#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 2.83 0.00 3.04 0.00 -1.26 -5.12 121.76 121.26 2heq s ALA 2 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.78 2heq s ALA 2 Cb 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.23 2heq s ALA 2 CO 0.00 0.61 0.00 0.41 0.00 0.00 0.00 175.76 176.78 2heq n GLY 3 N 1.21 1.70 3.20 0.00 0.00 -1.26 -5.06 105.19 104.99 2heq n GLY 3 Ca -0.15 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 2heq n GLY 3 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2heq s ASP 4 N -0.30 5.61 0.47 1.61 -4.77 -1.26 -5.08 116.67 112.94 2heq s ASP 4 Ca 0.00 -1.89 -0.03 0.00 -3.30 0.00 0.00 52.55 47.34 2heq s ASP 4 Cb 0.00 -1.97 -0.02 0.00 -1.09 0.00 0.00 42.92 39.84 2heq s ASP 4 CO 0.00 -0.65 0.73 -2.16 0.70 0.00 0.00 175.17 173.79 2heq s PRO 5 N 1.33 3.27 -0.34 2.11 0.04 -1.26 -5.08 135.00 135.06 2heq s PRO 5 Ca 0.06 -0.14 -0.02 0.00 0.04 0.00 0.00 61.00 60.94 2heq s PRO 5 Cb -0.25 -2.46 0.08 0.00 0.04 0.00 0.00 34.50 31.90 2heq s PRO 5 CO -0.01 -0.26 0.08 -0.51 0.04 0.00 0.00 177.00 176.34 2heq s LEU 6 N -4.66 4.46 -0.88 -3.56 1.43 -1.26 -5.06 118.68 109.16 2heq s LEU 6 Ca 0.48 -1.61 -0.21 0.00 -1.03 0.00 0.00 54.13 51.76 2heq s LEU 6 Cb -0.10 -1.75 0.10 0.00 0.03 0.00 0.00 46.19 44.47 2heq s LEU 6 CO 0.41 -0.37 1.16 -2.16 0.23 0.00 0.00 176.35 175.62 2heq s PRO 7 N 1.19 3.48 -1.14 1.29 0.05 -1.26 -4.95 135.00 133.65 2heq s PRO 7 Ca 0.01 -1.38 -0.14 0.00 0.05 0.00 0.00 61.00 59.54 2heq s PRO 7 Cb -0.21 -4.83 0.18 0.00 0.05 0.00 0.00 34.50 29.69 2heq s PRO 7 CO -0.03 -1.88 1.33 0.15 0.05 0.00 0.00 177.00 176.62 2heq s LYS 8 N 3.55 4.01 0.00 4.56 -0.14 -1.26 -4.77 119.74 125.68 2heq s LYS 8 Ca 0.33 -2.51 0.00 0.00 -1.36 0.00 0.00 55.97 52.43 2heq s LYS 8 Cb -0.07 -4.97 0.00 0.00 -1.68 0.00 0.00 37.83 31.12 2heq s LYS 8 CO -0.04 -1.70 0.00 0.66 -0.76 0.00 0.00 175.35 173.51 2heq n TYR 9 N 5.43 0.00 -2.40 3.18 4.01 -1.26 -5.02 117.16 121.09 2heq n TYR 9 Ca 0.32 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.69 2heq n TYR 9 Cb 0.44 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.44 2heq n TYR 9 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2heq s TRP 10 N 2.45 2.40 -0.88 -0.72 0.51 -1.26 -4.73 118.94 116.70 2heq s TRP 10 Ca 0.00 -0.64 0.28 0.00 -2.12 0.00 0.00 56.10 53.62 2heq s TRP 10 Cb 0.00 -4.50 1.05 0.00 -0.81 0.00 0.00 33.47 29.21 2heq s TRP 10 CO 0.00 -1.75 1.86 0.43 -0.51 0.00 0.00 176.95 176.99 2heq n SER 11 N 10.47 0.36 -4.20 2.95 7.64 -1.26 -4.47 113.62 125.11 2heq n SER 11 Ca 0.41 0.53 -0.39 0.00 1.01 0.00 0.00 58.87 60.43 2heq n SER 11 Cb 0.48 -0.63 -0.10 0.00 -1.01 0.00 0.00 64.21 62.95 2heq n SER 11 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2heq