#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n7t n SER 2 N 0.00 -1.12 -4.86 1.61 2.88 -1.26 -5.13 113.62 105.73 1n7t n SER 2 Ca 0.00 -2.03 -0.35 0.00 -1.33 0.00 0.00 58.87 55.16 1n7t n SER 2 Cb 0.00 0.41 -0.05 0.00 -0.75 0.00 0.00 64.21 63.82 1n7t n SER 2 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1n7t s HIS 3 N 0.04 3.58 0.16 0.66 4.02 -1.26 -5.09 115.29 117.40 1n7t s HIS 3 Ca 0.03 0.83 -0.05 0.00 1.02 0.00 0.00 55.06 56.88 1n7t s HIS 3 Cb 0.14 -2.19 -0.06 0.00 -1.02 0.00 0.00 32.58 29.45 1n7t s HIS 3 CO -0.04 0.50 0.40 0.00 1.02 0.00 0.00 174.74 176.62 1n7t s MET 4 N -1.93 3.63 -0.20 1.40 0.00 -1.26 -4.73 119.30 116.21 1n7t s MET 4 Ca 0.34 -0.06 -0.07 0.00 0.00 0.00 0.00 55.69 55.91 1n7t s MET 4 Cb -0.14 -2.82 0.01 0.00 0.00 0.00 0.00 34.83 31.88 1n7t s MET 4 CO 0.18 0.44 0.27 0.41 0.00 0.00 0.00 175.02 176.33 1n7t n GLY 5 N 0.01 -0.96 1.41 3.16 0.00 -1.26 -5.03 105.19 102.52 1n7t n GLY 5 Ca -0.02 0.49 -0.04 0.00 0.00 0.00 0.00 46.02 46.45 1n7t n GLY 5 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1n7t n HIS 6 N -0.47 -0.56 -2.61 1.61 -0.00 -1.26 -5.02 115.22 106.92 1n7t n HIS 6 Ca 0.05 -0.69 -0.41 0.00 -0.00 0.00 0.00 57.72 56.67 1n7t n HIS 6 Cb 0.23 0.75 0.02 0.00 -0.00 0.00 0.00 29.99 30.98 1n7t n HIS 6 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1n7t n GLU 7 N -0.42 5.20 -3.74 -1.40 4.71 -1.26 -4.92 120.64 118.80 1n7t n GLU 7 Ca -0.18 -4.49 -0.12 0.00 -0.01 0.00 0.00 57.16 52.36 1n7t n GLU 7 Cb 0.65 -2.50 -0.11 0.00 -1.01 0.00 0.00 31.44 28.46 1n7t n GLU 7 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1n7t s LEU 8 N -3.80 0.54 -1.21 -4.62 1.43 -1.26 -5.08 118.68 104.68 1n7t s LEU 8 Ca 0.40 0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 54.06 1n7t s LEU 8 Cb 0.17 1.07 0.20 0.00 0.03 0.00 0.00 46.19 47.66 1n7t s LEU 8 CO -0.09 -0.14 1.54 0.00 0.23 0.00 0.00 176.35 177.89 1n7t n ALA 9 N 3.43 4.55 -4.05 4.21 0.00 -1.26 -4.93 120.51 122.46 1n7t n ALA 9 Ca -0.17 -4.39 -0.17 0.00 0.00 0.00 0.00 53.44 48.71 1n7t n ALA 9 Cb 0.56 -2.87 -0.05 0.00 0.00 0.00 0.00 19.45 17.09 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 4.19 0.49 -3.37 0.00 4.76 -1.26 -1.51 118.16 121.46 1n7t n LYS 10 Ca 0.35 -2.81 -0.15 0.00 -2.87 0.00 0.00 58.31 52.83 1n7t n LYS 10 Cb 0.39 2.47 -0.09 0.00 -1.84 0.00 0.00 35.03 35.97 1n7t n LYS 10 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1n7t s GLN 11 N -3.00 0.35 -0.28 1.97 -0.21 -1.15 -4.92 119.66 112.41 1n7t s GLN 11 Ca 0.32 -0.04 -0.20 0.00 0.02 0.00 0.00 55.36 55.46 1n7t s GLN 11 Cb 0.01 -0.56 -0.01 0.00 1.00 0.00 0.00 33.01 33.44 1n7t s GLN 11 CO 0.23 -1.02 0.62 -2.00 -2.12 0.00 0.00 175.29 171.00 1n7t s GLU 12 N 2.42 3.99 0.04 2.91 -6.30 -1.26 -2.32 118.70 118.18 1n7t s GLU 12 Ca 0.09 0.40 -0.00 0.00 -2.50 0.00 0.00 54.97 52.96 1n7t s GLU 12 Cb -0.13 -3.69 -0.03 0.00 0.00 0.00 0.00 34.13 30.27 1n7t s GLU 12 CO -0.31 -0.50 -0.03 0.96 0.02 0.00 0.00 175.26 175.40 1n7t s ILE 13 N 2.55 0.19 0.37 -3.70 -0.00 -0.87 -5.02 121.20 114.72 1n7t s ILE 13 Ca 0.25 -1.39 0.08 0.00 -0.00 0.00 0.00 60.65 59.59 1n7t s ILE 13 Cb -0.15 -0.94 -0.03 0.00 -0.00 0.00 0.00 42.46 41.35 1n7t s ILE 13 CO 0.10 -0.76 0.32 -0.13 -0.00 0.00 0.00 174.94 174.48 1n7t s ARG 14 N -2.76 2.63 0.03 0.37 1.81 -1.26 -1.13 118.95 118.63 1n7t