#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n7t s SER 2 N 0.00 5.69 0.02 1.61 0.01 -1.26 -5.07 113.70 114.70 1n7t s SER 2 Ca 0.00 -0.05 -0.30 0.00 1.31 0.00 0.00 55.95 56.91 1n7t s SER 2 Cb 0.00 -1.12 -0.03 0.00 0.21 0.00 0.00 66.02 65.07 1n7t s SER 2 CO 0.00 -0.75 0.98 -1.00 0.41 0.00 0.00 173.24 172.88 1n7t s HIS 3 N -2.47 3.68 -0.44 2.43 4.02 -1.26 -5.01 115.29 116.25 1n7t s HIS 3 Ca 0.51 1.71 -0.25 0.00 1.02 0.00 0.00 55.06 58.05 1n7t s HIS 3 Cb -0.10 -3.11 0.02 0.00 -1.02 0.00 0.00 32.58 28.37 1n7t s HIS 3 CO 0.35 0.00 0.88 -1.64 1.02 0.00 0.00 174.74 175.36 1n7t s MET 4 N 0.86 3.57 0.00 1.40 1.00 -1.26 -4.95 119.30 119.92 1n7t s MET 4 Ca 0.51 0.17 0.00 0.00 0.00 0.00 0.00 55.69 56.38 1n7t s MET 4 Cb -0.21 -3.90 0.00 0.00 0.00 0.00 0.00 34.83 30.71 1n7t s MET 4 CO 0.28 -1.13 0.00 0.41 0.00 0.00 0.00 175.02 174.59 1n7t n GLY 5 N 4.83 0.80 3.24 -0.03 0.00 -1.26 -5.15 105.19 107.61 1n7t n GLY 5 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1n7t n GLY 5 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n7t s HIS 6 N 1.86 -0.33 -0.42 1.61 4.02 -1.26 -5.05 115.29 115.72 1n7t s HIS 6 Ca 0.00 0.76 0.05 0.00 1.02 0.00 0.00 55.06 56.88 1n7t s HIS 6 Cb 0.00 0.12 0.49 0.00 -1.02 0.00 0.00 32.58 32.17 1n7t s HIS 6 CO 0.00 -0.23 1.58 -0.85 1.02 0.00 0.00 174.74 176.26 1n7t n GLU 7 N 2.49 2.72 -4.52 1.40 0.28 -1.26 -5.00 120.64 116.75 1n7t n GLU 7 Ca -0.15 -3.54 -0.25 0.00 -0.16 0.00 0.00 57.16 53.06 1n7t n GLU 7 Cb 0.57 -2.14 -0.08 0.00 1.43 0.00 0.00 31.44 31.22 1n7t n GLU 7 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1n7t s LEU 8 N -3.55 2.02 -0.69 -1.84 1.02 -1.26 -5.07 118.68 109.31 1n7t s LEU 8 Ca 0.54 -1.64 0.01 0.00 0.02 0.00 0.00 54.13 53.06 1n7t s LEU 8 Cb 0.44 -0.17 0.38 0.00 0.02 0.00 0.00 46.19 46.87 1n7t s LEU 8 CO 0.02 -0.89 1.68 0.00 0.02 0.00 0.00 176.35 177.17 1n7t n ALA 9 N -0.90 5.96 -2.78 4.21 0.00 -1.26 -4.96 120.51 120.78 1n7t n ALA 9 Ca -0.06 -4.19 -0.44 0.00 0.00 0.00 0.00 53.44 48.75 1n7t n ALA 9 Cb 0.65 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 18.59 1n7t n ALA 9 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1n7t s LYS 10 N -3.87 3.01 0.53 0.00 3.01 -1.26 -4.43 119.74 116.72 1n7t s LYS 10 Ca 0.51 -1.21 0.01 0.00 -1.01 0.00 0.00 55.97 54.26 1n7t s LYS 10 Cb 0.43 -4.10 -0.00 0.00 -1.01 0.00 0.00 37.83 33.14 1n7t s LYS 10 CO -0.32 -1.02 0.03 1.14 0.51 0.00 0.00 175.35 175.69 1n7t s GLN 11 N 1.82 2.23 -0.20 1.68 -2.07 -1.26 -5.04 119.66 116.82 1n7t s GLN 11 Ca 0.06 -2.42 -0.04 0.00 -1.82 0.00 0.00 55.36 51.14 1n7t s GLN 11 Cb -0.23 -1.55 0.09 0.00 -1.09 0.00 0.00 33.01 30.24 1n7t s GLN 11 CO 0.08 -0.42 0.23 -1.83 -1.32 0.00 0.00 175.29 172.03 1n7t s GLU 12 N -3.93 0.20 0.26 9.60 4.04 -1.26 -3.70 118.70 123.92 1n7t s GLU 12 Ca 0.03 0.25 0.07 0.00 0.04 0.00 0.00 54.97 55.37 1n7t s GLU 12 Cb 0.00 -1.10 -0.03 0.00 0.02 0.00 0.00 34.13 33.02 1n7t s GLU 12 CO 0.02 -0.63 0.21 0.96 -1.84 0.00 0.00 175.26 173.97 1n7t s ILE 13 N 2.34 4.33 0.11 1.83 -0.00 -0.69 -4.90 121.20 124.22 1n7t s ILE 13 Ca 0.07 -1.40 0.05 0.00 -0.00 0.00 0.00 60.65 59.37 1n7t s ILE 13 Cb -0.15 -3.38 -0.04 0.00 -0.00 0.00 0.00 42.46 38.89 1n7t s ILE 13 CO -0.12 -0.33 0.01 -0.13 -0.00 0.00 0.00 174.94 174.37 1n7t s ARG 14 N -3.86 2.56 -0.01 0.37 0.52 -1.26 -0.78 118.95 116.49 1n7t s ARG 14 Ca 0.34 -0.88 0.01 0.00 -0.52 0.00 0.00 55.73 54.68 1n7t s ARG 14 Cb -0.08 -2.53 0.01 0.00 0.52 0.00 0.00 34.95 32.87 1n7t s ARG 14 CO 0.25 0.52 -0.03 0.08 0.02 0.00 0.00 175.30 176.15 1n7t s VAL 15 N -1.41 0.26 -0.35 3.52 1.01 0.20 -4.97 120.40 118.66 1n7t s VAL 15 Ca 0.27 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.06 1n7t s VAL 15 Cb -0.11 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.03 1n7t s VAL 15 CO 0.19 0.10 0.17 -0.13 0.00 0.00 0.00 175.10 175.43 1n7t s ARG 16 N 0.22 2.90 -0.29 2.72 3.00 -1.26 -0.62 118.95 125.62 1n7t s ARG 16 Ca -0.02 -1.02 -0.08 0.00 0.00 0.00 0.00 55.73 54.61 1n7t s ARG 16 Cb -0.05 -3.63 -0.01 0.00 0.00 0.00 0.00 34.95 31.26 1n7t s ARG 16 CO -0.00 -0.63 0.12 0.08 0.00 0.00 0.00 175.30 174.87 1n7t s VAL 17 N 1.54 4.42 -0.32 3.52 1.01 -0.39 -4.90 120.40 125.28 1n7t s VAL 17 Ca 0.02 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 1n7t s VAL 17 Cb -0.19 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 1n7t s VAL 17 CO 0.06 0.15 0.45 -1.61 0.00 0.00 0.00 175.10 174.15 1n7t s GLU 18 N 1.60 3.77 0.03 2.72 2.02 -1.26 0.29 118.70 127.86 1n7t s GLU 18 Ca 0.05 -0.09 -0.30 0.00 0.02 0.00 0.00 54.97 54.64 1n7t s GLU 18 Cb -0.16 -3.75 -0.06 0.00 0.10 0.00 0.00 34.13 30.26 1n7t s GLU 18 CO 0.05 -0.49 1.33 0.15 0.02 0.00 0.00 175.26 176.32 1n7t s LYS 19 N 2.24 4.33 -0.37 1.61 1.02 0.27 -4.80 119.74 124.03 1n7t s LYS 19 Ca 0.17 1.92 -0.04 0.00 0.02 0.00 0.00 55.97 58.04 1n7t s LYS 19 Cb -0.16 -3.44 0.20 0.00 -0.52 0.00 0.00 37.83 33.91 1n7t s LYS 19 CO 0.12 -0.46 0.99 0.34 -0.92 0.00 0.00 175.35 175.42 1n7t s ASP 20 N 1.48 -0.58 0.00 2.83 -1.08 -1.26 -4.65 116.67 113.40 1n7t s ASP 20 Ca 0.62 -0.56 0.27 0.00 -0.52 0.00 0.00 52.55 52.36 1n7t s ASP 20 Cb -0.32 0.75 0.88 0.00 -1.46 0.00 0.00 42.92 42.78 1n7t s ASP 20 CO 0.27 -0.03 1.67 -0.81 0.52 0.00 0.00 175.17 176.79 1n7t n PRO 21 N 3.04 0.17 -3.77 4.34 -0.05 -1.26 -5.02 135.00 132.45 1n7t n PRO 21 Ca 0.11 -0.07 -0.16 0.00 -0.05 0.00 0.00 63.50 63.33 1n7t n PRO 21 Cb 0.62 -1.50 -0.06 0.00 -0.05 0.00 0.00 33.50 32.52 1n7t n PRO 21 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 1n7t n GLU 22 N -1.36 0.41 0.33 0.54 1.02 -1.26 -5.08 120.64 115.25 1n7t n GLU 22 Ca 0.08 -2.62 -0.16 0.00 -0.02 0.00 0.00 57.16 54.44 1n7t n GLU 22 Cb 0.33 1.93 -0.08 0.00 -0.02 0.00 0.00 31.44 33.60 1n7t n GLU 22 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1n7t h LEU 23 N 0.00 -0.70 0.00 -4.62 4.07 -1.93 -3.38 115.31 108.75 1n7t h LEU 23 Ca -0.20 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1n7t h LEU 23 Cb 0.94 0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1n7t h LEU 23 CO 0.30 -0.41 0.00 0.61 -1.08 0.00 0.00 178.44 177.87 1n7t n GLY 24 N -1.02 1.91 3.48 0.83 0.00 -1.26 -4.29 105.19 104.84 1n7t n GLY 24 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 1n7t n GLY 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1n7t s PHE 25 N -2.00 -0.60 0.08 1.61 -0.12 -1.26 -3.60 117.98 112.08 1n7t s PHE 25 Ca 0.00 1.26 -0.01 0.00 -0.05 0.00 0.00 56.93 58.13 1n7t s PHE 25 Cb 0.00 0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 42.63 1n7t s PHE 25 CO 0.00 -0.45 0.25 -1.54 -0.05 0.00 0.00 175.22 173.43 1n7t s SER 26 N -0.50 6.40 0.09 1.98 1.04 -1.15 -5.07 113.70 116.49 1n7t s SER 26 Ca -0.06 0.36 0.09 0.00 0.48 0.00 0.00 55.95 56.82 1n7t s SER 26 Cb -0.03 -2.00 -0.03 0.00 0.10 0.00 0.00 66.02 64.06 1n7t s SER 26 CO 0.05 0.15 -0.25 0.27 0.98 0.00 0.00 173.24 174.44 1n7t