 -1.40 -0.15 0.00 -1.82 0.00 0.00 70.33 66.97 2heq n THR 46 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2heq s TYR 47 N -2.53 0.26 -0.20 -1.42 2.02 -1.26 -4.70 117.35 109.52 2heq s TYR 47 Ca -0.27 -0.03 -0.02 0.00 -0.37 0.00 0.00 57.07 56.37 2heq s TYR 47 Cb 0.08 -0.22 -0.21 0.00 -0.40 0.00 0.00 41.96 41.20 2heq s TYR 47 CO 0.68 -0.04 0.04 -0.25 -1.57 0.00 0.00 175.55 174.42 2heq n ASP 48 N 3.32 2.05 -4.21 2.29 8.00 0.03 -4.12 116.55 123.91 2heq n ASP 48 Ca -0.17 0.03 -0.16 0.00 0.71 0.00 0.00 54.79 55.20 2heq n ASP 48 Cb 0.57 -0.62 -0.11 0.00 -0.02 0.00 0.00 41.12 40.93 2heq n ASP 48 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2heq s TYR 49 N -2.54 1.24 -0.26 1.24 2.02 -0.47 -0.72 117.35 117.85 2heq s TYR 49 Ca -0.29 -0.59 -0.04 0.00 -0.37 0.00 0.00 57.07 55.78 2heq s TYR 49 Cb 0.08 -0.66 0.02 0.00 -0.40 0.00 0.00 41.96 41.00 2heq s TYR 49 CO 0.68 0.08 -0.01 0.00 -1.57 0.00 0.00 175.55 174.72 2heq s ALA 50 N -2.20 2.83 -0.11 3.71 0.00 -0.68 -1.35 121.76 123.96 2heq s ALA 50 Ca 0.07 -1.44 -0.02 0.00 0.00 0.00 0.00 51.96 50.56 2heq s ALA 50 Cb -0.04 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.20 2heq s ALA 50 CO 0.02 -0.82 -0.02 0.08 0.00 0.00 0.00 175.76 175.01 2heq s VAL 51 N 1.39 4.10 -0.49 0.00 1.01 0.62 -0.74 120.40 126.30 2heq s VAL 51 Ca 0.01 -0.31 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 2heq s VAL 51 Cb -0.17 -2.75 0.08 0.00 0.00 0.00 0.00 36.38 33.55 2heq s VAL 51 CO -0.02 0.56 0.44 -0.55 0.00 0.00 0.00 175.10 175.53 2heq s SER 52 N -0.38 6.16 0.90 3.32 0.15 0.26 -0.53 113.70 123.59 2heq s SER 52 Ca 0.07 -1.37 -0.12 0.00 0.70 0.00 0.00 55.95 55.23 2heq s SER 52 Cb -0.12 -2.20 0.13 0.00 -1.71 0.00 0.00 66.02 62.12 2heq s SER 52 CO 0.02 -0.72 1.09 -1.81 1.20 0.00 0.00 173.24 173.03 2heq s ASP 53 N 2.80 3.44 0.58 5.45 1.11 0.13 -1.11 116.67 129.06 2heq s ASP 53 Ca 0.05 1.40 0.34 0.00 0.18 0.00 0.00 52.55 54.52 2heq s ASP 53 Cb -0.25 -2.08 1.75 0.00 1.07 0.00 0.00 42.92 43.41 2heq s ASP 53 CO 0.07 -2.65 2.16 1.05 1.18 0.00 0.00 175.17 176.98 2heq h GLU 54 N -1.56 0.00 -0.00 8.23 4.11 -1.37 -0.97 114.58 123.02 2heq h GLU 54 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2heq h GLU 54 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2heq h GLU 54 CO 0.56 0.05 -0.09 0.25 0.07 0.00 0.00 179.01 179.85 2heq n THR 55 N -3.39 0.00 -0.36 -1.06 -2.24 -1.26 -4.88 114.28 101.09 2heq n THR 55 Ca -0.02 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2heq n THR 55 Cb 0.19 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 2heq n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2heq n GLY 56 N 1.31 0.80 3.77 3.38 0.00 -0.37 -5.06 105.19 109.02 2heq n GLY 56 Ca 0.13 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 2heq n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2heq s ASP 57 N -2.15 7.41 -0.73 1.61 1.11 -1.25 -4.82 116.67 117.85 2heq s ASP 57 Ca 0.00 1.80 -0.06 0.00 0.18 0.00 0.00 52.55 54.47 2heq s ASP 57 Cb 0.00 -2.56 0.19 0.00 1.07 0.00 0.00 42.92 41.62 2heq s ASP 57 CO 0.00 0.05 0.59 -0.63 1.18 0.00 0.00 175.17 176.36 2heq s ILE 58 N -1.41 4.35 -0.06 0.77 1.01 -1.26 0.21 121.20 124.82 2heq s ILE 58 Ca 0.45 -2.98 -0.02 0.00 0.00 0.00 0.00 60.65 58.10 2heq s ILE 58 Cb -0.21 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 2heq s ILE 58 CO 0.26 -0.95 0.03 -0.89 0.00 0.00 0.00 174.94 173.39 2heq s THR 59 N -0.22 4.53 -0.21 2.92 