#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 -0.81 0.52 1.61 0.15 -1.26 -5.16 113.70 108.75 1n7t s SER 2 Ca 0.00 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.06 1n7t s SER 2 Cb 0.00 1.62 0.02 0.00 -1.71 0.00 0.00 66.02 65.95 1n7t s SER 2 CO 0.00 -0.25 0.75 -1.38 1.20 0.00 0.00 173.24 173.56 1n7t s HIS 3 N 2.15 3.01 0.00 3.44 -0.00 -1.26 -5.04 115.29 117.59 1n7t s HIS 3 Ca 0.14 0.12 0.00 0.00 -0.00 0.00 0.00 55.06 55.31 1n7t s HIS 3 Cb -0.09 -2.61 0.00 0.00 -0.00 0.00 0.00 32.58 29.89 1n7t s HIS 3 CO -0.15 -0.70 0.00 0.00 -0.00 0.00 0.00 174.74 173.89 1n7t n MET 4 N -2.27 0.00 0.00 -0.38 -0.00 -1.26 -5.10 117.12 108.10 1n7t n MET 4 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.75 1n7t n MET 4 Cb 0.59 -0.89 0.00 0.00 -0.00 0.00 0.00 33.22 32.92 1n7t n MET 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1n7t n GLY 5 N 3.25 1.50 3.27 3.17 0.00 -1.26 -5.18 105.19 109.93 1n7t n GLY 5 Ca 0.00 0.26 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 1n7t n GLY 5 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1n7t s HIS 6 N 0.00 1.80 0.02 1.61 5.65 -1.26 -5.15 115.29 117.96 1n7t s HIS 6 Ca 0.00 -0.39 -0.01 0.00 0.25 0.00 0.00 55.06 54.90 1n7t s HIS 6 Cb 0.00 -1.03 -0.04 0.00 -1.18 0.00 0.00 32.58 30.33 1n7t s HIS 6 CO 0.00 0.14 0.19 -2.00 -0.65 0.00 0.00 174.74 172.42 1n7t s GLU 7 N -1.50 3.41 -0.16 2.88 2.12 -1.26 -5.01 118.70 119.17 1n7t s GLU 7 Ca 0.07 -0.38 0.20 0.00 0.36 0.00 0.00 54.97 55.22 1n7t s GLU 7 Cb -0.09 -3.06 0.42 0.00 0.26 0.00 0.00 34.13 31.66 1n7t s GLU 7 CO 0.03 0.65 1.18 1.47 -0.54 0.00 0.00 175.26 178.04 1n7t n LEU 8 N 0.69 0.73 0.00 2.70 -0.00 -1.26 -5.10 117.00 114.75 1n7t n LEU 8 Ca -0.09 -2.61 0.00 0.00 -0.00 0.00 0.00 56.01 53.31 1n7t n LEU 8 Cb 0.52 0.22 0.00 0.00 -0.00 0.00 0.00 43.42 44.16 1n7t n LEU 8 CO 0.47 0.99 0.00 0.00 -0.00 0.00 0.00 177.39 178.85 1n7t n ALA 9 N -0.31 0.00 -1.36 1.47 0.00 -1.26 -4.89 120.51 114.16 1n7t n ALA 9 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 52.91 1n7t n ALA 9 Cb 0.92 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.26 1n7t n ALA 9 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n7t n LYS 10 N 0.00 0.37 -3.45 0.00 4.76 -1.26 -4.87 118.16 113.70 1n7t n LYS 10 Ca 0.00 0.09 -0.22 0.00 -2.87 0.00 0.00 58.31 55.31 1n7t n LYS 10 Cb 0.00 -1.88 -0.01 0.00 -1.84 0.00 0.00 35.03 31.31 1n7t n LYS 10 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1n7t s GLN 11 N 6.69 3.30 -0.33 1.97 -2.07 -1.26 -5.02 119.66 122.94 1n7t s GLN 11 Ca 1.19 -0.61 -0.00 0.00 -1.82 0.00 0.00 55.36 54.11 1n7t s GLN 11 Cb -1.21 -2.73 0.11 0.00 -1.09 0.00 0.00 33.01 28.10 1n7t s GLN 11 CO 0.56 0.10 0.13 -1.83 -1.32 0.00 0.00 175.29 172.93 1n7t s GLU 12 N -4.26 0.77 0.24 9.60 1.03 -1.26 -4.21 118.70 120.60 1n7t s GLU 12 Ca 0.41 -1.21 0.08 0.00 0.03 0.00 0.00 54.97 54.28 1n7t s GLU 12 Cb -0.10 -1.96 -0.04 0.00 -0.80 0.00 0.00 34.13 31.23 1n7t s GLU 12 CO 0.34 -1.03 0.09 0.96 -1.33 0.00 0.00 175.26 174.28 1n7t s ILE 13 N 1.40 3.96 0.10 1.83 -4.36 -1.06 -4.97 121.20 118.11 1n7t s ILE 13 Ca 0.12 -1.58 0.08 0.00 -0.26 0.00 0.00 60.65 59.00 1n7t s ILE 13 Cb -0.19 -3.11 -0.04 0.00 1.25 0.00 0.00 42.46 40.38 1n7t s ILE 13 CO -0.20 -0.31 -0.18 -0.13 0.24 0.00 0.00 174.94 174.36 1n7t s ARG 14 N -3.61 1.87 