s ILE 27 N -1.53 2.03 0.12 -1.02 -4.36 -1.26 -3.60 121.20 111.58 1n7t s ILE 27 Ca 0.36 -1.54 -0.05 0.00 -0.26 0.00 0.00 60.65 59.16 1n7t s ILE 27 Cb -0.13 -1.79 -0.02 0.00 1.25 0.00 0.00 42.46 41.77 1n7t s ILE 27 CO 0.26 0.15 0.14 -0.55 0.24 0.00 0.00 174.94 175.18 1n7t s SER 28 N -1.69 0.22 0.00 4.36 0.15 -0.73 -4.95 113.70 111.06 1n7t s SER 28 Ca 0.11 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.80 1n7t s SER 28 Cb -0.10 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 1n7t s SER 28 CO 0.04 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1n7t n GLY 29 N -0.09 0.33 0.00 9.45 0.00 -1.22 -1.56 105.19 112.11 1n7t n GLY 29 Ca -0.09 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1n7t n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n7t n GLY 30 N 0.00 2.01 3.56 -0.02 0.00 -0.29 -4.03 105.19 106.41 1n7t n GLY 30 Ca 0.00 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 1n7t n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n7t s VAL 31 N -2.69 3.74 0.00 1.61 1.01 0.44 -3.17 120.40 121.35 1n7t s VAL 31 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1n7t s VAL 31 Cb 0.00 -4.74 0.00 0.00 0.00 0.00 0.00 36.38 31.64 1n7t s VAL 31 CO 0.00 -1.61 0.00 0.61 0.00 0.00 0.00 175.10 174.10 1n7t n GLY 32 N 5.34 0.70 0.00 4.51 0.00 -1.26 -4.40 105.19 110.08 1n7t n GLY 32 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1n7t n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n7t n GLY 33 N -2.06 0.22 0.24 -0.02 0.00 -1.19 -4.92 105.19 97.46 1n7t n GLY 33 Ca 0.00 -1.61 0.09 0.00 0.00 0.00 0.00 46.02 44.50 1n7t n GLY 33 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1n7t h ARG 34 N 0.00 0.00 0.00 1.61 3.08 -1.88 -3.49 114.38 113.70 1n7t h ARG 34 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1n7t h ARG 34 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1n7t h ARG 34 CO 0.00 0.14 0.00 0.41 -1.07 0.00 0.00 179.97 179.45 1n7t n GLY 35 N -0.95 0.34 2.92 0.04 0.00 -1.26 -4.95 105.19 101.34 1n7t n GLY 35 Ca -0.02 -1.82 -0.15 0.00 0.00 0.00 0.00 46.02 44.02 1n7t n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n7t s ASN 36 N -1.56 0.45 -0.25 1.61 2.20 -1.26 -3.39 114.94 112.73 1n7t s ASN 36 Ca 0.00 -0.07 0.04 0.00 -0.94 0.00 0.00 52.86 51.90 1n7t s ASN 36 Cb 0.00 -0.07 0.45 0.00 -2.00 0.00 0.00 41.25 39.63 1n7t s ASN 36 CO 0.00 0.03 1.50 -0.81 -2.94 0.00 0.00 177.10 174.88 1n7t n PRO 37 N 3.08 2.24 -0.11 3.55 -0.04 -1.26 -4.29 135.00 138.17 1n7t n PRO 37 Ca -0.14 -1.91 -0.21 0.00 -0.04 0.00 0.00 63.50 61.20 1n7t n PRO 37 Cb 0.58 -1.81 -0.07 0.00 -0.04 0.00 0.00 33.50 32.16 1n7t n PRO 37 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1n7t n PHE 38 N -0.28 0.00 -4.80 0.54 3.01 -1.26 -5.00 117.46 109.67 1n7t n PHE 38 Ca 0.32 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.46 1n7t n PHE 38 Cb 1.13 -0.76 -0.13 0.00 -0.01 0.00 0.00 39.48 39.71 1n7t n PHE 38 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1n7t s ARG 39 N -2.65 2.42 -0.19 -1.08 0.52 -1.26 -5.06 118.95 111.65 1n7t s ARG 39 Ca -0.34 -0.75 -0.23 0.00 -0.52 0.00 0.00 55.73 53.89 1n7t s ARG 39 Cb 0.10 -2.35 -0.20 0.00 0.52 0.00 0.00 34.95 33.02 1n7t s ARG 39 CO 0.45 0.61 0.33 -1.00 0.02 0.00 0.00 175.30 175.70 1n7t h PRO 40 N 5.10 0.00 0.00 3.54 0.13 -1.94 -3.39 132.00 135.43 1n7t h PRO 40 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1n7t h PRO 40 