s TYR 12 N -3.04 3.45 0.80 1.43 2.02 -1.26 -5.09 117.35 115.66 2heq s TYR 12 Ca 0.13 -1.95 -0.10 0.00 -0.37 0.00 0.00 57.07 54.77 2heq s TYR 12 Cb 0.16 -3.28 0.08 0.00 -0.40 0.00 0.00 41.96 38.52 2heq s TYR 12 CO 0.56 -0.95 1.11 -2.14 -1.57 0.00 0.00 175.55 172.55 2heq s PRO 13 N 1.31 1.97 0.16 -1.71 0.02 -1.26 -4.98 135.00 130.52 2heq s PRO 13 Ca 0.06 1.26 -0.30 0.00 0.02 0.00 0.00 61.00 62.04 2heq s PRO 13 Cb -0.24 -1.86 -0.08 0.00 0.02 0.00 0.00 34.50 32.34 2heq s PRO 13 CO -0.01 -1.87 1.23 0.08 -0.33 0.00 0.00 177.00 176.09 2heq s VAL 14 N -2.83 3.57 0.00 3.83 1.01 -1.26 -2.74 120.40 121.98 2heq s VAL 14 Ca 0.63 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.88 2heq s VAL 14 Cb -0.19 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2heq s VAL 14 CO 0.56 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.45 2heq n GLY 15 N 2.45 0.30 3.72 4.51 0.00 0.43 -5.01 105.19 111.59 2heq n GLY 15 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 4.43 -0.14 0.99 2.96 -1.11 -4.85 118.68 120.97 2heq s LEU 16 Ca 0.00 1.91 -0.27 0.00 -0.22 0.00 0.00 54.13 55.55 2heq s LEU 16 Cb 0.00 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.09 2heq s LEU 16 CO 0.00 -0.26 0.90 0.00 -1.32 0.00 0.00 176.35 175.67 2heq s ALA 17 N 0.43 3.47 0.06 5.97 0.00 -1.26 -2.23 121.76 128.21 2heq s ALA 17 Ca 0.52 0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.67 2heq s ALA 17 Cb -0.26 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 2heq s ALA 17 CO 0.31 -0.62 -0.06 0.14 0.00 0.00 0.00 175.76 175.52 2heq s VAL 18 N 2.07 0.52 0.21 0.00 -7.23 -0.58 -1.63 120.40 113.76 2heq s VAL 18 Ca 0.42 -1.42 0.08 0.00 -1.81 0.00 0.00 61.98 59.25 2heq s VAL 18 Cb -0.17 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 2heq s VAL 18 CO 0.14 -0.61 0.04 -1.83 -0.31 0.00 0.00 175.10 172.53 2heq s GLU 19 N -2.54 2.52 -0.04 4.82 -1.05 0.64 -0.81 118.70 122.25 2heq s GLU 19 Ca -0.02 -1.14 -0.30 0.00 -0.15 0.00 0.00 54.97 53.36 2heq s GLU 19 Cb -0.03 -2.38 -0.03 0.00 -0.44 0.00 0.00 34.13 31.25 2heq s GLU 19 CO -0.02 0.43 1.16 0.42 0.95 0.00 0.00 175.26 178.20 2heq s ILE 20 N -1.93 4.32 0.81 1.83 1.09 0.18 -0.48 121.20 127.01 2heq s ILE 20 Ca 0.30 1.64 -0.11 0.00 -1.10 0.00 0.00 60.65 61.38 2heq s ILE 20 Cb -0.08 -4.06 0.10 0.00 -1.06 0.00 0.00 42.46 37.36 2heq s ILE 20 CO 0.20 0.03 1.16 0.21 -0.10 0.00 0.00 174.94 176.45 2heq s ASN 21 N 1.33 4.34 -0.01 3.58 3.84 0.02 -2.33 114.94 125.72 2heq s ASN 21 Ca 0.55 0.59 0.00 0.00 0.21 0.00 0.00 52.86 54.22 2heq s ASN 21 Cb -0.25 -1.04 0.02 0.00 -0.55 0.00 0.00 41.25 39.43 2heq s ASN 21 CO 0.23 -1.97 0.74 0.59 -2.79 0.00 0.00 177.10 173.90 2heq n ASN 22 N -3.29 1.93 -0.00 -4.21 3.02 -1.26 -2.68 