s ARG 14 Ca -0.04 -1.41 -0.10 0.00 -1.72 0.00 0.00 55.73 52.47 1n7t s ARG 14 Cb -0.01 -2.42 0.01 0.00 -0.45 0.00 0.00 34.95 32.08 1n7t s ARG 14 CO -0.06 -0.03 0.20 0.08 -0.68 0.00 0.00 175.30 174.82 1n7t s VAL 15 N -2.38 0.10 -0.13 3.52 1.01 0.35 -4.96 120.40 117.90 1n7t s VAL 15 Ca 0.44 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 1n7t s VAL 15 Cb -0.05 -0.80 0.03 0.00 0.00 0.00 0.00 36.38 35.56 1n7t s VAL 15 CO 0.27 -0.44 -0.07 -0.60 0.00 0.00 0.00 175.10 174.25 1n7t s ARG 16 N -2.24 1.55 -0.07 2.72 3.00 -1.26 -1.22 118.95 121.43 1n7t s ARG 16 Ca -0.08 -0.35 0.03 0.00 -1.00 0.00 0.00 55.73 54.34 1n7t s ARG 16 Cb -0.03 -1.74 0.01 0.00 0.00 0.00 0.00 34.95 33.19 1n7t s ARG 16 CO -0.02 -0.31 -0.17 0.08 0.00 0.00 0.00 175.30 174.88 1n7t s VAL 17 N 1.67 1.48 -0.01 7.11 1.01 -0.89 -4.92 120.40 125.85 1n7t s VAL 17 Ca 0.04 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1n7t s VAL 17 Cb -0.13 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1n7t s VAL 17 CO -0.08 0.43 0.18 -1.61 0.00 0.00 0.00 175.10 174.02 1n7t s GLU 18 N 0.48 3.44 -1.27 2.72 2.02 -1.26 -0.10 118.70 124.73 1n7t s GLU 18 Ca -0.15 -0.32 -0.14 0.00 0.02 0.00 0.00 54.97 54.39 1n7t s GLU 18 Cb -0.16 -3.10 0.14 0.00 0.10 0.00 0.00 34.13 31.11 1n7t s GLU 18 CO 0.05 0.68 1.69 1.17 0.02 0.00 0.00 175.26 178.87 1n7t n LYS 19 N 0.95 3.34 -3.41 1.61 3.00 0.34 -4.50 118.16 119.49 1n7t n LYS 19 Ca -0.11 -3.53 -0.27 0.00 -0.00 0.00 0.00 58.31 54.40 1n7t n LYS 19 Cb 0.53 -3.13 -0.11 0.00 0.00 0.00 0.00 35.03 32.32 1n7t n LYS 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1n7t s ASP 20 N 2.67 2.13 0.08 3.14 2.15 -1.26 -4.40 116.67 121.17 1n7t s ASP 20 Ca 0.45 -2.51 0.07 0.00 0.43 0.00 0.00 52.55 50.98 1n7t s ASP 20 Cb 0.03 -0.31 -0.22 0.00 -0.30 0.00 0.00 42.92 42.12 1n7t s ASP 20 CO 0.01 -0.24 1.13 1.55 -0.17 0.00 0.00 175.17 177.45 1n7t h PRO 21 N 6.40 0.03 0.00 4.34 0.14 -2.04 -3.49 132.00 137.38 1n7t h PRO 21 Ca 0.15 -0.06 -0.43 0.00 0.14 0.00 0.00 66.00 65.80 1n7t h PRO 21 Cb 0.95 0.02 -0.11 0.00 0.14 0.00 0.00 31.00 32.00 1n7t h PRO 21 CO 0.30 0.93 -0.41 0.39 0.14 0.00 0.00 178.00 179.34 1n7t n GLU 22 N -3.31 0.41 0.39 0.86 1.02 -1.26 -5.09 120.64 113.66 1n7t n GLU 22 Ca -0.05 -2.95 -0.15 0.00 -0.02 0.00 0.00 57.16 53.99 1n7t n GLU 22 Cb 0.97 2.26 -0.07 0.00 -0.02 0.00 0.00 31.44 34.58 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 -0.84 0.00 -4.62 4.07 -1.94 -3.42 115.31 108.56 1n7t h LEU 23 Ca -0.22 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.77 1n7t h LEU 23 Cb 1.06 0.22 0.00 0.00 1.08 0.00 0.00 40.66 43.02 1n7t h LEU 23 CO 0.33 -0.56 0.00 0.61 -1.08 0.00 0.00 178.44 177.74 1n7t n GLY 24 N -1.20 1.51 3.58 0.83 0.00 -1.26 -3.99 105.19 104.67 1n7t n GLY 24 Ca -0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.59 0.07 1.61 -0.12 -1.26 -3.16 117.98 112.53 1n7t s PHE 25 Ca 0.00 1.19 0.01 0.00 -0.05 0.00 0.00 56.93 58.08 1n7t s PHE 25 Cb 0.00 0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 1n7t s PHE 25 CO 0.00 -0.42 0.20 -1.54 -0.05 0.00 0.00 175.22 173.41 1n7t s SER 26 N -0.56 6.26 0.08 1.98 1.04 -1.24 -5.08 113.70 116.19 1n7t s SER 26 Ca -0.04 0.23 0.09 0.00 0.48 0.00 0.00 55.95 56.71 1n7t s SER 26 Cb -0.02 -1.