#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4s s GLU 2 N 0.00 4.35 -0.93 2.12 0.41 -1.01 -4.96 118.70 118.67 1s4s s GLU 2 Ca 0.00 1.93 -0.17 0.00 -0.41 0.00 0.00 54.97 56.32 1s4s s GLU 2 Cb 0.00 -3.38 0.16 0.00 -1.78 0.00 0.00 34.13 29.14 1s4s s GLU 2 CO 0.00 -0.41 1.06 -3.38 -0.49 0.00 0.00 175.26 172.04 1s4s s HIS 3 N 1.47 3.36 -0.03 1.61 -3.43 -1.26 -4.65 115.29 112.35 1s4s s HIS 3 Ca 0.62 -1.66 -0.01 0.00 -0.80 0.00 0.00 55.06 53.21 1s4s s HIS 3 Cb -0.32 -4.15 0.03 0.00 -1.43 0.00 0.00 32.58 26.71 1s4s s HIS 3 CO 0.28 -1.33 0.06 0.08 -2.00 0.00 0.00 174.74 171.84 1s4s s VAL 4 N 1.80 -0.06 0.14 -5.38 1.01 -1.26 -5.16 120.40 111.49 1s4s s VAL 4 Ca 0.30 0.22 -0.17 0.00 0.00 0.00 0.00 61.98 62.32 1s4s s VAL 4 Cb -0.06 -0.13 -0.07 0.00 0.00 0.00 0.00 36.38 36.12 1s4s s VAL 4 CO -0.09 0.09 0.59 0.00 0.00 0.00 0.00 175.10 175.69 1s4s s ALA 5 N 1.15 3.55 0.21 5.51 0.00 -1.26 -4.74 121.76 126.18 1s4s s ALA 5 Ca -0.09 -0.02 -0.32 0.00 0.00 0.00 0.00 51.96 51.54 1s4s s ALA 5 Cb -0.13 -2.62 -0.12 0.00 0.00 0.00 0.00 23.12 20.26 1s4s s ALA 5 CO -0.04 0.41 1.70 0.12 0.00 0.00 0.00 175.76 177.96 1s4s s PHE 6 N -1.36 2.90 0.00 0.00 2.19 -1.26 -2.15 117.98 118.31 1s4s s PHE 6 Ca 0.36 0.40 0.00 0.00 0.33 0.00 0.00 56.93 58.01 1s4s s PHE 6 Cb -0.17 -4.12 0.00 0.00 -1.31 0.00 0.00 43.02 37.42 1s4s s PHE 6 CO 0.19 -4.20 0.00 0.41 1.83 0.00 0.00 175.22 173.45 1s4s n GLY 7 N 3.81 0.68 3.74 13.12 0.00 -1.26 -5.03 105.19 120.25 1s4s n GLY 7 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1s4s n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s4s s SER 8 N -2.07 6.54 0.65 1.61 0.01 -0.91 -4.90 113.70 114.62 1s4s s SER 8 Ca 0.00 2.76 0.42 0.00 1.31 0.00 0.00 55.95 60.44 1s4s s SER 8 Cb 0.00 -2.62 2.29 0.00 0.21 0.00 0.00 66.02 65.90 1s4s s SER 8 CO 0.00 -0.80 2.34 1.05 0.41 0.00 0.00 173.24 176.24 1s4s h GLU 9 N 5.31 0.00 0.00 12.44 4.11 -1.95 -2.54 114.58 131.94 1s4s h GLU 9 Ca -0.46 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.97 1s4s h GLU 9 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1s4s h GLU 9 CO 0.81 0.00 -0.21 -0.40 0.07 0.00 0.00 179.01 179.28 1s4s n ASP 10 N -3.22 2.03 -0.27 3.06 5.75 -1.26 -4.82 116.55 117.83 1s4s n ASP 10 Ca -0.03 -3.34 0.08 0.00 -0.01 0.00 0.00 54.79 51.49 1s4s n ASP 10 Cb 0.08 -0.46 0.33 0.00 -1.03 0.00 0.00 41.12 40.04 1s4s n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1s4s h ILE 11 N 0.66 0.94 0.00 2.12 2.10 -1.84 -2.01 117.51 119.49 1s4s h ILE 11 Ca -0.00 -0.28 -0.01 0.00 1.08 0.00 0.00 64.86 65.65 1s4s h ILE 11 Cb 1.03 0.05 -0.00 0.00 -1.09 0.00 0.00 36.82 36.81 1s4s h ILE 11 CO 0.00 0.15 -0.04 1.05 -1.08 0.00 0.00 178.15 178.23 1s4s h GLU 12 N 0.82 0.00 0.01 2.19 9.09 -1.87 -0.85 114.58 123.96 1s4s h GLU 12 Ca 0.41 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.75 1s4s h GLU 12 Cb 0.46 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.57 1s4s h GLU 12 CO -0.17 0.04 -0.27 -0.91 0.05 0.00 0.00 179.01 177.75 1s4s h ASN 13 N 0.00 0.21 -0.66 3.06 4.21 -1.76 -3.00 