115.26 108.77 2heq n ASN 22 Ca 0.09 -2.03 0.02 0.00 -0.03 0.00 0.00 54.58 52.64 2heq n ASN 22 Cb 0.61 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 39.24 2heq n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2heq n ASN 23 N 0.21 0.48 -0.90 6.41 4.13 -1.26 -4.53 115.26 119.80 2heq n ASN 23 Ca 0.01 -0.58 0.09 0.00 1.68 0.00 0.00 54.58 55.77 2heq n ASN 23 Cb 0.38 1.02 0.24 0.00 -1.54 0.00 0.00 39.78 39.87 2heq n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2heq n ALA 24 N -1.16 2.43 0.09 5.41 0.00 -1.09 -4.07 120.51 122.12 2heq n ALA 24 Ca 0.01 -0.85 -0.03 0.00 0.00 0.00 0.00 53.44 52.57 2heq n ALA 24 Cb 0.09 -0.97 0.19 0.00 0.00 0.00 0.00 19.45 18.76 2heq n ALA 24 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2heq h ARG 25 N 2.95 0.23 0.00 0.00 1.12 -1.80 0.23 114.38 117.12 2heq h ARG 25 Ca 0.00 -0.13 -0.12 0.00 -1.11 0.00 0.00 59.98 58.62 2heq h ARG 25 Cb 0.67 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.62 2heq h ARG 25 CO 0.00 0.66 -0.58 -0.92 -3.11 0.00 0.00 179.97 176.02 2heq h TYR 26 N 0.19 0.00 0.15 2.20 3.20 -1.93 -2.23 116.97 118.55 2heq h TYR 26 Ca 0.01 0.00 -0.35 0.00 3.14 0.00 0.00 58.73 61.53 2heq h TYR 26 Cb 0.91 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 2heq h TYR 26 CO 0.02 0.58 -1.83 0.78 -1.64 0.00 0.00 178.16 176.07 2heq h GLY 27 N 2.39 0.35 -6.39 1.82 0.00 -1.73 -3.44 103.07 96.08 2heq h GLY 27 Ca -0.01 -0.91 -0.40 0.00 0.00 0.00 0.00 47.33 46.02 2heq h GLY 27 CO 0.08 0.79 -0.71 0.00 0.00 0.00 0.00 176.54 176.70 2heq s PRO 29 N 1.41 3.56 -1.31 0.00 0.04 -0.84 -3.01 135.00 134.85 2heq s PRO 29 Ca 0.17 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2heq s PRO 29 Cb -0.16 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.10 2heq s PRO 29 CO -0.04 -0.72 0.00 1.58 0.04 0.00 0.00 177.00 177.86 2heq n HIS 30 N -0.78 -0.46 -0.48 0.56 -0.00 -1.26 -4.83 115.22 107.97 2heq n HIS 30 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 2heq n HIS 30 Cb 0.48 -2.86 0.00 0.00 -0.00 0.00 0.00 29.99 27.61 2heq n HIS 30 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2heq n HIS 31 N -3.55 0.00 -2.90 1.57 -0.00 -1.16 -5.06 115.22 104.11 2heq n HIS 31 Ca -0.16 -0.26 -0.39 0.00 -0.00 0.00 0.00 57.72 56.91 2heq n HIS 31 Cb 0.58 -0.03 -0.06 0.00 -0.00 0.00 0.00 29.99 30.48 2heq n HIS 31 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2heq s VAL 32 N -0.52 4.26 0.00 3.57 1.01 -1.26 -3.54 120.40 123.93 2heq s VAL 32 Ca 0.00 1.83 0.00 0.00 0.00 0.00 0.00 61.98 63.81 2heq s VAL 32 Cb 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.20 2heq s VAL 32 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.19 2heq n GLY 33 N 1.46 0.75 3.83 4.51 0.00 -0.98 -5.03 