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.16 1n7t s SER 26 CO 0.03 0.16 -0.20 0.27 0.98 0.00 0.00 173.24 174.48 1n7t s ILE 27 N -1.52 2.66 0.04 -1.02 -4.36 -1.26 -3.55 121.20 112.19 1n7t s ILE 27 Ca 0.34 -1.42 0.01 0.00 -0.26 0.00 0.00 60.65 59.32 1n7t s ILE 27 Cb -0.13 -2.16 -0.03 0.00 1.25 0.00 0.00 42.46 41.40 1n7t s ILE 27 CO 0.27 0.21 -0.05 -0.94 0.24 0.00 0.00 174.94 174.68 1n7t s SER 28 N -1.78 0.59 0.00 4.36 1.04 -0.60 -4.96 113.70 112.35 1n7t s SER 28 Ca 0.15 -0.71 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1n7t s SER 28 Cb -0.10 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1n7t s SER 28 CO 0.07 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1n7t n GLY 29 N 0.96 -0.21 0.00 7.32 0.00 -0.56 -1.32 105.19 111.38 1n7t n GLY 29 Ca -0.19 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.65 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 2.74 3.55 -0.02 0.00 0.27 -4.26 105.19 107.47 1n7t n GLY 30 Ca 0.00 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.34 3.63 0.00 1.61 1.01 0.19 -2.77 120.40 121.74 1n7t s VAL 31 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1n7t s VAL 31 Cb 0.00 -4.63 0.00 0.00 0.00 0.00 0.00 36.38 31.75 1n7t s VAL 31 CO 0.00 -1.57 0.00 0.61 0.00 0.00 0.00 175.10 174.14 1n7t n GLY 32 N 5.71 0.90 0.00 4.51 0.00 -1.26 -4.49 105.19 110.55 1n7t n GLY 32 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.20 0.44 0.29 -0.02 0.00 -1.11 -4.94 105.19 97.64 1n7t n GLY 33 Ca 0.00 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.38 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 2.47 -1.88 -3.49 114.38 113.09 1n7t h ARG 34 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1n7t h ARG 34 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1n7t h ARG 34 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.94 1n7t n GLY 35 N -1.44 0.06 2.98 0.04 0.00 -1.26 -5.00 105.19 100.56 1n7t n GLY 35 Ca -0.02 -2.27 -0.14 0.00 0.00 0.00 0.00 46.02 43.59 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 -4.00 0.09 -0.21 1.61 0.01 -1.26 -1.49 114.94 109.69 1n7t s ASN 36 Ca 0.00 0.46 0.06 0.00 -0.71 0.00 0.00 52.86 52.67 1n7t s ASN 36 Cb 0.00 0.41 0.46 0.00 0.41 0.00 0.00 41.25 42.53 1n7t s ASN 36 CO 0.00 -0.19 1.41 -0.81 -1.51 0.00 0.00 177.10 176.00 1n7t n PRO 37 N 4.68 2.65 0.00 -0.60 -0.04 -1.26 -4.21 135.00 136.22 1n7t n PRO 37 Ca -0.18 -1.91 0.00 0.00 -0.04 0.00 0.00 63.50 61.38 1n7t n PRO 37 Cb 0.51 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 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 -0.04 0.00 -4.84 0.54 3.72 -1.26 -5.06 117.46 110.52 1n7t n PHE 38 Ca 0.26 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.34 1n7t n PHE 38 Cb 1.02 0.11 -0.15 0.00 -0.94 0.00 0.00 39.48 39.52 1n7t n PHE 38 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1n7t s ARG 39 N -1.99 3.26 -0.11 -1.08 1.81 -1.26 -5.04 118.95 114.54 1n7t s ARG 39 Ca 0.00 -0.71 -0.18 0.00 -1.72 0.00 0.00 55.73 53.12 1n7t s ARG 39 Cb 0.00 -2.57 -0.27 0.00 -0.45 0.00 0.00 34.95 31.66 1n7t s ARG 39 CO 0.00 0.25 0.59 -1.00 -0.68 0.00 0.00 175.30 174.46 1n7t h PRO 40 N 6.57 0.21 -0.01 3.54 0.13 -1.97 -3.37 132.00 137.10 1n7t h PRO 40 Ca -0.27 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1n7t h PRO 40 Cb 1.21 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1n7t h PRO 40 CO 0.54 1.17 -0.19 -0.25 -0.23 0.00 0.00 178.00 179.04 1n7t n ASP 41 N -4.05 1.06 -4.42 1.44 8.00 -1.26 -4.83 116.55 112.49 1n7t n ASP 41 Ca -0.23 -0.98 -0.34 0.00 0.71 0.00 0.00 54.79 53.95 1n7t n ASP 41 Cb 0.84 0.09 -0.13 0.00 -0.02 0.00 0.00 41.12 41.90 1n7t n ASP 41 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1n7t s ASP 42 N -2.40 4.62 -0.35 -2.24 -1.08 -1.26 -4.99 116.67 108.98 1n7t s ASP 42 Ca 0.28 -0.24 0.07 0.00 -0.52 0.00 0.00 52.55 52.13 1n7t s ASP 42 Cb 0.20 -1.78 0.53 0.00 -1.46 0.00 0.00 42.92 40.41 1n7t s ASP 42 CO 0.48 0.08 1.58 -0.90 0.52 0.00 0.00 175.17 176.92 1n7t n ASP 43 N 4.15 3.20 -2.10 -0.34 5.68 -1.26 -4.72 116.55 121.15 1n7t n ASP 43 Ca -0.17 -3.76 0.00 0.00 -0.50 0.00 0.00 54.79 50.35 1n7t n ASP 43 Cb 0.52 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 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 -1.09 0.17 3.18 6.12 0.00 -1.26 -1.29 105.19 111.01 1n7t n GLY 44 Ca 0.41 -1.35 -0.28 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 1.62 0.07 -0.61 -1.09 -1.26 -0.56 121.20 119.37 1n7t s ILE 45 Ca 0.00 -0.83 0.04 0.00 -2.23 0.00 0.00 60.65 57.63 1n7t s ILE 45 Cb 0.00 -1.39 -0.03 0.00 -1.58 0.00 0.00 42.46 39.46 1n7t s ILE 45 CO 0.00 0.46 -0.11 -0.36 -1.23 0.00 0.00 174.94 173.70 1n7t s PHE 46 N -0.03 1.01 -1.14 3.97 0.40 -0.43 -1.96 117.98 119.80 1n7t s PHE 46 Ca -0.04 -0.54 -0.07 0.00 -0.60 0.00 0.00 56.93 55.68 1n7t s PHE 46 Cb -0.12 -0.57 0.26 0.00 0.51 0.00 0.00 43.02 43.10 1n7t s PHE 46 CO 0.03 -0.00 1.42 0.28 0.70 0.00 0.00 175.22 177.65 1n7t n VAL 47 N 1.06 4.85 -0.22 -0.44 0.31 -1.24 -1.55 118.33 121.10 1n7t n VAL 47 Ca -0.20 -5.42 0.00 0.00 -0.01 0.00 0.00 64.34 58.72 1n7t n VAL 47 Cb 0.56 -2.32 0.04 0.00 -0.91 0.00 0.00 33.84 31.20 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 2.38 -0.29 -3.73 2.52 5.66 -1.23 -2.38 114.28 117.21 1n7t n THR 48 Ca 0.29 1.33 -0.07 0.00 -3.05 0.00 0.00 64.05 62.54 1n7t n THR 48 Cb 0.36 -1.78 0.03 0.00 -1.55 0.00 0.00 70.33 67.39 1n7t n THR 48 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1n7t n ARG 49 N -4.86 0.98 -4.10 1.09 1.85 -1.26 -4.17 116.66 106.19 1n7t n ARG 49 Ca 0.07 -1.94 -0.14 0.00 -1.00 0.00 0.00 57.85 54.84 1n7t n ARG 49 Cb 0.24 2.43 -0.11 0.00 -1.05 0.00 0.00 32.46 33.97 1n7t n ARG 49 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1n7t s VAL 50 N -2.18 0.69 -0.02 8.89 1.01 -1.26 -3.64 120.40 123.88 1n7t s VAL 50 Ca 0.15 -1.20 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 1n7t s VAL 50 Cb -0.04 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1n7t s VAL 50 CO 0.10 -0.38 -0.05 0.00 0.00 0.00 0.00 175.10 174.77 1n7t n GLN 51 N 1.31 0.07 -2.62 2.72 6.02 -1.19 -4.96 117.38 118.73 1n7t n GLN 51 Ca -0.22 0.03 -0.43 0.00 -0.01 0.00 0.00 57.00 56.37 1n7t n GLN 51 Cb 0.55 -0.52 -0.02 0.00 1.02 0.00 0.00 30.24 31.26 1n7t n GLN 51 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1n7t s PRO 52 N -1.30 4.22 -1.13 -1.09 0.04 -1.26 -4.93 135.00 129.55 1n7t s PRO 52 Ca -0.04 1.36 -0.16 0.00 0.04 0.00 0.00 61.00 62.20 1n7t s PRO 52 Cb 0.01 -3.68 -0.06 0.00 0.04 0.00 0.00 34.50 30.81 1n7t s PRO 52 CO 0.06 -0.69 2.14 -0.85 0.04 0.00 0.00 177.00 177.70 1n7t n GLU 53 N 6.46 2.27 0.08 4.56 0.28 -1.26 -4.01 120.64 129.02 1n7t n GLU 53 Ca 0.12 -2.14 0.00 0.00 -0.16 0.00 0.00 57.16 54.98 1n7t