0.01 0.37 0.52 -1.26 -1.54 118.95 115.31 1n7t s ARG 14 Ca 0.31 -1.12 0.01 0.00 -0.52 0.00 0.00 55.73 54.41 1n7t s ARG 14 Cb -0.08 -2.14 -0.01 0.00 0.52 0.00 0.00 34.95 33.25 1n7t s ARG 14 CO 0.22 0.50 -0.02 0.14 0.02 0.00 0.00 175.30 176.16 1n7t s VAL 15 N -1.09 0.15 -0.25 3.52 -7.23 -0.14 -4.97 120.40 110.39 1n7t s VAL 15 Ca 0.17 -0.28 -0.08 0.00 -1.81 0.00 0.00 61.98 59.98 1n7t s VAL 15 Cb -0.11 -0.17 -0.03 0.00 0.56 0.00 0.00 36.38 36.63 1n7t s VAL 15 CO 0.09 -0.09 0.09 -0.13 -0.31 0.00 0.00 175.10 174.75 1n7t s ARG 16 N -0.39 3.71 -0.30 4.82 0.52 -1.25 -1.25 118.95 124.81 1n7t s ARG 16 Ca -0.03 -0.45 -0.05 0.00 -0.52 0.00 0.00 55.73 54.68 1n7t s ARG 16 Cb -0.03 -3.37 0.03 0.00 0.52 0.00 0.00 34.95 32.10 1n7t s ARG 16 CO -0.00 -0.17 0.05 0.08 0.02 0.00 0.00 175.30 175.27 1n7t s VAL 17 N 1.60 3.55 -0.26 3.52 1.01 -0.44 -4.85 120.40 124.53 1n7t s VAL 17 Ca 0.06 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 60.86 1n7t s VAL 17 Cb -0.15 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 1n7t s VAL 17 CO 0.05 0.01 0.65 -1.61 0.00 0.00 0.00 175.10 174.20 1n7t s GLU 18 N 1.40 4.08 -0.21 2.72 2.02 -1.25 -1.17 118.70 126.29 1n7t s GLU 18 Ca -0.00 0.55 -0.29 0.00 0.02 0.00 0.00 54.97 55.25 1n7t s GLU 18 Cb -0.18 -3.66 -0.01 0.00 0.10 0.00 0.00 34.13 30.38 1n7t s GLU 18 CO 0.01 -0.45 1.30 0.15 0.02 0.00 0.00 175.26 176.28 1n7t s LYS 19 N 2.57 4.10 -0.38 1.61 1.02 0.50 -4.76 119.74 124.40 1n7t s LYS 19 Ca 0.27 1.53 -0.02 0.00 0.02 0.00 0.00 55.97 57.77 1n7t s LYS 19 Cb -0.15 -3.82 0.19 0.00 -0.52 0.00 0.00 37.83 33.52 1n7t s LYS 19 CO 0.09 -0.88 0.90 0.34 -0.92 0.00 0.00 175.35 174.87 1n7t s ASP 20 N 2.40 -0.80 0.34 2.83 -1.08 -1.26 -4.63 116.67 114.47 1n7t s ASP 20 Ca 0.56 -0.57 0.24 0.00 -0.52 0.00 0.00 52.55 52.26 1n7t s ASP 20 Cb -0.20 1.04 0.41 0.00 -1.46 0.00 0.00 42.92 42.71 1n7t s ASP 20 CO 0.18 -0.07 1.57 -0.65 0.52 0.00 0.00 175.17 176.72 1n7t h PRO 21 N 5.59 0.00 0.00 4.34 0.11 -2.05 -3.49 132.00 136.50 1n7t h PRO 21 Ca 0.01 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.80 1n7t h PRO 21 Cb 1.19 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.22 1n7t h PRO 21 CO -0.02 0.00 -0.29 0.39 -0.21 0.00 0.00 178.00 177.87 1n7t n GLU 22 N -2.80 0.43 0.34 1.05 1.02 -1.26 -5.08 120.64 114.34 1n7t n GLU 22 Ca 0.04 -2.09 -0.17 0.00 -0.02 0.00 0.00 57.16 54.92 1n7t n GLU 22 Cb 0.50 1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 33.33 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 -0.71 0.00 -4.62 4.07 -1.93 -3.38 115.31 108.74 1n7t h LEU 23 Ca -0.16 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.78 1n7t h LEU 23 Cb 0.75 0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.67 1n7t h LEU 23 CO 0.25 -0.43 0.00 0.61 -1.08 0.00 0.00 178.44 177.79 1n7t n GLY 24 N -1.12 1.45 3.48 0.83 0.00 -1.26 -4.10 105.19 104.46 1n7t n GLY 24 Ca -0.13 0.00 -0.16 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 -0.00 1.61 -0.12 -1.26 -3.64 117.98 111.97 1n7t s PHE 25 Ca 0.00 0.81 0.00 0.00 -0.05 0.00 0.00 56.93 57.69 1n7t s PHE 25 Cb 0.00 0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 42.81 1n7t s PHE 25 CO 0.00 -0.69 0.05 -1.54 -0.05 0.00 0.00 175.22 172.98 1n7t s SER 26 N -1.78 5.43 0.11 1.98 1.04 -1.00 -5.02 113.70 114.47 1n7t s SER 26 Ca -0.07 0.08 