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1n7t h PRO 40 CO 0.50 0.97 -0.43 -0.40 -0.23 0.00 0.00 178.00 178.41 1n7t n ASP 41 N -4.48 0.47 -4.51 1.44 5.68 -1.26 -4.78 116.55 109.11 1n7t n ASP 41 Ca -0.26 0.01 -0.40 0.00 -0.50 0.00 0.00 54.79 53.64 1n7t n ASP 41 Cb 0.62 0.06 -0.11 0.00 -1.14 0.00 0.00 41.12 40.55 1n7t n ASP 41 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1n7t s ASP 42 N -3.38 5.90 -0.67 -1.12 -1.08 -1.26 -4.97 116.67 110.09 1n7t s ASP 42 Ca 0.10 -0.40 -0.00 0.00 -0.52 0.00 0.00 52.55 51.73 1n7t s ASP 42 Cb 0.16 -2.09 0.41 0.00 -1.46 0.00 0.00 42.92 39.94 1n7t s ASP 42 CO 0.67 -0.20 1.84 -0.90 0.52 0.00 0.00 175.17 177.10 1n7t n ASP 43 N 5.06 7.02 -1.14 -0.34 5.75 -1.26 -4.67 116.55 126.97 1n7t n ASP 43 Ca -0.13 -3.80 0.00 0.00 -0.01 0.00 0.00 54.79 50.85 1n7t n ASP 43 Cb 0.50 -0.88 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 1n7t n ASP 43 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n7t n GLY 44 N -0.71 0.94 3.56 6.12 0.00 -1.26 -2.80 105.19 111.03 1n7t n GLY 44 Ca 0.55 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 1n7t n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n7t s ILE 45 N 1.28 4.17 0.06 -0.61 -1.09 -1.26 -1.14 121.20 122.60 1n7t s ILE 45 Ca 0.00 -0.27 0.04 0.00 -2.23 0.00 0.00 60.65 58.20 1n7t s ILE 45 Cb 0.00 -2.82 -0.03 0.00 -1.58 0.00 0.00 42.46 38.03 1n7t s ILE 45 CO 0.00 0.51 -0.13 -0.36 -1.23 0.00 0.00 174.94 173.73 1n7t s PHE 46 N 0.11 1.10 -1.25 3.97 0.40 -0.60 -2.15 117.98 119.57 1n7t s PHE 46 Ca 0.01 -0.43 -0.11 0.00 -0.60 0.00 0.00 56.93 55.80 1n7t s PHE 46 Cb -0.13 -0.64 0.17 0.00 0.51 0.00 0.00 43.02 42.93 1n7t s PHE 46 CO 0.02 0.03 1.70 0.28 0.70 0.00 0.00 175.22 177.95 1n7t n VAL 47 N 1.51 4.33 -0.35 -0.44 0.31 -0.87 -1.77 118.33 121.06 1n7t n VAL 47 Ca -0.20 -4.56 0.01 0.00 -0.01 0.00 0.00 64.34 59.58 1n7t n VAL 47 Cb 0.54 -2.39 0.07 0.00 -0.91 0.00 0.00 33.84 31.15 1n7t n VAL 47 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1n7t n THR 48 N 3.77 -0.45 -3.58 2.52 5.66 -1.24 -2.98 114.28 117.98 1n7t n THR 48 Ca 0.38 2.14 -0.11 0.00 -3.05 0.00 0.00 64.05 63.42 1n7t n THR 48 Cb 0.39 -2.87 -0.03 0.00 -1.55 0.00 0.00 70.33 66.27 1n7t n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1n7t s ARG 49 N -5.98 1.34 0.12 1.09 1.70 -1.26 -4.53 118.95 111.42 1n7t s ARG 49 Ca -0.13 -0.66 0.10 0.00 -0.47 0.00 0.00 55.73 54.57 1n7t s ARG 49 Cb 0.21 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 35.11 1n7t s ARG 49 CO 0.68 -0.58 -0.26 0.08 -1.08 0.00 0.00 175.30 174.14 1n7t s VAL 50 N -3.81 2.15 -0.03 4.99 1.01 -1.26 -2.93 120.40 120.52 1n7t s VAL 50 Ca 0.04 -1.69 -0.03 0.00 0.00 0.00 0.00 61.98 60.30 1n7t s VAL 50 Cb -0.01 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 1n7t s VAL 50 CO -0.08 0.08 -0.06 0.00 0.00 0.00 0.00 175.10 175.04 1n7t n GLN 51 N 1.01 0.09 -2.53 2.72 1.13 -1.24 -4.98 117.38 113.60 1n7t n GLN 51 Ca -0.18 0.04 -0.42 0.00 -1.94 0.00 0.00 57.00 54.49 1n7t n GLN 51 Cb 0.53 -0.58 -0.03 0.00 0.11 0.00 0.00 30.24 30.28 1n7t n GLN 51 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1n7t s PRO 52 N -1.38 4.35 -1.48 -1.09 0.04 -1.26 -4.93 135.00 129.24 1n7t s PRO 52 Ca -0.05 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 1n7t s PRO 52 Cb 0.01 -3.58 -0.05 0.00 0.04 0.00 0.00 34.50 30.92 1n7t s PRO 52 CO 0.08 -0.45 2.63 -0.85 0.04 0.00 0.00 177.00 178.45 1n7t n GLU 53 N 5.34 3.22 0.07 4.56 -0.00 -1.26 -4.13 120.64 128.45 1n7t n GLU 53 Ca 0.11 -2.24 0.00 0.00 -0.00 0.00 0.00 57.16 55.03 1n7t n GLU 53 Cb 0.47 -2.92 0.00 0.00 -0.00 0.00 0.00 31.44 28.99 1n7t n GLU 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1n7t n GLY 54 N 3.79 -1.70 0.00 -1.84 0.00 -1.26 -4.84 105.19 99.34 1n7t n GLY 54 Ca 0.67 0.39 0.00 0.00 0.00 0.00 0.00 46.02 47.08 1n7t n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1n7t n PRO 55 N -2.80 0.00 -2.52 1.61 -0.04 -1.26 -4.29 135.00 125.70 1n7t n PRO 55 Ca 0.00 0.21 -0.28 0.00 -0.04 0.00 0.00 63.50 63.39 1n7t n PRO 55 Cb 0.00 -1.15 -0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1n7t n PRO 55 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n7t n ALA 56 N -1.02 5.12 0.03 0.55 0.00 -1.26 -4.70 120.51 119.23 1n7t n ALA 56 Ca 0.00 -4.38 -0.02 0.00 0.00 0.00 0.00 53.44 49.04 1n7t n ALA 56 Cb 0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 19.45 18.75 1n7t n ALA 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1n7t n SER 57 N -0.44 1.24 0.00 0.00 2.88 -1.26 -4.21 113.62 111.83 1n7t n SER 57 Ca 0.39 0.17 0.06 0.00 -1.33 0.00 0.00 58.87 58.16 1n7t n SER 57 Cb 0.58 -0.40 0.29 0.00 -0.75 0.00 0.00 64.21 63.92 1n7t n SER 57 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1n7t n LYS 58 N -3.65 0.00 -0.11 -1.46 2.85 -1.26 -3.57 118.16 110.96 1n7t n LYS 58 Ca -0.02 0.27 -0.22 0.00 -1.05 0.00 0.00 58.31 57.28 1n7t n LYS 58 Cb 0.09 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 32.89 1n7t n LYS 58 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1n7t n LEU 59 N -1.50 1.74 -4.92 -5.58 4.77 -1.26 -5.02 117.00 105.24 1n7t n LEU 59 Ca 0.03 0.30 -0.27 0.00 -0.03 0.00 0.00 56.01 56.05 1n7t n LEU 59 Cb 0.16 -0.71 -0.01 0.00 -2.33 0.00 0.00 43.42 40.52 1n7t n LEU 59 CO 0.12 0.32 0.29 -0.76 -1.33 0.00 0.00 177.39 176.03 1n7t s LEU 60 N -7.43 3.88 0.02 2.23 1.43 -1.23 -5.11 118.68 112.46 1n7t s LEU 60 Ca -0.32 0.71 0.04 0.00 -1.03 0.00 0.00 54.13 53.53 1n7t s LEU 60 Cb 0.11 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 1n7t s LEU 60 CO 0.42 -0.37 -0.13 0.00 0.23 0.00 0.00 176.35 176.50 1n7t s GLN 61 N -4.25 0.94 0.05 1.70 -2.07 -1.26 -4.57 119.66 110.19 1n7t s GLN 61 Ca 0.44 -0.59 -0.36 0.00 -1.82 0.00 0.00 55.36 53.02 1n7t s GLN 61 Cb -0.10 -0.92 -0.16 0.00 -1.09 0.00 0.00 33.01 30.75 1n7t s GLN 61 CO 0.37 0.24 1.49 -2.30 -1.32 0.00 0.00 175.29 173.77 1n7t n PRO 62 N 2.33 1.47 0.00 9.60 -0.02 -1.26 -2.35 135.00 144.76 1n7t n PRO 62 Ca -0.16 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1n7t n PRO 62 Cb 0.55 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1n7t n PRO 62 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n7t n GLY 63 N 3.08 0.69 3.76 -1.23 0.00 -1.16 -5.02 105.19 105.32 1n7t n GLY 63 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1n7t n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n7t s ASP 64 N -2.42 7.29 -0.18 1.61 1.01 -0.99 -4.80 116.67 118.19 1n7t s ASP 64 Ca 0.00 2.15 -0.13 0.00 0.71 0.00 0.00 52.55 55.29 1n7t s ASP 64 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 1n7t s ASP 64 CO 0.00 -0.11 0.24 -0.75 0.21 0.00 0.00 175.17 174.76 1n7t s LYS 65 N -1.54 4.21 -0.37 8.23 2.20 -1.26 -2.05 119.74 129.17 1n7t s LYS 65 Ca 0.46 -0.03 -0.22 0.00 -0.36 0.00 0.00 55.97 55.82 1n7t s LYS 65 Cb -0.29 -3.45 0.01 0.00 -1.51 0.00 0.00 37.83 32.59 1n7t s LYS 65 CO 0.37 0.21 0.72 0.42 -0.36 0.00 0.00 175.35 176.71 1n7t s ILE 66 N 0.57 4.80 -0.15 5.43 1.01 -0.91 -2.76 121.20 129.19 1n7t s ILE 66 Ca 0.13 0.70 -0.13 0.00 0.00 0.00 0.00 60.65 61.35 1n7t s ILE 66 Cb -0.13 -4.16 -0.24 0.00 0.01 0.00 0.00 42.46 37.95 1n7t s ILE 66 CO 0.02 -0.41 0.33 0.40 0.00 0.00 0.00 174.94 175.29 1n7t h ILE 67 N 5.74 0.77 -3.16 2.92 1.08 -1.47 -3.43 117.51 119.96 1n7t h ILE 67 Ca -0.25 -2.29 -0.13 0.00 -0.39 0.00 0.00 64.86 61.80 1n7t h ILE 67 Cb 1.10 2.42 -0.20 0.00 -3.07 0.00 0.00 36.82 37.06 1n7t h ILE 67 CO 0.88 0.66 -0.34 -1.10 -0.69 0.00 0.00 178.15 177.57 1n7t s GLN 68 N -2.48 0.61 -0.06 2.37 -0.21 -1.24 -1.45 119.66 117.20 1n7t s GLN 68 Ca -0.25 -0.22 -0.01 0.00 0.02 0.00 0.00 55.36 54.90 1n7t s GLN 68 Cb 0.06 0.27 0.03 0.00 1.00 0.00 0.00 33.01 34.37 1n7t s GLN 68 CO 0.70 -0.16 0.01 0.00 -2.12 0.00 0.00 175.29 173.73 1n7t s ALA 69 N -1.28 0.54 -0.53 6.09 0.00 -0.16 -1.39 121.76 125.04 1n7t s ALA 69 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1n7t s ALA 69 Cb -0.06 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1n7t s ALA 69 CO 0.03 -0.41 0.00 0.09 0.00 0.00 0.00 175.76 175.48 1n7t n ASN 70 N 5.04 -2.28 0.00 0.00 3.02 -0.75 0.65 115.26 120.93 1n7t n ASN 70 Ca -0.09 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1n7t n ASN 70 Cb 0.50 -2.06 0.00 0.00 -0.61 0.00 0.00 39.78 37.61 1n7t n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n7t n GLY 71 N -0.56 1.46 3.70 7.41 0.00 -1.26 -5.06 105.19 110.87 1n7t n GLY 71 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 1n7t n GLY 71 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n7t s TYR 72 N -2.37 3.50 -0.03 1.61 2.02 0.21 -5.03 117.35 117.25 1n7t s TYR 72 Ca 0.00 1.07 -0.30 0.00 -0.37 0.00 0.00 57.07 57.47 1n7t s TYR 72 Cb 0.00 -2.74 -0.04 0.00 -0.40 0.00 0.00 41.96 38.78 1n7t s TYR 72 CO 0.00 0.03 1.15 -1.54 -1.57 0.00 0.00 175.55 173.61 1n7t s SER 73 N 0.87 7.12 -0.10 2.29 1.04 -1.26 -0.99 113.70 122.68 1n7t s SER 73 Ca 0.32 1.81 0.18 0.00 0.48 0.00 0.00 55.95 58.74 1n7t s SER 73 Cb -0.16 -2.56 0.67 0.00 0.10 0.00 0.00 66.02 64.06 1n7t s SER 73 CO 0.14 -0.50 1.58 0.49 0.98 0.00 0.00 173.24 175.93 1n7t n PHE 74 N 4.70 1.32 -3.21 5.02 3.01 -0.53 -4.94 117.46 122.83 1n7t n PHE 74 Ca 0.10 -0.61 -0.39 0.00 1.01 0.00 0.00 57.45 57.56 1n7t n PHE 74 Cb 0.47 -0.21 -0.06 0.00 -0.01 0.00 0.00 39.48 39.67 1n7t n PHE 74 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1n7t s ILE 75 N -1.75 5.09 -0.63 4.37 -1.09 -1.25 -4.43 121.20 121.52 1n7t s ILE 75 Ca 0.48 1.05 -0.03 0.00 -2.23 0.00 0.00 60.65 59.93 1n7t s ILE 75 Cb 0.31 -3.88 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 1n7t s ILE 75 CO 0.24 0.19 0.63 0.59 -1.23 0.00 0.00 174.94 175.36 1n7t n ASN 76 N 4.57 -7.36 -3.94 3.58 4.13 -1.26 -5.06 115.26 109.92 1n7t n ASN 76 Ca -0.04 0.04 -0.10 0.00 1.68 0.00 0.00 54.58 56.17 1n7t n ASN 76 Cb 0.50 -4.98 -0.06 0.00 -1.54 0.00 0.00 39.78 33.70 1n7t n ASN 76 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1n7t s ILE 77 N -2.90 0.05 0.32 2.41 -4.36 -1.26 -5.01 121.20 110.45 1n7t s ILE 77 Ca 0.04 -1.32 -0.24 0.00 -0.26 0.00 0.00 60.65 58.87 1n7t s ILE 77 Cb -0.01 -1.86 -0.10 0.00 1.25 0.00 0.00 42.46 41.74 1n7t s ILE 77 CO 0.69 -0.23 0.91 -1.61 0.24 0.00 0.00 174.94 174.94 1n7t s GLU 78 N -3.97 4.48 0.15 0.37 2.02 -1.26 -0.42 118.70 120.07 1n7t s GLU 78 Ca 0.17 1.22 -0.20 0.00 0.02 0.00 0.00 54.97 56.18 1n7t s