115.58 117.65 1s4s h ASN 13 Ca -0.00 -0.82 0.02 0.00 1.21 0.00 0.00 56.30 56.71 1s4s h ASN 13 Cb 0.08 -0.07 -0.04 0.00 -1.12 0.00 0.00 38.32 37.18 1s4s h ASN 13 CO 0.00 1.01 0.42 0.74 -1.29 0.00 0.00 177.43 178.31 1s4s h THR 14 N -0.55 1.12 0.00 2.81 2.02 -1.27 -2.68 112.91 114.36 1s4s h THR 14 Ca -0.04 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1s4s h THR 14 Cb 1.06 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1s4s h THR 14 CO 0.05 0.15 0.00 -0.07 0.37 0.00 0.00 175.52 176.03 1s4s h LEU 15 N 0.84 0.00 -1.89 2.58 3.38 -1.29 -3.17 115.31 115.76 1s4s h LEU 15 Ca 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1s4s h LEU 15 Cb -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1s4s h LEU 15 CO -0.08 0.00 -0.13 0.00 0.09 0.00 0.00 178.44 178.32 1s4s h ALA 16 N 2.20 1.38 -0.07 1.53 0.00 -1.32 -1.30 119.26 121.68 1s4s h ALA 16 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1s4s h ALA 16 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1s4s h ALA 16 CO 0.00 0.16 0.00 0.36 0.00 0.00 0.00 179.25 179.77 1s4s n LYS 17 N -3.80 1.58 -3.75 0.00 2.85 -1.20 -4.91 118.16 108.93 1s4s n LYS 17 Ca -0.02 -0.85 -0.35 0.00 -1.05 0.00 0.00 58.31 56.03 1s4s n LYS 17 Cb 0.23 -1.43 -0.08 0.00 -0.65 0.00 0.00 35.03 33.10 1s4s n LYS 17 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1s4s s MET 18 N -1.92 4.12 0.85 -1.58 -1.94 -0.49 -5.08 119.30 113.26 1s4s s MET 18 Ca 0.36 -0.22 -0.08 0.00 -1.71 0.00 0.00 55.69 54.04 1s4s s MET 18 Cb 0.19 -3.39 0.17 0.00 2.01 0.00 0.00 34.83 33.81 1s4s s MET 18 CO 0.30 0.34 1.16 0.16 -0.01 0.00 0.00 175.02 176.97 1s4s s ASP 19 N 0.24 3.66 0.47 3.03 -4.77 -1.26 -4.82 116.67 113.23 1s4s s ASP 19 Ca 0.08 -0.14 0.16 0.00 -3.30 0.00 0.00 52.55 49.35 1s4s s ASP 19 Cb -0.11 -0.02 1.11 0.00 -1.09 0.00 0.00 42.92 42.81 1s4s s ASP 19 CO -0.01 -2.34 2.04 -2.24 0.70 0.00 0.00 175.17 173.31 1s4s h ASP 20 N -1.09 0.00 -0.34 2.11 2.03 -1.99 -1.65 116.42 115.48 1s4s h ASP 20 Ca -0.39 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 55.85 1s4s h ASP 20 Cb 1.24 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.73 1s4s h ASP 20 CO 0.37 0.13 -0.02 1.23 -1.03 0.00 0.00 179.24 179.91 1s4s h GLY 21 N 0.41 0.67 1.67 7.15 0.00 -2.00 -2.88 103.07 108.09 1s4s h GLY 21 Ca -0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 47.33 46.62 1s4s h GLY 21 CO 0.02 0.47 -0.83 1.46 0.00 0.00 0.00 176.54 177.66 1s4s h GLN 22 N 0.42 0.31 -0.15 4.80 4.20 -1.84 -3.04 115.11 119.81 1s4s h GLN 22 Ca 0.09 -0.30 0.02 0.00 0.06 0.00 0.00 58.65 58.52 1s4s h GLN 22 Cb 0.49 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1s4s h GLN 22 CO 0.02 0.98 0.10 1.25 -0.67 0.00 0.00 178.83 180.51 1s4s h LEU 23 N 0.19 0.12 -0.57 1.46 5.85 -1.29 0.25 115.31 121.31 1s4s h LEU 23 Ca -0.05 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1s4s h LEU 23 Cb 1.43 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1s4s h LEU 23 CO 0.14 0.08 0.00 0.47 -0.34 0.00 0.00 178.44 178.79 1s4s n ASP 24 N -4.51 0.46 -0.94 1.25 8.00 -1.09 -2.25 116.55 117.46 1s4s n ASP 24 Ca -0.00 0.63 0.08 0.00 0.71 0.00 0.00 54.79 56.21 1s4s n ASP 24 Cb 0.13 -0.72 0.23 0.00 -0.02 0.00 0.00 41.12 40.75 1s4s n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s4s n GLY 25 N -0.22 1.37 3.83 0.44 0.00 0.08 -4.57 105.19 106.11 1s4s n GLY 25 Ca 0.02 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 1s4s n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s4s s LEU 26 N -1.04 3.75 0.00 0.99 1.43 -0.96 -2.41 118.68 120.44 1s4s s LEU 26 Ca 0.34 1.67 0.30 0.00 -1.03 0.00 0.00 54.13 55.41 1s4s s LEU 26 Cb 0.18 -4.53 1.52 0.00 0.03 0.00 0.00 46.19 43.39 1s4s s LEU 26 CO 0.24 -0.57 2.03 0.00 0.23 0.00 0.00 176.35 178.27 1s4s n ALA 27 N -1.23 2.65 -2.15 4.21 0.00 -1.26 -4.73 120.51 118.00 1s4s n ALA 27 Ca 0.07 -0.23 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 1s4s n ALA 27 Cb 0.54 -1.42 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 1s4s n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1s4s s PHE 28 N -2.28 0.86 0.45 0.00 -0.12 -1.26 -5.04 117.98 110.58 1s4s s PHE 28 Ca 0.36 -1.20 -0.24 0.00 -0.05 0.00 0.00 56.93 55.81 1s4s s PHE 28 Cb 0.21 -0.49 -0.08 0.00 -0.63 0.00 0.00 43.02 42.03 1s4s s PHE 28 CO 0.42 -0.47 1.24 0.20 -0.05 0.00 0.00 175.22 176.55 1s4s s GLY 29 N -3.05 2.85 -0.11 1.99 0.00 0.12 -4.60 107.32 104.52 1s4s s GLY 29 Ca 0.22 1.09 -0.05 0.00 0.00 0.00 0.00 44.72 45.99 1s4s s GLY 29 CO 0.01 1.61 0.23 0.00 0.00 0.00 0.00 173.10 174.95 1s4s s ALA 30 N -1.40 -0.48 -0.05 3.20 0.00 -1.26 -1.40 121.76 120.37 1s4s s ALA 30 Ca 0.62 0.89 0.03 0.00 0.00 0.00 0.00 51.96 53.50 1s4s s ALA 30 Cb -0.34 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 21.98 1s4s s ALA 30 CO 0.42 -0.43 -0.14 0.42 0.00 0.00 0.00 175.76 176.02 1s4s s ILE 31 N 1.89 1.21 -0.15 0.00 1.01 0.68 -1.94 121.20 123.90 1s4s s ILE 31 Ca -0.03 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.02 1s4s s ILE 31 Cb -0.11 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 1s4s s ILE 31 CO -0.08 0.36 -0.07 -1.58 0.00 0.00 0.00 174.94 173.57 1s4s s GLN 32 N 0.25 3.56 0.20 2.79 0.74 -0.36 -0.67 119.66 126.17 1s4s s GLN 32 Ca -0.07 -0.58 0.10 0.00 0.05 0.00 0.00 55.36 54.86 1s4s s GLN 32 Cb -0.12 -2.81 -0.04 0.00 1.10 0.00 0.00 33.01 31.13 1s4s s GLN 32 CO 0.02 0.23 -0.21 -0.51 -0.55 0.00 0.00 175.29 174.27 1s4s s LEU 33 N 0.37 2.46 0.00 3.68 1.02 0.26 -0.39 118.68 126.09 1s4s s LEU 33 Ca -0.07 -0.89 0.01 0.00 0.02 0.00 0.00 54.13 53.20 1s4s s LEU 33 Cb -0.15 -1.03 0.09 0.00 0.02 0.00 0.00 46.19 45.11 1s4s s LEU 33 CO 0.04 0.05 0.62 -0.90 0.02 0.00 0.00 176.35 176.18 1s4s n ASP 34 N 0.12 1.01 0.07 2.29 5.68 -0.67 -0.06 116.55 124.99 1s4s n ASP 34 Ca -0.11 -1.81 0.19 0.00 -0.50 0.00 0.00 54.79 52.55 1s4s n ASP 34 Cb 0.57 -0.39 0.72 0.00 -1.14 0.00 0.00 41.12 40.88 1s4s n ASP 34 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1s4s h GLY 35 N -0.28 0.00 -1.18 6.12 0.00 -1.90 -2.31 103.07 103.53 1s4s h GLY 35 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1s4s h GLY 35 CO 0.24 