0.10 0.00 0.48 0.00 0.00 55.95 56.54 1n7t s SER 26 Cb -0.00 -1.50 -0.04 0.00 0.10 0.00 0.00 66.02 64.58 1n7t s SER 26 CO 0.01 0.28 -0.24 0.27 0.98 0.00 0.00 173.24 174.54 1n7t s ILE 27 N -1.15 1.98 0.24 -1.02 -4.36 -1.26 -3.26 121.20 112.37 1n7t s ILE 27 Ca 0.21 -1.64 0.02 0.00 -0.26 0.00 0.00 60.65 58.98 1n7t s ILE 27 Cb -0.12 -1.77 -0.01 0.00 1.25 0.00 0.00 42.46 41.81 1n7t s ILE 27 CO 0.12 0.02 0.27 -1.20 0.24 0.00 0.00 174.94 174.39 1n7t n SER 28 N 1.01 -0.74 0.00 4.36 7.64 -0.53 -4.93 113.62 120.43 1n7t n SER 28 Ca -0.19 -2.40 0.00 0.00 1.01 0.00 0.00 58.87 57.29 1n7t n SER 28 Cb 0.53 1.48 0.00 0.00 -1.01 0.00 0.00 64.21 65.22 1n7t n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n7t n GLY 29 N -0.42 -0.04 0.00 0.23 0.00 -1.24 -2.45 105.19 101.27 1n7t n GLY 29 Ca 0.03 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 1.44 3.56 -0.02 0.00 0.19 -3.92 105.19 106.44 1n7t n GLY 30 Ca 0.00 -1.86 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.75 3.73 0.00 1.61 1.01 0.16 -2.76 120.40 121.39 1n7t s VAL 31 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1n7t s VAL 31 Cb 0.00 -4.68 0.00 0.00 0.00 0.00 0.00 36.38 31.70 1n7t s VAL 31 CO 0.00 -1.59 0.00 0.61 0.00 0.00 0.00 175.10 174.12 1n7t n GLY 32 N 6.60 0.92 0.00 4.51 0.00 -1.26 -4.43 105.19 111.52 1n7t n GLY 32 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.96 -0.32 0.24 -0.02 0.00 -1.11 -4.92 105.19 97.09 1n7t n GLY 33 Ca 0.00 -1.71 0.09 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.89 -3.48 114.38 113.70 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 0.16 0.00 0.41 -1.07 0.00 0.00 179.97 179.47 1n7t n GLY 35 N -0.85 -0.21 3.23 0.04 0.00 -1.26 -4.90 105.19 101.24 1n7t n GLY 35 Ca -0.02 -1.74 -0.24 0.00 0.00 0.00 0.00 46.02 44.01 1n7t n GLY 35 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1n7t s ASN 36 N -2.29 2.30 0.00 1.61 0.01 -1.26 -3.72 114.94 111.59 1n7t s ASN 36 Ca 0.00 -0.50 0.24 0.00 -0.71 0.00 0.00 52.86 51.89 1n7t s ASN 36 Cb 0.00 -0.19 1.22 0.00 0.41 0.00 0.00 41.25 42.69 1n7t s ASN 36 CO 0.00 0.14 1.81 -0.81 -1.51 0.00 0.00 177.10 176.73 1n7t n PRO 37 N 1.90 1.26 -0.13 -0.60 -0.04 -1.26 -3.81 135.00 132.32 1n7t n PRO 37 Ca -0.17 -0.39 -0.18 0.00 -0.04 0.00 0.00 63.50 62.72 1n7t n PRO 37 Cb 0.54 -1.39 -0.12 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.45 0.00 -3.25 0.54 3.01 -1.26 -4.94 117.46 111.11 1n7t n PHE 38 Ca 0.18 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.25 1n7t n PHE 38 Cb 0.18 -1.00 -0.06 0.00 -0.01 0.00 0.00 39.48 38.59 1n7t n PHE 38 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 1n7t s ARG 39 N -2.52 4.33 0.17 -1.08 1.04 -1.25 -4.98 118.95 114.66 1n7t s ARG 39 Ca -0.34 0.51 0.20 0.00 -1.04 0.00 0.00 55.73 55.07 1n7t s ARG 39 Cb 0.09 -3.46 -0.03 0.00 -2.04 0.00 0.00 34.95 29.51 1n7t s ARG 39 CO 0.61 0.08 1.02 -1.00 -0.04 0.00 0.00 175.30 175.97 1n7t h PRO 40 N 6.88 0.00 0.00 3.89 0.13 -1.92 -3.42 132.00 137.56 1n7t h PRO 40 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1n7t h PRO 40 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1n7t h PRO 40 CO 0.75 0.12 -0.10 -0.40 -0.23 0.00 0.00 178.00 178.15 1n7t n ASP 41 N -2.80 0.00 -4.61 1.44 5.68 -1.26 -5.10 116.55 109.90 1n7t n ASP 41 Ca -0.03 -1.20 -0.41 0.00 -0.50 0.00 