105.19 109.73 2heq n GLY 33 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.50 1.86 -0.02 1.61 1.81 -1.23 -4.76 118.95 117.72 2heq s ARG 34 Ca 0.00 0.39 0.07 0.00 -1.72 0.00 0.00 55.73 54.47 2heq s ARG 34 Cb 0.00 -1.91 -0.02 0.00 -0.45 0.00 0.00 34.95 32.56 2heq s ARG 34 CO 0.00 -1.72 -0.24 0.15 -0.68 0.00 0.00 175.30 172.81 2heq s LYS 35 N -5.31 2.15 0.18 3.54 -0.14 -1.26 -0.64 119.74 118.26 2heq s LYS 35 Ca 0.62 -0.90 -0.05 0.00 -1.36 0.00 0.00 55.97 54.27 2heq s LYS 35 Cb -0.13 -2.10 0.02 0.00 -1.68 0.00 0.00 37.83 33.94 2heq s LYS 35 CO 0.52 0.57 0.32 0.41 -0.76 0.00 0.00 175.35 176.42 2heq n GLY 36 N 2.33 1.92 2.84 -3.33 0.00 0.01 -2.15 105.19 106.81 2heq n GLY 36 Ca -0.16 -1.26 -0.15 0.00 0.00 0.00 0.00 46.02 44.45 2heq n GLY 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2heq s LYS 37 N -2.16 0.18 -0.10 1.61 2.20 -0.66 -1.52 119.74 119.29 2heq s LYS 37 Ca 0.10 0.05 -0.30 0.00 -0.36 0.00 0.00 55.97 55.46 2heq s LYS 37 Cb -0.02 -0.31 -0.03 0.00 -1.51 0.00 0.00 37.83 35.96 2heq s LYS 37 CO 0.07 -0.08 1.36 0.42 -0.36 0.00 0.00 175.35 176.77 2heq s ILE 38 N 0.64 4.02 -0.03 5.43 1.01 -0.94 -0.66 121.20 130.66 2heq s ILE 38 Ca -0.06 1.28 0.10 0.00 0.00 0.00 0.00 60.65 61.98 2heq s ILE 38 Cb -0.09 -3.83 -0.16 0.00 0.01 0.00 0.00 42.46 38.40 2heq s ILE 38 CO -0.01 -0.08 0.20 2.30 0.00 0.00 0.00 174.94 177.34 2heq n ILE 39 N 5.16 0.12 -3.82 2.92 -5.35 0.64 -0.43 119.36 118.59 2heq n ILE 39 Ca 0.14 -0.27 -0.12 0.00 -0.27 0.00 0.00 62.75 62.23 2heq n ILE 39 Cb 0.44 0.09 -0.10 0.00 -1.74 0.00 0.00 39.64 38.33 2heq n ILE 39 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2heq s GLU 40 N -2.64 0.51 -0.22 6.28 0.41 -1.18 -4.89 118.70 116.97 2heq s GLU 40 Ca -0.04 -0.22 -0.09 0.00 -0.41 0.00 0.00 54.97 54.21 2heq s GLU 40 Cb 0.06 0.22 -0.04 0.00 -1.78 0.00 0.00 34.13 32.59 2heq s GLU 40 CO 0.43 -0.12 0.12 -1.01 -0.49 0.00 0.00 175.26 174.18 2heq s HIS 41 N -1.14 3.28 0.06 1.61 3.76 -1.26 -1.42 115.29 120.17 2heq s HIS 41 Ca -0.12 0.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.90 2heq s HIS 41 Cb -0.06 -2.21 0.01 0.00 1.11 0.00 0.00 32.58 31.44 2heq s HIS 41 CO 0.02 0.05 0.08 1.28 -0.85 0.00 0.00 174.74 175.32 2heq n LEU 42 N 4.11 0.00 -2.72 0.89 4.77 0.27 -4.97 117.00 119.35 2heq n LEU 42 Ca -0.16 -0.18 -0.05 0.00 -0.03 0.00 0.00 56.01 55.60 2heq n LEU 42 Cb 0.52 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.60 2heq n LEU 42 CO 0.35 -0.54 -0.01 1.41 -1.33 0.00 0.00 177.39 177.27 2heq n HIS 43 N -1.42 1.42 -4.33 -1.77 8.25 -1.26 -4.90 115.22 111.21 2heq n HIS 43 Ca 0.01 -2.31 -0.23 0.00 -0.26 0.00 0.00 57.72 54.93 2heq n HIS 43 Cb 0.05 -0.27 -0.08 0.00 1.12 0.00 0.00 29.99 30.81 2heq n HIS 43 