2.01 0.31 -4.88 115.64 120.09 2heq s THR 59 Ca 0.19 -0.27 -0.10 0.00 0.31 0.00 0.00 61.69 61.82 2heq s THR 59 Cb -0.16 -2.96 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 2heq s THR 59 CO -0.06 0.53 0.13 -0.31 -0.69 0.00 0.00 174.62 174.22 2heq s TYR 60 N -0.99 3.34 0.34 4.92 2.02 -1.26 -0.27 117.35 125.44 2heq s TYR 60 Ca 0.16 0.22 0.04 0.00 -0.37 0.00 0.00 57.07 57.13 2heq s TYR 60 Cb -0.12 -2.19 -0.03 0.00 -0.40 0.00 0.00 41.96 39.22 2heq s TYR 60 CO 0.06 0.16 0.16 -0.06 -1.57 0.00 0.00 175.55 174.29 2heq s PHE 61 N 0.68 1.70 0.48 2.71 0.08 -0.46 -4.99 117.98 118.17 2heq s PHE 61 Ca 0.07 -1.35 0.08 0.00 0.12 0.00 0.00 56.93 55.85 2heq s PHE 61 Cb -0.12 -0.96 0.02 0.00 -0.57 0.00 0.00 43.02 41.39 2heq s PHE 61 CO 0.01 -0.46 0.54 0.15 -0.10 0.00 0.00 175.22 175.36 2heq s LYS 62 N -3.75 2.50 0.28 0.44 1.02 -1.26 -0.79 119.74 118.19 2heq s LYS 62 Ca 0.33 -1.57 0.03 0.00 0.02 0.00 0.00 55.97 54.77 2heq s LYS 62 Cb 0.04 -2.50 0.68 0.00 -0.52 0.00 0.00 37.83 35.53 2heq s LYS 62 CO 0.18 -0.46 1.72 1.05 -0.92 0.00 0.00 175.35 176.92 2heq h GLU 63 N 0.66 0.47 -0.11 1.68 4.11 -1.95 -1.74 114.58 117.70 2heq h GLU 63 Ca -0.37 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.03 2heq h GLU 63 Cb 1.28 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2heq h GLU 63 CO 0.50 0.31 0.00 0.72 0.07 0.00 0.00 179.01 180.61 2heq n HIS 64 N -4.98 0.13 1.31 2.06 8.25 -1.26 -3.50 115.22 117.24 2heq n HIS 64 Ca 0.21 -0.06 0.13 0.00 -0.26 0.00 0.00 57.72 57.74 2heq n HIS 64 Cb 0.59 0.00 0.37 0.00 1.12 0.00 0.00 29.99 32.07 2heq n HIS 64 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2heq n GLU 65 N 0.80 1.77 -4.55 -0.41 4.71 -0.66 -4.84 120.64 117.47 2heq n GLU 65 Ca 0.17 -1.21 -0.28 0.00 -0.01 0.00 0.00 57.16 55.83 2heq n GLU 65 Cb 0.47 -1.47 -0.17 0.00 -1.01 0.00 0.00 31.44 29.26 2heq n GLU 65 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2heq s LEU 66 N -2.06 1.71 -0.26 -4.62 1.43 -1.23 -3.72 118.68 109.93 2heq s LEU 66 Ca 0.33 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 2heq s LEU 66 Cb 0.20 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.39 2heq s LEU 66 CO 0.35 0.03 0.03 -0.89 0.23 0.00 0.00 176.35 176.10 2heq s THR 67 N 0.86 3.71 0.15 5.49 2.01 -0.73 -4.95 115.64 122.19 2heq s THR 67 Ca -0.10 -0.62 -0.31 0.00 0.31 0.00 0.00 61.69 60.97 2heq s THR 67 Cb -0.15 -2.83 -0.10 0.00 0.01 0.00 0.00 72.50 69.43 2heq s THR 67 CO 0.01 0.22 1.54 -2.84 -0.69 0.00 0.00 174.62 172.86 2heq s PRO 68 N 1.49 4.23 -0.89 4.92 0.02 -1.26 -0.16 135.00 143.34 2heq s PRO 68 Ca 0.04 2.31 -0.25 0.00 0.02 0.00 0.00 61.00 63.12 2heq s PRO 68 Cb -0.16 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.16 2heq s PRO 68 CO 0.00 -0.59 1.68 -0.51 -0.33 0.00 0.00 177.00 177.25 2heq s LEU 69 N 1.24 3.30 0.00 -5.54 1.43 0.19 -4.86 118.68 114.44 2heq s LEU 69 Ca 0.69 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 2heq s LEU 69 Cb -0.42 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.24 2heq s LEU 69 CO 0.31 -2.15 0.39 0.29 0.23 0.00 0.00 176.35 175.42 2heq n LYS 70 N 8.97 0.00 -0.61 1.70 5.02 -1.26 -4.24 118.16 127.74 2heq n LYS 70 Ca 0.31 0.13 0.08 0.00 -2.02 0.00 0.00 58.31 56.81 2heq n LYS 70 Cb 0.49 -0.94 0.33 0.00 -0.02 0.00 0.00 35.03 34.89 2heq n LYS 70 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2heq n GLY 71 N 0.50 3.08 5.52 0.72 0.00 -1.26 -4.99 105.19 108.77 2heq n GLY 71 