0.00 54.79 52.65 1n7t n ASP 41 Cb 0.66 -0.04 -0.07 0.00 -1.14 0.00 0.00 41.12 40.53 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 -0.20 6.51 -0.33 -1.12 -1.08 -1.26 -4.96 116.67 114.23 1n7t s ASP 42 Ca 0.00 0.49 -0.01 0.00 -0.52 0.00 0.00 52.55 52.51 1n7t s ASP 42 Cb 0.00 -2.33 0.20 0.00 -1.46 0.00 0.00 42.92 39.33 1n7t s ASP 42 CO 0.00 -0.45 2.07 -0.90 0.52 0.00 0.00 175.17 176.41 1n7t n ASP 43 N 5.83 6.48 0.00 -0.34 5.68 -1.26 -4.79 116.55 128.15 1n7t n ASP 43 Ca -0.01 -3.08 0.00 0.00 -0.50 0.00 0.00 54.79 51.20 1n7t n ASP 43 Cb 0.49 -1.07 0.00 0.00 -1.14 0.00 0.00 41.12 39.40 1n7t n ASP 43 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n7t n GLY 44 N 0.38 4.20 3.24 6.12 0.00 -1.26 -4.05 105.19 113.82 1n7t n GLY 44 Ca 0.31 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.08 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 1.95 1.83 0.06 -0.61 -1.09 -1.26 0.57 121.20 122.66 1n7t s ILE 45 Ca 0.00 -0.97 0.05 0.00 -2.23 0.00 0.00 60.65 57.50 1n7t s ILE 45 Cb 0.00 -1.54 -0.03 0.00 -1.58 0.00 0.00 42.46 39.31 1n7t s ILE 45 CO 0.00 0.52 -0.15 -0.36 -1.23 0.00 0.00 174.94 173.72 1n7t s PHE 46 N -0.33 1.28 -1.17 3.97 0.40 -1.02 -1.28 117.98 119.83 1n7t s PHE 46 Ca 0.03 -0.43 -0.10 0.00 -0.60 0.00 0.00 56.93 55.83 1n7t s PHE 46 Cb -0.11 -0.73 0.23 0.00 0.51 0.00 0.00 43.02 42.92 1n7t s PHE 46 CO 0.01 0.07 1.41 0.28 0.70 0.00 0.00 175.22 177.68 1n7t n VAL 47 N 1.44 4.53 -0.34 -0.44 0.31 -0.94 -1.46 118.33 121.43 1n7t n VAL 47 Ca -0.20 -5.06 -0.00 0.00 -0.01 0.00 0.00 64.34 59.06 1n7t n VAL 47 Cb 0.54 -2.44 0.05 0.00 -0.91 0.00 0.00 33.84 31.08 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 3.32 -0.46 -3.83 2.52 5.66 -1.20 -2.20 114.28 118.09 1n7t n THR 48 Ca 0.32 2.09 -0.09 0.00 -3.05 0.00 0.00 64.05 63.31 1n7t n THR 48 Cb 0.39 -2.77 0.01 0.00 -1.55 0.00 0.00 70.33 66.42 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 -5.87 2.17 0.06 1.09 1.70 -1.26 -4.05 118.95 112.78 1n7t s ARG 49 Ca -0.12 -1.42 0.05 0.00 -0.47 0.00 0.00 55.73 53.77 1n7t s ARG 49 Cb 0.19 0.61 -0.03 0.00 -0.57 0.00 0.00 34.95 35.15 1n7t s ARG 49 CO 0.64 -1.01 -0.15 0.08 -1.08 0.00 0.00 175.30 173.79 1n7t s VAL 50 N -2.53 1.15 -0.03 4.99 1.01 -1.26 -2.37 120.40 121.37 1n7t s VAL 50 Ca 0.16 -1.18 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 1n7t s VAL 50 Cb -0.05 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1n7t s VAL 50 CO 0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 175.10 175.05 1n7t n GLN 51 N 1.55 0.10 -2.69 2.72 1.13 -1.24 -4.92 117.38 114.03 1n7t n GLN 51 Ca -0.20 0.15 -0.43 0.00 -1.94 0.00 0.00 57.00 54.58 1n7t n GLN 51 Cb 0.54 -0.78 -0.02 0.00 0.11 0.00 0.00 30.24 30.09 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 -1.32 4.31 -1.52 -1.09 0.04 -1.26 -4.94 135.00 129.22 1n7t s PRO 52 Ca -0.04 1.34 -0.12 0.00 0.04 0.00 0.00 61.00 62.21 1n7t s PRO 52 Cb 0.01 -3.61 -0.03 0.00 0.04 0.00 0.00 34.50 30.91 1n7t s PRO 52 CO 0.07 -0.51 2.60 0.39 0.04 0.00 0.00 177.00 179.58 1n7t n GLU 53 N 5.84 3.24 0.07 4.56 1.02 -1.26 -4.16 120.64 129.95 1n7t n GLU 53 Ca 0.10 -2.36 0.00 0.00 -0.02 0.00 0.00 57.16 54.89 1n7t n GLU 53 Cb 0.47 -3.01 0.00 0.00 -0.02 0.00 0.00 31.44 28.88 1n7t n GLU 53 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1n7t n GLY 54 N 