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.00 1s4s n ASP 36 N -4.19 2.21 0.00 0.19 8.00 -1.26 -4.93 116.55 116.57 1s4s n ASP 36 Ca 0.07 -1.74 0.00 0.00 0.71 0.00 0.00 54.79 53.83 1s4s n ASP 36 Cb 0.52 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1s4s n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s4s n GLY 37 N 1.26 0.84 3.76 0.44 0.00 -0.87 -4.90 105.19 105.73 1s4s n GLY 37 Ca 0.17 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1s4s n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s4s s ASN 38 N -2.07 7.44 -0.28 1.61 0.01 -1.26 0.39 114.94 120.78 1s4s s ASN 38 Ca 0.00 1.96 -0.25 0.00 -0.71 0.00 0.00 52.86 53.87 1s4s s ASN 38 Cb 0.00 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.06 1s4s s ASN 38 CO 0.00 0.00 0.84 -0.63 -1.51 0.00 0.00 177.10 175.80 1s4s s ILE 39 N -1.35 4.77 -0.20 0.60 1.01 0.20 -1.66 121.20 124.57 1s4s s ILE 39 Ca 0.46 1.40 0.04 0.00 0.00 0.00 0.00 60.65 62.54 1s4s s ILE 39 Cb -0.24 -4.17 -0.21 0.00 0.01 0.00 0.00 42.46 37.84 1s4s s ILE 39 CO 0.30 -0.22 0.04 0.18 0.00 0.00 0.00 174.94 175.25 1s4s n LEU 40 N 6.22 2.19 -3.97 2.97 4.77 0.48 -1.02 117.00 128.63 1s4s n LEU 40 Ca 0.06 0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 1s4s n LEU 40 Cb 0.48 -0.62 -0.11 0.00 -2.33 0.00 0.00 43.42 40.84 1s4s n LEU 40 CO 0.50 0.80 -0.36 -1.10 -1.33 0.00 0.00 177.39 175.90 1s4s s GLN 41 N -2.53 0.29 -0.27 3.23 -0.21 -1.14 -4.92 119.66 114.11 1s4s s GLN 41 Ca -0.25 -0.56 -0.02 0.00 0.02 0.00 0.00 55.36 54.55 1s4s s GLN 41 Cb 0.08 0.07 0.16 0.00 1.00 0.00 0.00 33.01 34.32 1s4s s GLN 41 CO 0.70 -0.04 0.51 -0.47 -2.12 0.00 0.00 175.29 173.87 1s4s s TYR 42 N -1.31 -1.25 0.72 0.91 6.14 -1.26 -1.22 117.35 120.08 1s4s s TYR 42 Ca -0.14 1.40 -0.07 0.00 0.64 0.00 0.00 57.07 58.91 1s4s s TYR 42 Cb -0.09 0.36 0.08 0.00 0.42 0.00 0.00 41.96 42.73 1s4s s TYR 42 CO -0.01 -0.79 1.03 0.54 0.64 0.00 0.00 175.55 176.97 1s4s s ASN 43 N 2.73 4.61 0.23 4.32 4.22 -0.82 -4.79 114.94 125.45 1s4s s ASN 43 Ca 0.15 0.32 -0.07 0.00 -2.14 0.00 0.00 52.86 51.12 1s4s s ASN 43 Cb -0.15 -0.90 0.24 0.00 1.28 0.00 0.00 41.25 41.73 1s4s s ASN 43 CO -0.18 -1.72 1.89 0.00 -2.04 0.00 0.00 177.10 175.05 1s4s h ALA 44 N -0.66 1.13 -0.37 3.54 0.00 -1.84 -2.09 119.26 118.96 1s4s h ALA 44 Ca -0.43 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1s4s h ALA 44 Cb 1.30 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1s4s h ALA 44 CO 0.55 0.45 0.03 0.00 0.00 0.00 0.00 179.25 180.28 1s4s h ALA 45 N 1.35 1.36 -0.25 0.00 0.00 -1.83 -0.53 119.26 119.35 1s4s h ALA 45 Ca 0.34 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1s4s h ALA 45 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1s4s h ALA 45 CO -0.10 0.45 -0.38 1.49 0.00 0.00 0.00 179.25 180.71 1s4s h GLU 46 N 0.55 0.58 -0.06 0.00 4.57 -1.69 -2.79 114.58 115.75 1s4s h GLU 46 Ca 0.12 -0.28 -0.13 0.00 -1.18 0.00 0.00 59.36 57.89 1s4s h GLU 46 Cb 0.31 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1s4s h GLU 46 CO 0.01 0.87 -0.54 0.78 -1.18 0.00 0.00 179.01 178.94 1s4s h GLY 47 N 1.04 0.19 2.00 1.92 0.00 -0.69 -0.88 103.07 106.64 1s4s h GLY 47 Ca 0.05 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 1s4s h GLY 47 CO 0.08 0.19 -0.42 -0.55 0.00 0.00 0.00 176.54 175.84 1s4s h ASP 48 N 0.13 0.00 0.09 0.19 3.32 -0.97 0.30 116.42 119.48 1s4s h ASP 48 Ca 0.00 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 1s4s h ASP 48 Cb 1.