n GLU 53 Cb 0.46 -3.02 0.00 0.00 1.43 0.00 0.00 31.44 30.31 1n7t n GLU 53 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1n7t n GLY 54 N 4.21 -1.83 0.00 -1.84 0.00 -1.26 -4.88 105.19 99.59 1n7t n GLY 54 Ca 0.52 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.98 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 -2.79 0.00 -2.40 1.61 -0.04 -1.26 -4.23 135.00 125.90 1n7t n PRO 55 Ca 0.00 0.22 -0.30 0.00 -0.04 0.00 0.00 63.50 63.38 1n7t n PRO 55 Cb 0.00 -1.18 0.01 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.09 5.37 -0.00 0.55 0.00 -1.26 -4.69 120.51 119.39 1n7t n ALA 56 Ca 0.00 -4.32 -0.02 0.00 0.00 0.00 0.00 53.44 49.10 1n7t n ALA 56 Cb 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.47 0.94 0.11 0.00 2.88 -1.26 -4.08 113.62 111.74 1n7t n SER 57 Ca 0.42 0.14 0.10 0.00 -1.33 0.00 0.00 58.87 58.20 1n7t n SER 57 Cb 0.54 -0.38 0.45 0.00 -0.75 0.00 0.00 64.21 64.07 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 -3.39 0.14 -0.11 -1.46 -0.00 -1.26 -3.42 118.16 108.66 1n7t n LYS 58 Ca -0.03 0.45 -0.19 0.00 -0.00 0.00 0.00 58.31 58.55 1n7t n LYS 58 Cb 0.12 -1.81 -0.07 0.00 -0.00 0.00 0.00 35.03 33.27 1n7t n LYS 58 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1n7t n LEU 59 N -2.08 1.91 -4.86 -5.58 4.77 -1.26 -4.98 117.00 104.92 1n7t n LEU 59 Ca 0.01 0.40 -0.34 0.00 -0.03 0.00 0.00 56.01 56.05 1n7t n LEU 59 Cb 0.16 -0.83 -0.05 0.00 -2.33 0.00 0.00 43.42 40.36 1n7t n LEU 59 CO 0.15 0.12 0.17 -0.76 -1.33 0.00 0.00 177.39 175.73 1n7t s LEU 60 N -7.80 4.29 -0.05 2.23 1.43 -1.22 -5.05 118.68 112.51 1n7t s LEU 60 Ca -0.31 0.91 0.06 0.00 -1.03 0.00 0.00 54.13 53.77 1n7t s LEU 60 Cb 0.08 -3.31 -0.02 0.00 0.03 0.00 0.00 46.19 42.97 1n7t s LEU 60 CO 0.45 0.07 -0.22 0.00 0.23 0.00 0.00 176.35 176.88 1n7t s GLN 61 N -2.25 2.46 0.17 1.70 -2.07 -1.26 -4.47 119.66 113.94 1n7t s GLN 61 Ca 0.39 -0.85 -0.33 0.00 -1.82 0.00 0.00 55.36 52.75 1n7t s GLN 61 Cb -0.13 -2.21 -0.14 0.00 -1.09 0.00 0.00 33.01 29.44 1n7t s GLN 61 CO 0.20 0.48 1.53 -2.30 -1.32 0.00 0.00 175.29 173.88 1n7t n PRO 62 N 2.68 2.07 -0.16 9.60 -0.02 -1.26 -2.94 135.00 144.96 1n7t n PRO 62 Ca -0.17 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1n7t n PRO 62 Cb 0.52 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 3.09 0.91 0.00 -1.23 0.00 -1.00 -4.99 105.19 101.97 1n7t n GLY 63 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1n7t n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n7t n ASP 64 N 0.22 0.00 -3.73 1.61 5.68 -1.15 -4.85 116.55 114.32 1n7t n ASP 64 Ca 0.00 -0.91 -0.18 0.00 -0.50 0.00 0.00 54.79 53.20 1n7t n ASP 64 Cb 0.00 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 39.81 1n7t n ASP 64 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1n7t s LYS 65 N -2.63 0.04 -0.35 0.11 2.20 -1.23 -3.70 119.74 114.18 1n7t s LYS 65 Ca 0.00 0.25 -0.22 0.00 -0.36 0.00 0.00 55.97 55.65 1n7t s LYS 65 Cb 0.00 -0.46 0.00 0.00 -1.51 0.00 0.00 37.83 35.86 1n7t s LYS 65 CO 0.00 -0.25 0.71 0.42 -0.36 0.00 0.00 175.35 175.87 1n7t s ILE 66 N 1.64 4.83 -0.16 5.43 1.01 -0.83 -2.72 121.20 130.40 1n7t s ILE 66 Ca -0.02 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.43 1n7t s ILE 66 Cb -0.13 -4.13 -0.23 0.00 0.01 0.00 0.00 42.46 37.99 1n7t s ILE 66 CO -0.03 -0.33 0.18 -0.38 0.00 0.00 0.00 