3.84 -1.66 0.00 0.62 0.00 -1.26 -4.93 105.19 101.81 1n7t n GLY 54 Ca 0.65 0.38 0.00 0.00 0.00 0.00 0.00 46.02 47.05 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 -2.77 0.00 -2.16 1.61 -0.04 -1.26 -4.07 135.00 126.31 1n7t n PRO 55 Ca 0.00 0.36 -0.31 0.00 -0.04 0.00 0.00 63.50 63.51 1n7t n PRO 55 Cb 0.00 -1.31 0.02 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.52 5.62 -0.09 0.55 0.00 -1.26 -4.64 120.51 119.17 1n7t n ALA 56 Ca 0.00 -4.13 -0.18 0.00 0.00 0.00 0.00 53.44 49.13 1n7t n ALA 56 Cb 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 18.33 1n7t n ALA 56 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1n7t n SER 57 N -0.56 1.20 -0.00 0.00 3.41 -1.26 -4.20 113.62 112.21 1n7t n SER 57 Ca 0.46 0.21 0.14 0.00 -0.26 0.00 0.00 58.87 59.42 1n7t n SER 57 Cb 0.57 -0.50 0.61 0.00 -0.26 0.00 0.00 64.21 64.62 1n7t n SER 57 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1n7t n LYS 58 N -3.77 0.00 -0.10 4.33 4.76 -1.26 -4.16 118.16 117.97 1n7t n LYS 58 Ca -0.33 -0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 54.97 1n7t n LYS 58 Cb 0.74 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.37 1n7t n LYS 58 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1n7t n LEU 59 N -1.50 1.90 -4.86 -0.35 4.32 -1.26 -4.97 117.00 110.27 1n7t n LEU 59 Ca 0.07 0.42 -0.34 0.00 -0.02 0.00 0.00 56.01 56.14 1n7t n LEU 59 Cb 0.34 -0.82 -0.05 0.00 -1.62 0.00 0.00 43.42 41.27 1n7t n LEU 59 CO 0.27 -0.08 0.14 -0.76 -1.22 0.00 0.00 177.39 175.74 1n7t s LEU 60 N -7.90 4.31 -0.04 2.23 1.43 -1.26 -5.05 118.68 112.40 1n7t s LEU 60 Ca -0.27 0.87 0.03 0.00 -1.03 0.00 0.00 54.13 53.73 1n7t s LEU 60 Cb 0.06 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 1n7t s LEU 60 CO 0.41 0.10 -0.11 -1.10 0.23 0.00 0.00 176.35 175.88 1n7t s GLN 61 N -2.13 2.57 0.09 1.70 -0.21 -1.26 -4.62 119.66 115.80 1n7t s GLN 61 Ca 0.37 -0.66 -0.33 0.00 0.02 0.00 0.00 55.36 54.76 1n7t s GLN 61 Cb -0.14 -2.46 -0.12 0.00 1.00 0.00 0.00 33.01 31.29 1n7t s GLN 61 CO 0.19 0.63 1.75 -2.30 -2.12 0.00 0.00 175.29 173.45 1n7t n PRO 62 N 2.14 2.42 -0.38 2.91 -0.02 -1.26 -2.19 135.00 138.62 1n7t n PRO 62 Ca -0.17 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1n7t n PRO 62 Cb 0.52 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 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 3.98 0.77 3.92 -1.23 0.00 -0.93 -4.99 105.19 106.70 1n7t n GLY 63 Ca 0.19 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.37 6.41 -0.24 1.61 1.11 -0.93 -4.88 116.67 117.38 1n7t s ASP 64 Ca 0.00 0.60 -0.10 0.00 0.18 0.00 0.00 52.55 53.23 1n7t s ASP 64 Cb 0.00 -2.09 -0.05 0.00 1.07 0.00 0.00 42.92 41.85 1n7t s ASP 64 CO 0.00 -0.17 0.16 -0.75 1.18 0.00 0.00 175.17 175.58 1n7t s LYS 65 N -3.60 4.08 -0.25 8.23 2.20 -1.24 -2.22 119.74 126.94 1n7t s LYS 65 Ca 0.42 -0.27 -0.20 0.00 -0.36 0.00 0.00 55.97 55.56 1n7t s LYS 65 Cb -0.11 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.67 1n7t s LYS 65 CO 0.31 0.09 0.62 0.42 -0.36 0.00 0.00 175.35 176.42 1n7t s ILE 66 N 0.98 5.00 -0.21 5.43 1.01 -0.40 -2.40 121.20 130.62 1n7t s ILE 66 Ca 0.07 1.12 -0.04 0.00 0.00 0.00 0.00 60.65 61.81 1n7t s ILE 66 Cb -0.13 -3.93 -0.20 0.00 0.01 0.00 0.00 42.46 38.21 1n7t s ILE 66 CO 0.04 0.04 0.00 -0.38 0.00 0.00 0.00 174.94 174.65 1n7t n ILE 