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2heq s SER 44 N -3.64 4.33 0.00 0.41 0.15 -1.26 -5.03 113.70 108.67 2heq s SER 44 Ca 0.30 -0.74 0.19 0.00 0.70 0.00 0.00 55.95 56.40 2heq s SER 44 Cb 0.36 -0.72 -0.20 0.00 -1.71 0.00 0.00 66.02 63.75 2heq s SER 44 CO -0.02 -0.00 0.84 0.00 1.20 0.00 0.00 173.24 175.26 2heq n ALA 45 N -0.84 4.48 -0.11 5.45 0.00 -1.26 -4.30 120.51 123.93 2heq n ALA 45 Ca -0.06 -0.56 -0.23 0.00 0.00 0.00 0.00 53.44 52.60 2heq n ALA 45 Cb 0.59 -0.71 -0.10 0.00 0.00 0.00 0.00 19.45 19.24 2heq n ALA 45 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2heq n THR 46 N -1.37 1.52 -3.68 0.00 -2.24 -1.26 -4.95 114.28 102.30 2heq n THR 46 Ca 0.04 -0.13 -0.16 0.00 -2.27 0.00 0.00 64.05 61.53 2heq n THR 46 Cb 0.31 -2.03 -0.15 0.00 -2.10 0.00 0.00 70.33 66.36 2heq n THR 46 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2heq s TYR 47 N -2.44 -0.21 -0.36 4.78 2.02 -1.26 -4.58 117.35 115.30 2heq s TYR 47 Ca -0.32 0.65 0.03 0.00 -0.37 0.00 0.00 57.07 57.07 2heq s TYR 47 Cb 0.09 -0.21 0.04 0.00 -0.40 0.00 0.00 41.96 41.49 2heq s TYR 47 CO 0.51 -0.27 0.74 -3.47 -1.57 0.00 0.00 175.55 171.50 2heq n ASP 48 N 5.19 1.57 -4.12 2.29 2.03 -0.28 -4.24 116.55 118.99 2heq n ASP 48 Ca -0.07 -1.39 -0.20 0.00 0.52 0.00 0.00 54.79 53.64 2heq n ASP 48 Cb 0.50 -0.02 -0.14 0.00 -0.72 0.00 0.00 41.12 40.74 2heq n ASP 48 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2heq s TYR 49 N -0.49 1.18 -0.29 -0.67 1.51 -0.07 -0.56 117.35 117.96 2heq s TYR 49 Ca 0.05 -0.31 -0.07 0.00 -1.01 0.00 0.00 57.07 55.73 2heq s TYR 49 Cb 0.03 -0.72 0.01 0.00 -0.11 0.00 0.00 41.96 41.17 2heq s TYR 49 CO 0.04 0.01 0.07 0.00 -1.11 0.00 0.00 175.55 174.57 2heq s ALA 50 N -0.67 3.05 -0.14 3.71 0.00 -0.51 -0.13 121.76 127.07 2heq s ALA 50 Ca 0.02 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.53 2heq s ALA 50 Cb -0.07 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.92 2heq s ALA 50 CO 0.01 -0.92 -0.15 0.08 0.00 0.00 0.00 175.76 174.78 2heq s VAL 51 N 1.49 2.83 -0.41 0.00 1.01 0.70 -0.26 120.40 125.76 2heq s VAL 51 Ca 0.02 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 2heq s VAL 51 Cb -0.17 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.04 2heq s VAL 51 CO 0.02 0.52 0.64 -0.94 0.00 0.00 0.00 175.10 175.34 2heq s SER 52 N 0.56 6.36 0.69 3.32 1.04 0.16 -0.89 113.70 124.94 2heq s SER 52 Ca -0.09 -0.16 -0.14 0.00 0.48 0.00 0.00 55.95 56.04 2heq s SER 52 Cb -0.16 -2.32 0.02 0.00 0.10 0.00 0.00 66.02 63.66 2heq s SER 52 CO 0.04 -0.70 1.11 -0.62 0.98 0.00 0.00 173.24 174.04 2heq s ASP 53 N 1.92 4.93 0.01 7.02 -1.08 0.99 -1.66 116.67 128.81 2heq s ASP 53 Ca 0.23 1.95 0.10 0.00 -0.52 0.00 0.00 52.55 54.32 2heq s ASP 53 Cb -0.14 -2.54 0.43 0.00 -1.46 0.00 0.00 42.92 39.20 2heq s ASP 53 CO 0.17 -1.75 1.32 -0.62 0.52 0.00 0.00 175.17 174.81 2heq n GLU 54 N -2.72 0.01 0.00 4.34 1.02 -0.91 0.12 120.64 122.49 2heq n GLU 54 Ca 0.10 0.34 0.14 0.00 -0.02 0.00 0.00 57.16 57.72 2heq n GLU 54 Cb 0.52 -1.51 0.72 0.00 -0.02 0.00 0.00 31.44 31.14 2heq n GLU 54 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2heq n THR 55 N -1.53 0.07 -0.65 2.62 -2.24 -1.26 -4.89 114.28 106.40 2heq n THR 55 Ca 0.02 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2heq n THR 55 Cb 0.11 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 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 1.14 0.63 3.83 3.38 0.00 0.12 -5.05 105.19 109.24 2heq n GLY 56 Ca 0.13 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 2heq n GLY 56 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2heq s ASP 57 N -2.39 6.41 -0.49 1.61 2.15 -1.22 -4.87 116.67 117.87 2heq s ASP 57 Ca 0.00 0.48 -0.17 0.00 0.43 0.00 0.00 52.55 53.30 2heq s ASP 57 Cb 0.00 -2.11 0.07 0.00 -0.30 0.00 0.00 42.92 40.59 2heq s ASP 57 CO 0.00 0.32 0.48 -0.63 -0.17 0.00 0.00 175.17 175.17 2heq s ILE 58 N -0.61 5.12 0.09 4.11 1.01 -1.26 -0.01 121.20 129.64 2heq s ILE 58 Ca 0.15 -0.91 0.07 0.00 0.00 0.00 0.00 60.65 59.96 2heq s ILE 58 Cb -0.12 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 2heq s ILE 58 CO 0.04 -0.67 -0.13 -0.89 0.00 0.00 0.00 174.94 173.29 2heq s THR 59 N 1.96 3.17 -0.18 2.92 2.01 -0.07 -4.93 115.64 120.52 2heq s THR 59 Ca 0.07 -1.27 -0.13 0.00 0.31 0.00 0.00 61.69 60.68 2heq s THR 59 Cb -0.23 -2.45 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 2heq s THR 59 CO 0.08 0.17 0.24 -0.31 -0.69 0.00 0.00 174.62 174.10 2heq s TYR 60 N -1.13 3.44 0.34 4.92 2.02 -1.26 -0.22 117.35 125.46 2heq s TYR 60 Ca 0.19 0.50 0.04 0.00 -0.37 0.00 0.00 57.07 57.43 2heq s TYR 60 Cb -0.11 -2.28 -0.06 0.00 -0.40 0.00 0.00 41.96 39.11 2heq s TYR 60 CO 0.11 0.25 0.07 -0.06 -1.57 0.00 0.00 175.55 174.35 2heq s PHE 61 N 0.44 1.92 0.29 2.71 0.08 0.81 -4.95 117.98 119.30 2heq s PHE 61 Ca 0.14 -1.01 0.07 0.00 0.12 0.00 0.00 56.93 56.24 2heq s PHE 61 Cb -0.12 -1.26 -0.03 0.00 -0.57 0.00 0.00 43.02 41.04 2heq s PHE 61 CO 0.02 -0.04 0.30 0.21 -0.10 0.00 0.00 175.22 175.60 2heq s LYS 62 N -3.87 2.96 0.43 0.44 2.20 -1.26 -0.89 119.74 119.75 2heq s LYS 62 Ca 0.34 -1.09 0.09 0.00 -0.36 0.00 0.00 55.97 54.96 2heq s LYS 62 Cb 0.08 -2.62 0.94 0.00 -1.51 0.00 0.00 37.83 34.72 2heq s LYS 62 CO 0.15 0.24 2.07 1.05 -0.36 0.00 0.00 175.35 178.50 2heq h GLU 63 N 1.26 0.44 0.00 4.03 4.11 -1.94 -0.88 114.58 121.59 2heq h GLU 63 Ca -0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2heq h GLU 63 Cb 1.25 