174.94 174.38 1n7t n ILE 67 N 5.63 1.64 -3.72 2.92 2.08 -0.55 -4.36 119.36 123.00 1n7t n ILE 67 Ca 0.01 -0.66 -0.14 0.00 0.56 0.00 0.00 62.75 62.52 1n7t n ILE 67 Cb 0.48 -1.46 -0.08 0.00 -0.75 0.00 0.00 39.64 37.83 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 -2.55 0.75 -0.10 0.38 0.74 -1.17 -0.25 119.66 117.46 1n7t s GLN 68 Ca -0.24 -0.19 -0.04 0.00 0.05 0.00 0.00 55.36 54.94 1n7t s GLN 68 Cb 0.07 0.33 0.05 0.00 1.10 0.00 0.00 33.01 34.57 1n7t s GLN 68 CO 0.72 -0.22 0.22 0.00 -0.55 0.00 0.00 175.29 175.47 1n7t s ALA 69 N -1.53 -0.43 -0.60 1.58 0.00 0.22 -1.07 121.76 119.93 1n7t s ALA 69 Ca -0.12 0.84 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 1n7t s ALA 69 Cb -0.04 -0.77 0.03 0.00 0.00 0.00 0.00 23.12 22.34 1n7t s ALA 69 CO 0.04 -0.41 0.12 0.09 0.00 0.00 0.00 175.76 175.60 1n7t n ASN 70 N 4.82 -2.11 0.00 0.00 4.13 -0.80 0.73 115.26 122.03 1n7t n ASN 70 Ca -0.15 0.14 0.00 0.00 1.68 0.00 0.00 54.58 56.25 1n7t n ASN 70 Cb 0.51 -1.87 0.00 0.00 -1.54 0.00 0.00 39.78 36.88 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 -0.71 0.44 3.58 7.41 0.00 -1.26 -5.06 105.19 109.59 1n7t n GLY 71 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.17 3.22 0.02 1.61 2.02 0.22 -5.06 117.35 117.22 1n7t s TYR 72 Ca 0.00 0.02 -0.30 0.00 -0.37 0.00 0.00 57.07 56.41 1n7t s TYR 72 Cb 0.00 -2.27 -0.06 0.00 -0.40 0.00 0.00 41.96 39.24 1n7t s TYR 72 CO 0.00 -0.09 1.35 -1.12 -1.57 0.00 0.00 175.55 174.12 1n7t s SER 73 N 1.30 6.90 0.00 2.29 0.01 -1.26 -0.61 113.70 122.33 1n7t s SER 73 Ca 0.06 2.11 0.23 0.00 1.31 0.00 0.00 55.95 59.66 1n7t s SER 73 Cb -0.14 -2.57 0.50 0.00 0.21 0.00 0.00 66.02 64.02 1n7t s SER 73 CO 0.06 -0.65 1.45 0.49 0.41 0.00 0.00 173.24 174.99 1n7t n PHE 74 N 4.87 0.66 -2.84 2.43 3.01 0.66 -4.93 117.46 121.31 1n7t n PHE 74 Ca 0.12 -0.33 -0.42 0.00 1.01 0.00 0.00 57.45 57.83 1n7t n PHE 74 Cb 0.44 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.87 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 -1.34 4.80 -0.46 4.37 1.10 -1.23 -4.31 121.20 124.13 1n7t s ILE 75 Ca 0.42 1.67 -0.08 0.00 -0.51 0.00 0.00 60.65 62.15 1n7t s ILE 75 Cb 0.24 -4.16 0.01 0.00 0.15 0.00 0.00 42.46 38.70 1n7t s ILE 75 CO 0.32 -0.10 0.53 0.59 -2.11 0.00 0.00 174.94 174.18 1n7t n ASN 76 N 6.06 -6.93 -3.88 4.50 5.03 -1.26 -5.07 115.26 113.71 1n7t n ASN 76 Ca 0.07 0.26 -0.10 0.00 0.87 0.00 0.00 54.58 55.68 1n7t n ASN 76 Cb 0.47 -4.65 -0.06 0.00 -1.02 0.00 0.00 39.78 34.52 1n7t n ASN 76 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1n7t s ILE 77 N -2.60 0.06 0.41 2.41 -4.36 -1.26 -4.97 121.20 110.90 1n7t s ILE 77 Ca 0.13 -1.18 -0.22 0.00 -0.26 0.00 0.00 60.65 59.12 1n7t s ILE 77 Cb -0.04 -1.73 -0.10 0.00 1.25 0.00 0.00 42.46 41.84 1n7t s ILE 77 CO 0.64 -0.26 0.97 -1.61 0.24 0.00 0.00 174.94 174.92 1n7t s GLU 78 N -3.93 4.23 0.13 0.37 8.01 -1.26 0.56 118.70 126.80 1n7t s GLU 78 Ca 0.14 1.24 -0.25 0.00 0.01 0.00 0.00 54.97 56.10 1n7t s GLU 78 Cb 0.02 -2.32 -0.04 0.00 -4.31 0.00 0.00 34.13 27.48 1n7t s GLU 78 CO -0.02 -0.04 1.63 1.25 0.01 0.00 0.00 175.26 178.09 1n7t h HIS 79 N 2.16 -0.71 -0.35 1.61 -0.00 -1.82 -1.67 115.15 114.37 1n7t h HIS 79 Ca -0.49 0.03 0.10 0.00 -0.00 0.00 0.00 60.37 60.01 1n7t h HIS 79 Cb 1.19 0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 28.91 1n7t h HIS 