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2heq n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2heq n GLY 72 N 0.61 2.36 2.59 -0.02 0.00 -1.26 -4.74 105.19 104.72 2heq n GLY 72 Ca 0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.22 2heq n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2heq n LEU 73 N 0.00 0.31 -4.54 0.99 4.77 -1.26 -4.90 117.00 112.37 2heq n LEU 73 Ca 0.00 0.07 -0.43 0.00 -0.03 0.00 0.00 56.01 55.62 2heq n LEU 73 Cb 0.00 -1.82 0.00 0.00 -2.33 0.00 0.00 43.42 39.27 2heq n LEU 73 CO 0.00 -0.65 1.99 0.00 -1.33 0.00 0.00 177.39 177.40 2heq n ALA 74 N 1.05 3.65 0.00 -1.18 0.00 -1.26 -3.49 120.51 119.27 2heq n ALA 74 Ca -0.03 -3.87 0.00 0.00 0.00 0.00 0.00 53.44 49.55 2heq n ALA 74 Cb 0.34 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.21 2heq n ALA 74 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2heq n TYR 75 N 8.19 -0.01 -3.96 0.00 9.36 -1.26 -5.11 117.16 124.37 2heq n TYR 75 Ca 0.49 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 61.35 2heq n TYR 75 Cb 0.46 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 39.04 2heq n TYR 75 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2heq s VAL 76 N -1.01 3.92 0.00 2.97 1.01 -1.23 -5.01 120.40 121.06 2heq s VAL 76 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2heq s VAL 76 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.59 2heq s VAL 76 CO 0.00 0.40 0.00 0.18 0.00 0.00 0.00 175.10 175.68 2heq n LEU 77 N 4.53 0.22 -3.61 3.92 4.32 -1.26 -4.91 117.00 120.21 2heq n LEU 77 Ca -0.17 0.04 -0.28 0.00 -0.02 0.00 0.00 56.01 55.58 2heq n LEU 77 Cb 0.51 -0.27 -0.12 0.00 -1.62 0.00 0.00 43.42 41.93 2heq n LEU 77 CO 0.31 -0.27 -0.24 -1.83 -1.22 0.00 0.00 177.39 174.14 2heq s GLU 78 N -0.54 1.31 -0.23 3.23 4.04 -1.26 -5.07 118.70 120.18 2heq s GLU 78 Ca 0.00 -2.24 0.02 0.00 0.04 0.00 0.00 54.97 52.79 2heq s GLU 78 Cb 0.00 -2.11 0.05 0.00 0.02 0.00 0.00 34.13 32.09 2heq s GLU 78 CO 0.00 -1.27 -0.13 -1.58 -1.84 0.00 0.00 175.26 170.44 2heq s HIS 79 N -0.04 2.99 0.07 4.83 2.46 -1.26 -5.03 115.29 119.31 2heq s HIS 79 Ca 0.24 -2.04 -0.29 0.00 0.47 0.00 0.00 55.06 53.45 2heq s HIS 79 Cb -0.10 -1.87 -0.17 0.00 -0.13 0.00 0.00 32.58 30.31 2heq s HIS 79 CO -0.10 -0.84 1.59 1.25 -2.47 0.00 0.00 174.74 174.17 2heq h HIS 80 N 7.85 -0.51 -5.13 3.88 2.76 -2.04 -3.48 115.15 118.47 2heq h HIS 80 Ca -0.26 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.90 2heq h HIS 80 Cb 1.07 0.17 0.00 0.00 1.55 0.00 0.00 27.41 30.20 2heq h HIS 80 CO 0.58 -0.28 -0.85 1.58 -1.30 0.00 0.00 177.93 177.66 2heq n HIS 81 N -5.30 -3.81 -3.54 5.26 -0.00 -1.26 -5.01 115.22 101.56 2heq n HIS 81 Ca -0.11 1.65 -0.27 0.00 -0.00 0.00 0.00 57.72 58.99 2heq n HIS 81 Cb 0.25 -4.00 -0.10 0.00 -0.00 0.00 0.00 29.99 26.13 2heq n HIS 81 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2heq n HIS 82 N 0.43 0.60 0.00 1.57 -0.00 -1.26 -4.90 115.22 111.66 2heq n HIS 82 Ca 0.03 -3.67 0.00 0.00 -0.00 0.00 0.00 57.72 54.08 2heq n HIS 82 Cb 0.12 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 30.02 2heq n HIS 82 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2heq n HIS 83 N 2.37 0.00 -0.96 1.57 8.25 -1.26 -5.36 115.22 119.84 2heq n HIS 83 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 2heq n HIS 83 Cb 0.44 0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.88 2heq n HIS 83 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59