67 N 5.12 1.60 -3.77 2.92 2.08 -0.14 -4.40 119.36 122.77 1n7t n ILE 67 Ca -0.01 -0.56 -0.12 0.00 0.56 0.00 0.00 62.75 62.62 1n7t n ILE 67 Cb 0.49 -1.61 -0.08 0.00 -0.75 0.00 0.00 39.64 37.70 1n7t n ILE 67 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 1n7t s GLN 68 N -2.52 0.77 -0.07 0.38 -0.44 -1.24 -1.05 119.66 115.48 1n7t s GLN 68 Ca -0.30 -0.46 -0.03 0.00 -2.50 0.00 0.00 55.36 52.07 1n7t s GLN 68 Cb 0.08 0.33 0.04 0.00 -1.64 0.00 0.00 33.01 31.83 1n7t s GLN 68 CO 0.65 -0.24 0.13 0.00 0.50 0.00 0.00 175.29 176.33 1n7t s ALA 69 N -2.31 -0.09 -1.46 1.58 0.00 0.12 -0.46 121.76 119.15 1n7t s ALA 69 Ca -0.07 0.49 -0.18 0.00 0.00 0.00 0.00 51.96 52.21 1n7t s ALA 69 Cb -0.02 -0.64 0.17 0.00 0.00 0.00 0.00 23.12 22.63 1n7t s ALA 69 CO -0.02 -0.41 0.50 0.09 0.00 0.00 0.00 175.76 175.92 1n7t n ASN 70 N 4.96 -2.00 0.00 0.00 4.13 -0.95 0.83 115.26 122.22 1n7t n ASN 70 Ca -0.12 -0.82 0.00 0.00 1.68 0.00 0.00 54.58 55.33 1n7t n ASN 70 Cb 0.50 -1.74 0.00 0.00 -1.54 0.00 0.00 39.78 37.00 1n7t n ASN 70 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1n7t n GLY 71 N -1.00 2.48 3.65 7.41 0.00 -1.26 -5.04 105.19 111.43 1n7t n GLY 71 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.47 3.34 0.12 1.61 2.02 0.24 -5.04 117.35 117.17 1n7t s TYR 72 Ca 0.00 0.76 -0.31 0.00 -0.37 0.00 0.00 57.07 57.16 1n7t s TYR 72 Cb 0.00 -2.72 -0.07 0.00 -0.40 0.00 0.00 41.96 38.77 1n7t s TYR 72 CO 0.00 -0.18 1.28 -1.12 -1.57 0.00 0.00 175.55 173.96 1n7t s SER 73 N 1.29 6.96 -0.09 2.29 0.01 -1.26 -0.70 113.70 122.19 1n7t s SER 73 Ca 0.24 2.22 0.16 0.00 1.31 0.00 0.00 55.95 59.88 1n7t s SER 73 Cb -0.16 -2.59 0.56 0.00 0.21 0.00 0.00 66.02 64.05 1n7t s SER 73 CO 0.09 -0.53 1.48 0.49 0.41 0.00 0.00 173.24 175.19 1n7t n PHE 74 N 3.52 1.07 -3.28 2.43 3.01 -0.22 -4.93 117.46 119.06 1n7t n PHE 74 Ca 0.09 -0.63 -0.39 0.00 1.01 0.00 0.00 57.45 57.53 1n7t n PHE 74 Cb 0.44 -0.19 -0.07 0.00 -0.01 0.00 0.00 39.48 39.66 1n7t n PHE 74 CO 0.00 0.00 0.00 -1.50 1.01 0.00 0.00 176.76 176.27 1n7t s ILE 75 N -1.79 5.14 -0.67 4.37 1.10 -1.24 -4.43 121.20 123.68 1n7t s ILE 75 Ca 0.41 0.93 -0.01 0.00 -0.51 0.00 0.00 60.65 61.47 1n7t s ILE 75 Cb 0.27 -3.82 0.00 0.00 0.15 0.00 0.00 42.46 39.06 1n7t s ILE 75 CO 0.19 0.23 0.65 0.59 -2.11 0.00 0.00 174.94 174.49 1n7t n ASN 76 N 4.40 -7.39 -3.91 4.50 3.02 -1.26 -5.06 115.26 109.57 1n7t n ASN 76 Ca -0.06 -0.04 -0.09 0.00 -0.03 0.00 0.00 54.58 54.36 1n7t n ASN 76 Cb 0.51 -5.01 -0.07 0.00 -0.61 0.00 0.00 39.78 34.60 1n7t n ASN 76 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1n7t s ILE 77 N -2.98 0.07 0.28 2.41 -4.36 -1.26 -5.01 121.20 110.35 1n7t s ILE 77 Ca 0.01 -1.26 -0.26 0.00 -0.26 0.00 0.00 60.65 58.89 1n7t s ILE 77 Cb -0.00 -1.71 -0.09 0.00 1.25 0.00 0.00 42.46 41.90 1n7t s ILE 77 CO 0.70 -0.33 0.89 -1.61 0.24 0.00 0.00 174.94 174.83 1n7t s GLU 78 N -3.94 4.58 0.16 0.37 2.02 -1.26 0.39 118.70 121.03 1n7t s GLU 78 Ca 0.14 1.27 -0.20 0.00 0.02 0.00 0.00 54.97 56.19 1n7t s GLU 78 Cb 0.03 -2.95 0.07 0.00 0.10 0.00 0.00 34.13 31.38 1n7t s GLU 78 CO -0.02 0.37 1.64 1.25 0.02 0.00 0.00 175.26 178.52 1n7t h HIS 79 N 3.51 -0.52 -0.52 1.61 2.76 -1.79 -0.49 115.15 119.72 1n7t h HIS 79 Ca -0.47 0.04 0.15 0.00 -2.20 0.00 0.00 60.37 57.89 1n7t h HIS 79 Cb 1.19 0.28 -0.02 0.00 1.55 