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2heq h GLU 63 CO 0.59 0.29 -0.64 1.58 0.07 0.00 0.00 179.01 180.89 2heq n HIS 64 N -4.48 0.22 1.11 2.06 -0.00 -1.26 -3.64 115.22 109.23 2heq n HIS 64 Ca 0.03 0.07 0.04 0.00 0.46 0.00 0.00 57.72 58.31 2heq n HIS 64 Cb 0.09 -0.41 0.12 0.00 -0.12 0.00 0.00 29.99 29.67 2heq n HIS 64 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2heq n GLU 65 N -1.78 1.66 -4.16 1.57 4.71 -0.34 -4.81 120.64 117.49 2heq n GLU 65 Ca 0.04 -0.94 -0.16 0.00 -0.01 0.00 0.00 57.16 56.09 2heq n GLU 65 Cb 0.39 -1.25 -0.11 0.00 -1.01 0.00 0.00 31.44 29.46 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 -1.00 2.33 -0.10 -4.62 1.43 -1.19 -0.80 118.68 114.73 2heq s LEU 66 Ca 0.17 -0.69 -0.01 0.00 -1.03 0.00 0.00 54.13 52.58 2heq s LEU 66 Cb 0.09 -0.39 0.02 0.00 0.03 0.00 0.00 46.19 45.95 2heq s LEU 66 CO 0.11 -0.16 -0.06 -0.89 0.23 0.00 0.00 176.35 175.58 2heq s THR 67 N -1.74 0.87 0.27 5.49 2.01 0.37 -4.76 115.64 118.14 2heq s THR 67 Ca 0.00 -0.20 -0.29 0.00 0.31 0.00 0.00 61.69 61.51 2heq s THR 67 Cb -0.07 -0.92 -0.10 0.00 0.01 0.00 0.00 72.50 71.42 2heq s THR 67 CO 0.01 0.34 1.28 -2.16 -0.69 0.00 0.00 174.62 173.40 2heq s PRO 68 N 1.72 4.41 -1.07 4.92 0.04 -1.26 -0.26 135.00 143.49 2heq s PRO 68 Ca 0.04 2.10 -0.17 0.00 0.04 0.00 0.00 61.00 63.00 2heq s PRO 68 Cb -0.13 -3.13 0.13 0.00 0.04 0.00 0.00 34.50 31.41 2heq s PRO 68 CO -0.07 -0.15 1.32 -0.51 0.04 0.00 0.00 177.00 177.63 2heq s LEU 69 N -1.10 4.82 0.00 -3.56 1.43 -0.65 -4.68 118.68 114.96 2heq s LEU 69 Ca 0.51 -2.39 0.00 0.00 -1.03 0.00 0.00 54.13 51.22 2heq s LEU 69 Cb -0.37 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.42 2heq s LEU 69 CO 0.45 -0.99 0.00 0.29 0.23 0.00 0.00 176.35 176.34 2heq n LYS 70 N 6.55 0.00 -0.20 1.70 4.76 -1.26 -4.74 118.16 124.97 2heq n LYS 70 Ca 0.32 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.74 2heq n LYS 70 Cb 0.47 -0.95 0.05 0.00 -1.84 0.00 0.00 35.03 32.76 2heq n LYS 70 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2heq h GLY 71 N 0.00 0.36 -3.41 0.72 0.00 -1.92 0.12 103.07 98.95 2heq h GLY 71 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2heq h GLY 71 CO 0.00 -0.23 0.00 0.61 0.00 0.00 0.00 176.54 176.92 2heq n GLY 72 N -1.42 2.89 0.30 4.60 0.00 -1.26 -4.31 105.19 105.99 2heq n GLY 72 Ca 0.06 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 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 0.75 2.08 -1.52 0.99 4.32 0.27 -4.60 117.00 119.28 2heq n LEU 73 Ca 0.27 0.03 -0.08 0.00 -0.02 0.00 0.00 56.01 56.21 2heq n LEU 73 Cb 1.11 -0.37 0.13 0.00 -1.62 0.00 0.00 43.42 42.67 2heq n LEU 73 CO 0.30 0.50 0.81 0.00 -1.22 0.00 0.00 177.39 177.78 2heq n ALA 74 N -3.13 3.85 0.10 -1.18 0.00 -0.30 -4.22 