GLU 78 Cb 0.02 -2.73 0.04 0.00 0.10 0.00 0.00 34.13 31.56 1n7t s GLU 78 CO 0.01 0.26 1.65 1.25 0.02 0.00 0.00 175.26 178.45 1n7t h HIS 79 N 3.03 -0.43 -0.26 1.61 2.76 -1.80 -1.04 115.15 119.03 1n7t h HIS 79 Ca -0.47 0.03 0.07 0.00 -2.20 0.00 0.00 60.37 57.81 1n7t h HIS 79 Cb 1.19 0.23 -0.01 0.00 1.55 0.00 0.00 27.41 30.37 1n7t h HIS 79 CO 0.62 -0.24 0.23 0.78 -1.30 0.00 0.00 177.93 178.01 1n7t h GLY 80 N -0.15 0.00 1.15 5.26 0.00 -1.93 -0.84 103.07 106.56 1n7t h GLY 80 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.27 1n7t h GLY 80 CO -0.36 0.00 -0.69 -1.61 0.00 0.00 0.00 176.54 173.88 1n7t h GLN 81 N 0.00 0.82 -0.37 4.80 -0.00 -1.59 -1.68 115.11 117.09 1n7t h GLN 81 Ca 0.12 -0.61 -0.09 0.00 -0.00 0.00 0.00 58.65 58.07 1n7t h GLN 81 Cb 0.57 0.11 -0.02 0.00 0.00 0.00 0.00 27.48 28.15 1n7t h GLN 81 CO -0.00 1.23 -0.14 0.00 0.00 0.00 0.00 178.83 179.92 1n7t h ALA 82 N 0.59 1.06 -0.09 3.38 0.00 -0.76 -2.54 119.26 120.91 1n7t h ALA 82 Ca -0.03 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 1n7t h ALA 82 Cb 1.31 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1n7t h ALA 82 CO 0.15 0.57 -0.46 0.28 0.00 0.00 0.00 179.25 179.79 1n7t h VAL 83 N 0.60 1.38 -0.88 0.00 2.07 -1.38 -2.51 116.25 115.53 1n7t h VAL 83 Ca 0.10 -1.80 0.09 0.00 0.82 0.00 0.00 66.70 65.90 1n7t h VAL 83 Cb 0.59 2.23 -0.06 0.00 -1.52 0.00 0.00 31.29 32.53 1n7t h VAL 83 CO 0.04 0.54 0.57 -1.28 0.02 0.00 0.00 177.57 177.46 1n7t h SER 84 N 0.05 0.82 -0.22 0.57 0.87 -1.22 0.75 113.55 115.16 1n7t h SER 84 Ca -0.03 0.02 -0.19 0.00 -1.23 0.00 0.00 61.79 60.35 1n7t h SER 84 Cb 1.10 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 1n7t h SER 84 CO 0.09 0.50 -0.60 -0.07 -0.53 0.00 0.00 176.83 176.22 1n7t h LEU 85 N 0.91 0.94 0.00 2.23 3.38 -1.47 -2.61 115.31 118.69 1n7t h LEU 85 Ca 0.40 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1n7t h LEU 85 Cb 0.34 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1n7t h LEU 85 CO -0.16 1.32 0.00 0.18 0.09 0.00 0.00 178.44 179.87 1n7t n LEU 86 N -3.98 0.00 -0.12 1.67 4.77 -0.56 -2.92 117.00 115.86 1n7t n LEU 86 Ca -0.05 0.15 -0.19 0.00 -0.03 0.00 0.00 56.01 55.89 1n7t n LEU 86 Cb 0.65 -0.15 -0.12 0.00 -2.33 0.00 0.00 43.42 41.47 1n7t n LEU 86 CO 0.51 -0.01 -1.31 0.29 -1.33 0.00 0.00 177.39 175.53 1n7t n LYS 87 N -1.15 0.65 0.20 3.23 4.76 0.15 -4.48 118.16 121.52 1n7t n LYS 87 Ca 0.17 0.17 0.07 0.00 -2.87 0.00 0.00 58.31 55.85 1n7t n LYS 87 Cb 0.16 -1.53 0.32 0.00 -1.84 0.00 0.00 35.03 32.14 1n7t n LYS 87 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n7t h THR 88 N -0.07 0.68 -1.89 -0.18 1.03 -1.50 -3.47 112.91 107.51 1n7t h THR 88 Ca -0.58 -1.46 -0.41 0.00 -0.01 0.00 0.00 66.41 63.95 1n7t h THR 88 Cb 1.89 1.96 0.22 0.00 -1.07 0.00 0.00 68.15 71.15 1n7t h THR 88 CO -0.10 0.31 -1.35 0.49 -0.01 0.00 0.00 175.52 174.86 1n7t n PHE 89 N -3.38 -1.53 -0.09 0.00 3.72 -1.15 -5.04 117.46 109.99 1n7t n PHE 89 Ca 0.01 0.25 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 1n7t n PHE 89 Cb 0.52 -1.48 0.00 0.00 -0.94 0.00 0.00 39.48 37.58 1n7t n PHE 89 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1n7t n GLN 90 N -0.83 3.58 0.00 -1.08 7.27 -1.26 -5.05 117.38 120.00 1n7t n GLN 90 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.07 1n7t n GLN 90 Cb 0.60 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 33.25 1n7t n GLN 90 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 