79 CO 0.61 -0.35 0.31 0.78 -0.00 0.00 0.00 177.93 179.27 1n7t h GLY 80 N -0.38 0.00 1.26 5.26 0.00 -1.94 -0.48 103.07 106.80 1n7t h GLY 80 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.19 1n7t h GLY 80 CO -0.26 0.00 -0.78 -1.61 0.00 0.00 0.00 176.54 173.89 1n7t h GLN 81 N 0.00 0.72 0.39 4.80 5.75 -1.71 -2.57 115.11 122.50 1n7t h GLN 81 Ca 0.16 -0.60 -0.02 0.00 -0.15 0.00 0.00 58.65 58.05 1n7t h GLN 81 Cb 0.78 0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.46 1n7t h GLN 81 CO -0.00 1.21 -0.19 0.00 -2.65 0.00 0.00 178.83 177.20 1n7t h ALA 82 N 0.62 -0.52 -0.64 3.38 0.00 -0.70 -2.54 119.26 118.85 1n7t h ALA 82 Ca -0.05 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1n7t h ALA 82 Cb 1.41 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 1n7t h ALA 82 CO 0.16 -0.62 0.39 0.28 0.00 0.00 0.00 179.25 179.46 1n7t h VAL 83 N -0.88 1.06 -0.91 0.00 2.07 -1.52 -2.14 116.25 113.94 1n7t h VAL 83 Ca -0.05 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1n7t h VAL 83 Cb 0.55 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1n7t h VAL 83 CO 0.09 0.14 0.58 -1.28 0.02 0.00 0.00 177.57 177.11 1n7t h SER 84 N 0.75 1.07 -0.34 0.57 0.87 -1.52 -1.49 113.55 113.46 1n7t h SER 84 Ca 0.26 -0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.70 1n7t h SER 84 Cb 0.05 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1n7t h SER 84 CO -0.12 0.79 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.81 1n7t h LEU 85 N 1.24 0.67 -0.47 2.23 3.38 -0.99 -2.65 115.31 118.73 1n7t h LEU 85 Ca 0.33 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1n7t h LEU 85 Cb -0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1n7t h LEU 85 CO -0.07 0.88 -0.04 -0.07 0.09 0.00 0.00 178.44 179.24 1n7t h LEU 86 N 0.45 0.84 -0.62 1.67 3.38 -1.16 -3.16 115.31 116.72 1n7t h LEU 86 Ca 0.09 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 1n7t h LEU 86 Cb 0.60 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1n7t h LEU 86 CO 0.04 0.97 0.16 0.11 0.09 0.00 0.00 178.44 179.80 1n7t h LYS 87 N 0.70 0.99 0.00 1.13 1.57 -1.29 -2.79 116.57 116.87 1n7t h LYS 87 Ca 0.13 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1n7t h LYS 87 Cb 0.56 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 1n7t h LYS 87 CO 0.03 0.89 -0.05 0.00 -0.57 0.00 0.00 179.45 179.75 1n7t h THR 88 N 0.90 0.30 -2.82 -0.16 1.03 -1.45 -3.43 112.91 107.28 1n7t h THR 88 Ca 0.20 -0.34 -0.52 0.00 -0.01 0.00 0.00 66.41 65.74 1n7t h THR 88 Cb 0.34 1.25 0.06 0.00 -1.07 0.00 0.00 68.15 68.74 1n7t h THR 88 CO 0.00 0.05 0.97 -0.36 -0.01 0.00 0.00 175.52 176.17 1n7t s PHE 89 N -4.12 2.90 0.00 0.00 0.08 -1.06 -4.99 117.98 110.79 1n7t s PHE 89 Ca -0.03 0.47 0.00 0.00 0.12 0.00 0.00 56.93 57.49 1n7t s PHE 89 Cb 0.12 -4.10 0.00 0.00 -0.57 0.00 0.00 43.02 38.48 1n7t s PHE 89 CO 0.53 -4.06 0.00 1.04 -0.10 0.00 0.00 175.22 172.63 1n7t n GLN 90 N 3.63 0.00 0.00 0.44 3.00 -1.26 -4.96 117.38 118.23 1n7t n GLN 90 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1n7t n GLN 90 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.60 1n7t n GLN 90 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1n7t n ASN 91 N 0.00 0.00 -4.76 1.08 3.02 -1.26 -4.57 115.26 108.77 1n7t n ASN 91 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 1n7t n ASN 