0.00 0.00 27.41 30.41 1n7t h HIS 79 CO 0.62 -0.28 0.44 0.78 -1.30 0.00 0.00 177.93 178.19 1n7t h GLY 80 N -0.16 0.00 1.29 5.26 0.00 -1.93 0.11 103.07 107.64 1n7t h GLY 80 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.27 1n7t h GLY 80 CO -0.43 0.00 -0.86 -1.61 0.00 0.00 0.00 176.54 173.64 1n7t h GLN 81 N 0.00 0.67 0.26 4.80 5.75 -1.49 -2.57 115.11 122.53 1n7t h GLN 81 Ca 0.25 -0.61 -0.01 0.00 -0.15 0.00 0.00 58.65 58.13 1n7t h GLN 81 Cb 1.12 0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.82 1n7t h GLN 81 CO -0.00 1.22 -0.12 0.00 -2.65 0.00 0.00 178.83 177.27 1n7t h ALA 82 N 0.59 -0.35 -0.69 3.38 0.00 -0.42 -2.33 119.26 119.45 1n7t h ALA 82 Ca -0.07 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1n7t h ALA 82 Cb 1.49 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.37 1n7t h ALA 82 CO 0.17 -0.54 0.43 0.28 0.00 0.00 0.00 179.25 179.59 1n7t h VAL 83 N -0.67 1.08 -0.85 0.00 2.07 -1.41 -2.01 116.25 114.46 1n7t h VAL 83 Ca -0.04 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1n7t h VAL 83 Cb 0.47 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 1n7t h VAL 83 CO 0.06 0.15 0.54 -1.28 0.02 0.00 0.00 177.57 177.06 1n7t h SER 84 N 0.84 1.00 -0.27 0.57 0.87 -1.48 -1.68 113.55 113.40 1n7t h SER 84 Ca 0.28 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 1n7t h SER 84 Cb 0.03 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1n7t h SER 84 CO -0.11 0.75 0.04 -0.07 -0.53 0.00 0.00 176.83 176.91 1n7t h LEU 85 N 1.17 0.44 -0.95 2.23 3.38 -0.95 -2.68 115.31 117.95 1n7t h LEU 85 Ca 0.31 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1n7t h LEU 85 Cb -0.09 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1n7t h LEU 85 CO -0.06 0.58 0.25 -0.07 0.09 0.00 0.00 178.44 179.24 1n7t h LEU 86 N 0.27 0.94 -0.58 1.67 3.38 -1.17 -2.86 115.31 116.97 1n7t h LEU 86 Ca 0.08 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1n7t h LEU 86 Cb 0.33 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1n7t h LEU 86 CO 0.01 0.85 -0.03 0.11 0.09 0.00 0.00 178.44 179.47 1n7t h LYS 87 N 1.00 1.04 0.00 1.13 1.79 -1.24 -3.16 116.57 117.13 1n7t h LYS 87 Ca 0.23 -0.35 -0.10 0.00 -2.18 0.00 0.00 60.65 58.25 1n7t h LYS 87 Cb 0.22 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1n7t h LYS 87 CO -0.02 1.04 -0.48 0.00 -1.08 0.00 0.00 179.45 178.92 1n7t h THR 88 N 0.94 1.13 -1.93 -0.16 1.03 -1.34 -3.46 112.91 109.12 1n7t h THR 88 Ca 0.16 -1.78 -0.35 0.00 -0.01 0.00 0.00 66.41 64.43 1n7t h THR 88 Cb 0.59 2.02 0.19 0.00 -1.07 0.00 0.00 68.15 69.88 1n7t h THR 88 CO 0.04 0.47 -0.99 0.49 -0.01 0.00 0.00 175.52 175.52 1n7t n PHE 89 N -3.66 -1.77 -0.01 0.00 3.72 -1.09 -5.05 117.46 109.60 1n7t n PHE 89 Ca -0.01 0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 1n7t n PHE 89 Cb 0.55 -1.46 0.00 0.00 -0.94 0.00 0.00 39.48 37.64 1n7t n PHE 89 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1n7t n GLN 90 N -1.18 3.60 -0.05 -1.08 3.00 -1.26 -5.05 117.38 115.36 1n7t n GLN 90 Ca 0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.00 1n7t n GLN 90 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.76 1n7t n GLN 90 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 1n7t h ASN 91 N 0.00 0.00 -3.37 1.08 4.21 -1.89 -3.43 115.58 112.18 1n7t h ASN 91 Ca 0.00 