1n7t h ASN 91 N 0.00 -0.02 -3.52 1.69 2.35 -1.93 -3.45 115.58 110.70 1n7t h ASN 91 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1n7t h ASN 91 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 1n7t h ASN 91 CO 0.00 0.06 0.30 -0.89 -1.65 0.00 0.00 177.43 175.25 1n7t s THR 92 N -1.32 4.60 -0.14 2.81 2.01 -1.26 -0.57 115.64 121.78 1n7t s THR 92 Ca -0.00 1.94 0.02 0.00 0.31 0.00 0.00 61.69 63.96 1n7t s THR 92 Cb 0.00 -4.26 0.01 0.00 0.01 0.00 0.00 72.50 68.26 1n7t s THR 92 CO 0.01 0.32 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.36 1n7t s VAL 93 N 0.06 1.97 -0.35 3.82 1.01 0.14 -4.94 120.40 122.12 1n7t s VAL 93 Ca 0.45 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 61.29 1n7t s VAL 93 Cb -0.22 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1n7t s VAL 93 CO 0.28 0.53 0.68 -1.61 0.00 0.00 0.00 175.10 174.97 1n7t s GLU 94 N 0.88 3.74 0.10 2.72 2.02 -1.26 -1.26 118.70 125.64 1n7t s GLU 94 Ca -0.06 0.17 0.10 0.00 0.02 0.00 0.00 54.97 55.20 1n7t s GLU 94 Cb -0.15 -3.79 -0.04 0.00 0.10 0.00 0.00 34.13 30.25 1n7t s GLU 94 CO -0.03 -0.74 -0.23 -0.51 0.02 0.00 0.00 175.26 173.77 1n7t s LEU 95 N 2.79 2.42 -0.08 1.80 1.43 0.21 -1.81 118.68 125.44 1n7t s LEU 95 Ca 0.26 -0.63 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 1n7t s LEU 95 Cb -0.14 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 1n7t s LEU 95 CO 0.15 0.21 -0.24 -0.63 0.23 0.00 0.00 176.35 176.07 1n7t s ILE 96 N -1.01 2.13 0.28 -0.59 1.01 -0.48 0.60 121.20 123.14 1n7t s ILE 96 Ca 0.15 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.81 1n7t s ILE 96 Cb -0.10 -1.80 -0.06 0.00 0.01 0.00 0.00 42.46 40.51 1n7t s ILE 96 CO 0.06 0.56 0.06 0.27 0.00 0.00 0.00 174.94 175.89 1n7t s ILE 97 N 0.13 0.97 0.01 2.92 -4.36 0.04 -1.11 121.20 119.81 1n7t s ILE 97 Ca -0.12 -2.01 0.03 0.00 -0.26 0.00 0.00 60.65 58.29 1n7t s ILE 97 Cb -0.16 -2.65 -0.01 0.00 1.25 0.00 0.00 42.46 40.89 1n7t s ILE 97 CO 0.07 -0.07 -0.10 -0.69 0.24 0.00 0.00 174.94 174.39 1n7t s VAL 98 N -3.46 0.76 -0.38 8.37 1.01 -1.11 -1.70 120.40 123.88 1n7t s VAL 98 Ca 0.35 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1n7t s VAL 98 Cb 0.08 -0.68 0.10 0.00 0.00 0.00 0.00 36.38 35.87 1n7t s VAL 98 CO 0.14 0.05 0.16 -0.13 0.00 0.00 0.00 175.10 175.32 1n7t s ARG 99 N -0.65 2.08 0.06 2.72 3.00 -1.24 -4.04 118.95 120.88 1n7t s ARG 99 Ca 0.01 -1.69 -0.28 0.00 0.00 0.00 0.00 55.73 53.76 1n7t s ARG 99 Cb -0.05 -3.49 -0.05 0.00 0.00 0.00 0.00 34.95 31.35 1n7t s ARG 99 CO 0.00 -0.97 0.89 -1.21 0.00 0.00 0.00 175.30 174.02 1n7t s GLU 100 N 1.16 4.60 0.69 3.54 0.41 -1.26 -4.28 118.70 123.56 1n7t s GLU 100 Ca 0.06 1.31 0.04 0.00 -0.41 0.00 0.00 54.97 55.96 1n7t s GLU 100 Cb -0.22 -3.39 0.13 0.00 -1.78 0.00 0.00 34.13 28.87 1n7t s GLU 100 CO -0.03 0.18 0.94 0.14 -0.49 0.00 0.00 175.26 176.00 1n7t s VAL 101 N 0.21 2.02 -0.17 2.63 -7.23 -1.26 -5.00 120.40 111.60 1n7t s VAL 101 Ca 0.45 -0.78 -0.29 0.00 -1.81 0.00 0.00 61.98 59.56 1n7t s VAL 101 Cb -0.22 -2.24 -0.06 0.00 0.56 0.00 0.00 36.38 34.42 1n7t s VAL 101 CO 0.27 0.00 2.11 -0.55 -0.31 0.00 0.00 175.10 176.62 1n7t s SER 102 N -4.77 5.75 0.00 4.85 0.15 -1.26 -5.06 113.70 113.36 1n7t s SER 102 Ca 0.66 2.02 0.00 0.00 0.70 0.00 0.00 55.95 59.33 1n7t s SER 102 Cb -0.04 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1n7t s SER 102 CO 0.43 -1.71 0.00 -0.24 1.20 0.00 0.00 173.24 172.92