91 Cb 0.00 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.27 1n7t n ASN 91 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1n7t s THR 92 N 0.00 3.19 -0.23 3.41 -4.23 -1.26 -0.50 115.64 116.02 1n7t s THR 92 Ca 0.00 0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 60.86 1n7t s THR 92 Cb 0.00 -2.94 0.12 0.00 1.34 0.00 0.00 72.50 71.02 1n7t s THR 92 CO 0.00 -0.51 0.39 -0.69 -0.54 0.00 0.00 174.62 173.27 1n7t s VAL 93 N -2.97 -0.61 -0.21 2.29 1.01 0.86 -4.90 120.40 115.87 1n7t s VAL 93 Ca 0.61 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 62.39 1n7t s VAL 93 Cb -0.17 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1n7t s VAL 93 CO 0.56 -0.06 0.64 -1.61 0.00 0.00 0.00 175.10 174.63 1n7t s GLU 94 N 2.56 4.19 0.02 2.72 8.01 -1.26 -2.11 118.70 132.84 1n7t s GLU 94 Ca 0.09 0.62 0.08 0.00 0.01 0.00 0.00 54.97 55.77 1n7t s GLU 94 Cb -0.14 -3.60 -0.02 0.00 -4.31 0.00 0.00 34.13 26.05 1n7t s GLU 94 CO -0.15 -0.29 -0.24 -0.51 0.01 0.00 0.00 175.26 174.08 1n7t s LEU 95 N 2.09 2.13 -0.14 1.80 1.43 -0.36 -1.90 118.68 123.74 1n7t s LEU 95 Ca 0.29 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1n7t s LEU 95 Cb -0.16 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.85 1n7t s LEU 95 CO 0.10 0.25 -0.13 -0.63 0.23 0.00 0.00 176.35 176.17 1n7t s ILE 96 N -0.72 3.05 0.30 -0.59 1.01 -0.23 -0.50 121.20 123.52 1n7t s ILE 96 Ca 0.10 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.12 1n7t s ILE 96 Cb -0.09 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1n7t s ILE 96 CO 0.01 0.52 0.13 0.27 0.00 0.00 0.00 174.94 175.87 1n7t s ILE 97 N 0.42 0.45 0.01 2.92 -4.36 -0.28 -1.48 121.20 118.88 1n7t s ILE 97 Ca -0.10 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.18 1n7t s ILE 97 Cb -0.16 -2.55 0.01 0.00 1.25 0.00 0.00 42.46 41.01 1n7t s ILE 97 CO 0.05 0.00 0.22 -0.69 0.24 0.00 0.00 174.94 174.76 1n7t s VAL 98 N -3.62 0.08 -0.21 8.37 1.01 -1.10 -2.06 120.40 122.86 1n7t s VAL 98 Ca 0.36 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1n7t s VAL 98 Cb 0.06 -0.66 0.05 0.00 0.00 0.00 0.00 36.38 35.82 1n7t s VAL 98 CO 0.16 -0.37 -0.11 -0.60 0.00 0.00 0.00 175.10 174.18 1n7t s ARG 99 N -1.78 2.10 -0.10 2.72 6.06 -0.98 -3.57 118.95 123.41 1n7t s ARG 99 Ca -0.11 -0.97 -0.29 0.00 -2.50 0.00 0.00 55.73 51.86 1n7t s ARG 99 Cb -0.05 -2.55 -0.05 0.00 0.06 0.00 0.00 34.95 32.36 1n7t s ARG 99 CO 0.01 -0.46 1.73 -1.21 -2.50 0.00 0.00 175.30 172.87 1n7t s GLU 100 N 1.32 3.99 -0.26 5.12 2.02 -1.26 -2.91 118.70 126.72 1n7t s GLU 100 Ca -0.03 2.10 -0.06 0.00 0.02 0.00 0.00 54.97 57.00 1n7t s GLU 100 Cb -0.17 -4.05 -0.01 0.00 0.10 0.00 0.00 34.13 30.00 1n7t s GLU 100 CO -0.08 -1.08 0.04 0.08 0.02 0.00 0.00 175.26 174.25 1n7t s VAL 101 N 4.74 3.90 -0.25 2.63 1.01 -0.57 -5.02 120.40 126.85 1n7t s VAL 101 Ca 0.77 -0.47 -0.19 0.00 0.00 0.00 0.00 61.98 62.09 1n7t s VAL 101 Cb -0.32 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 1n7t s VAL 101 CO 0.32 0.26 0.58 -0.55 0.00 0.00 0.00 175.10 175.71 1n7t s SER 102 N 1.53 6.54 0.00 3.32 0.15 -1.26 -4.63 113.70 119.34 1n7t s SER 102 Ca 0.05 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.35 1n7t s SER 102 Cb -0.16 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1n7t s SER 102 CO 0.01 -0.31 0.00 -1.20 1.20 0.00 0.00 173.24 172.94