120.51 115.64 2heq n ALA 74 Ca -0.21 -1.35 -0.15 0.00 0.00 0.00 0.00 53.44 51.73 2heq n ALA 74 Cb 0.69 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.82 2heq n ALA 74 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2heq h TYR 75 N 0.97 0.46 -3.30 0.00 3.20 -1.81 -3.44 116.97 113.05 2heq h TYR 75 Ca 0.23 -0.33 -0.60 0.00 3.14 0.00 0.00 58.73 61.17 2heq h TYR 75 Cb 1.77 -0.02 -0.11 0.00 1.54 0.00 0.00 36.73 39.90 2heq h TYR 75 CO 0.75 1.26 -0.43 0.54 -1.64 0.00 0.00 178.16 178.64 2heq s VAL 76 N -2.66 5.37 -0.39 1.81 0.11 -1.26 -5.05 120.40 118.33 2heq s VAL 76 Ca -0.04 0.32 0.01 0.00 -2.93 0.00 0.00 61.98 59.35 2heq s VAL 76 Cb 0.07 -3.53 0.12 0.00 -1.53 0.00 0.00 36.38 31.51 2heq s VAL 76 CO 0.88 0.41 0.18 -0.76 -3.33 0.00 0.00 175.10 172.48 2heq s LEU 77 N 0.45 2.73 0.30 2.54 1.43 -1.26 -4.89 118.68 119.98 2heq s LEU 77 Ca 0.11 -2.26 0.00 0.00 -1.03 0.00 0.00 54.13 50.95 2heq s LEU 77 Cb -0.12 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.07 2heq s LEU 77 CO 0.00 -0.33 0.00 1.21 0.23 0.00 0.00 176.35 177.47 2heq n GLU 78 N 4.03 0.00 -0.74 1.70 0.00 -1.26 -4.89 120.64 119.48 2heq n GLU 78 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.15 2heq n GLU 78 Cb 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.73 2heq n GLU 78 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2heq n HIS 79 N -3.37 0.00 0.23 4.31 8.25 -1.26 -4.26 115.22 119.12 2heq n HIS 79 Ca 0.00 -1.24 0.10 0.00 -0.26 0.00 0.00 57.72 56.33 2heq n HIS 79 Cb 0.00 -1.05 0.53 0.00 1.12 0.00 0.00 29.99 30.59 2heq n HIS 79 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2heq h HIS 80 N 2.07 0.00 -3.89 4.41 6.17 -1.94 -3.44 115.15 118.53 2heq h HIS 80 Ca 0.10 0.00 -0.10 0.00 0.71 0.00 0.00 60.37 61.08 2heq h HIS 80 Cb 1.25 0.00 -0.14 0.00 2.52 0.00 0.00 27.41 31.04 2heq h HIS 80 CO 1.02 0.21 -0.38 -3.38 0.71 0.00 0.00 177.93 176.11 2heq s HIS 81 N -3.81 0.30 -0.23 5.26 -3.43 -1.26 -5.13 115.29 106.99 2heq s HIS 81 Ca -0.01 -0.70 -0.25 0.00 -0.80 0.00 0.00 55.06 53.30 2heq s HIS 81 Cb 0.11 -0.10 -0.01 0.00 -1.43 0.00 0.00 32.58 31.16 2heq s HIS 81 CO 0.62 -0.60 0.85 -1.01 -2.00 0.00 0.00 174.74 172.60 2heq s HIS 82 N -3.91 3.34 -0.19 0.38 0.09 -1.26 -5.01 115.29 108.71 2heq s HIS 82 Ca 0.11 1.19 -0.01 0.00 -0.00 0.00 0.00 55.06 56.34 2heq s HIS 82 Cb 0.05 -3.06 0.06 0.00 -0.00 0.00 0.00 32.58 29.62 2heq s HIS 82 CO -0.06 -0.37 -0.00 -1.58 -0.00 0.00 0.00 174.74 172.72 2heq s HIS 83 N 2.73 1.48 0.00 1.40 5.04 -1.26 -5.22 115.29 119.45 2heq s HIS 83 Ca 0.36 -1.10 0.00 0.00 -1.54 0.00 0.00 55.06 52.79 2heq s HIS 83 Cb -0.15 -1.21 0.00 0.00 0.04 0.00 0.00 32.58 31.26 2heq s HIS 83 CO 0.08 -0.64 0.00 1.58 -2.34 0.00 0.00 174.74 173.42