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 56.95 1n7t h ASN 91 Cb 0.00 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.16 1n7t h ASN 91 CO 0.00 0.46 0.23 0.42 -1.29 0.00 0.00 177.43 177.25 1n7t s THR 92 N -1.59 4.96 -0.16 2.81 -4.23 -1.25 -0.37 115.64 115.82 1n7t s THR 92 Ca -0.03 1.67 0.01 0.00 -1.18 0.00 0.00 61.69 62.16 1n7t s THR 92 Cb 0.00 -4.15 0.02 0.00 1.34 0.00 0.00 72.50 69.72 1n7t s THR 92 CO 0.05 0.19 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.46 1n7t s VAL 93 N 1.07 1.70 -0.85 2.29 1.01 -0.32 -4.87 120.40 120.43 1n7t s VAL 93 Ca 0.42 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 1n7t s VAL 93 Cb -0.19 -1.58 0.15 0.00 0.00 0.00 0.00 36.38 34.76 1n7t s VAL 93 CO 0.20 0.48 0.98 -1.61 0.00 0.00 0.00 175.10 175.16 1n7t s GLU 94 N 1.41 3.51 0.29 2.72 0.41 -1.25 -1.32 118.70 124.47 1n7t s GLU 94 Ca 0.04 -1.83 -0.04 0.00 -0.41 0.00 0.00 54.97 52.73 1n7t s GLU 94 Cb -0.13 -4.69 -0.05 0.00 -1.78 0.00 0.00 34.13 27.48 1n7t s GLU 94 CO -0.11 -1.63 0.55 -0.51 -0.49 0.00 0.00 175.26 173.07 1n7t s LEU 95 N 2.16 4.05 -0.14 1.80 1.43 -0.38 -2.25 118.68 125.35 1n7t s LEU 95 Ca 0.26 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 1n7t s LEU 95 Cb -0.09 -3.51 -0.01 0.00 0.03 0.00 0.00 46.19 42.62 1n7t s LEU 95 CO -0.06 -0.20 -0.14 -0.63 0.23 0.00 0.00 176.35 175.54 1n7t s ILE 96 N -2.11 2.83 0.27 -0.59 1.01 0.39 -0.96 121.20 122.04 1n7t s ILE 96 Ca 0.43 -0.72 0.09 0.00 0.00 0.00 0.00 60.65 60.45 1n7t s ILE 96 Cb -0.11 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 1n7t s ILE 96 CO 0.31 0.52 -0.12 0.27 0.00 0.00 0.00 174.94 175.91 1n7t s ILE 97 N 0.63 1.95 -0.00 2.92 -4.36 -0.59 -0.97 121.20 120.78 1n7t s ILE 97 Ca -0.08 -2.23 0.01 0.00 -0.26 0.00 0.00 60.65 58.10 1n7t s ILE 97 Cb -0.16 -2.33 -0.00 0.00 1.25 0.00 0.00 42.46 41.22 1n7t s ILE 97 CO 0.03 -0.39 -0.04 -0.69 0.24 0.00 0.00 174.94 174.08 1n7t s VAL 98 N -2.82 0.33 -0.37 8.37 1.01 -1.01 -2.56 120.40 123.36 1n7t s VAL 98 Ca 0.28 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 1n7t s VAL 98 Cb 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 36.38 36.16 1n7t s VAL 98 CO 0.12 0.10 0.15 -0.13 0.00 0.00 0.00 175.10 175.34 1n7t s ARG 99 N -0.08 2.44 0.21 2.72 3.00 -1.26 -3.73 118.95 122.25 1n7t s ARG 99 Ca 0.01 -1.42 -0.32 0.00 0.00 0.00 0.00 55.73 54.01 1n7t s ARG 99 Cb -0.02 -3.53 -0.12 0.00 0.00 0.00 0.00 34.95 31.28 1n7t s ARG 99 CO -0.00 -0.83 1.72 -1.21 0.00 0.00 0.00 175.30 174.98 1n7t s GLU 100 N 1.32 4.12 0.23 3.54 0.41 -1.26 -4.38 118.70 122.69 1n7t s GLU 100 Ca 0.01 2.61 0.01 0.00 -0.41 0.00 0.00 54.97 57.19 1n7t s GLU 100 Cb -0.21 -3.07 -0.04 0.00 -1.78 0.00 0.00 34.13 29.03 1n7t s GLU 100 CO 0.00 -0.75 0.40 0.14 -0.49 0.00 0.00 175.26 174.56 1n7t s VAL 101 N 1.16 5.21 -0.29 2.63 -7.23 -1.26 -5.05 120.40 115.57 1n7t s VAL 101 Ca 0.75 -0.57 0.02 0.00 -1.81 0.00 0.00 61.98 60.37 1n7t s VAL 101 Cb -0.50 -3.79 0.20 0.00 0.56 0.00 0.00 36.38 32.85 1n7t s VAL 101 CO 0.32 -0.28 0.67 -0.94 -0.31 0.00 0.00 175.10 174.56 1n7t s SER 102 N -3.53 -1.40 0.00 4.85 1.04 -1.26 -5.01 113.70 108.39 1n7t s SER 102 Ca 0.37 0.29 0.00 0.00 0.48 0.00 0.00 55.95 57.09 1n7t s SER 102 Cb -0.10 1.94 0.00 0.00 0.10 0.00 0.00 66.02 67.95 1n7t s SER 102 CO 0.30 -0.26 0.00 -0.24 0.98 0.00 0.00 173.24 174.03