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 1s4s h ASP 48 CO 0.08 0.42 -1.20 0.40 -1.72 0.00 0.00 179.24 177.21 1s4s h ILE 49 N 0.00 1.13 0.00 0.35 2.04 -1.36 -3.39 117.51 116.28 1s4s h ILE 49 Ca -0.00 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.48 1s4s h ILE 49 Cb 0.87 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.71 1s4s h ILE 49 CO 0.05 0.65 -0.74 0.71 0.00 0.00 0.00 178.15 178.82 1s4s h THR 50 N -0.47 0.00 0.00 -0.27 1.35 -1.18 -3.48 112.91 108.86 1s4s h THR 50 Ca -0.27 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1s4s h THR 50 Cb 1.62 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 1s4s h THR 50 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1s4s n GLY 51 N 1.25 2.37 3.79 5.82 0.00 0.09 -4.97 105.19 113.54 1s4s n GLY 51 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1s4s n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s4s s ARG 52 N -0.23 3.86 -0.33 1.61 1.81 -1.24 -5.00 118.95 119.42 1s4s s ARG 52 Ca 0.00 1.46 -0.22 0.00 -1.72 0.00 0.00 55.73 55.24 1s4s s ARG 52 Cb 0.00 -2.23 0.00 0.00 -0.45 0.00 0.00 34.95 32.27 1s4s s ARG 52 CO 0.00 -0.40 0.73 0.34 -0.68 0.00 0.00 175.30 175.29 1s4s s ASP 53 N -1.80 6.56 0.16 0.23 -1.08 -1.26 -4.51 116.67 114.98 1s4s s ASP 53 Ca 0.65 0.46 -0.31 0.00 -0.52 0.00 0.00 52.55 52.83 1s4s s ASP 53 Cb -0.19 -2.38 -0.07 0.00 -1.46 0.00 0.00 42.92 38.82 1s4s s ASP 53 CO 0.24 -0.62 1.54 -0.65 0.52 0.00 0.00 175.17 176.20 1s4s h PRO 54 N 8.28 -0.01 -0.02 4.34 0.11 -1.89 -1.00 132.00 141.81 1s4s h PRO 54 Ca -0.25 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.86 1s4s h PRO 54 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1s4s h PRO 54 CO 0.87 -0.00 0.05 0.87 -0.21 0.00 0.00 178.00 179.57 1s4s h LYS 55 N -0.01 0.00 0.00 1.05 1.79 -1.93 -2.73 116.57 114.74 1s4s h LYS 55 Ca 0.16 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1s4s h LYS 55 Cb 0.42 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1s4s h LYS 55 CO -0.94 0.00 -0.74 1.96 -1.08 0.00 0.00 179.45 178.66 1s4s h GLN 56 N 0.00 0.00 -0.00 3.15 4.20 -1.60 -3.35 115.11 117.51 1s4s h GLN 56 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1s4s h GLN 56 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1s4s h GLN 56 CO -0.00 0.01 -0.85 1.33 -0.67 0.00 0.00 178.83 178.64 1s4s n VAL 57 N -2.80 0.00 -2.18 -0.54 0.24 -1.03 -4.83 118.33 107.19 1s4s n VAL 57 Ca 0.01 -0.05 -0.42 0.00 -2.04 0.00 0.00 64.34 61.84 1s4s n VAL 57 Cb 0.55 0.97 -0.03 0.00 -1.47 0.00 0.00 33.84 33.86 1s4s n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1s4s s ILE 58 N -2.90 3.27 0.00 1.34 1.01 -1.20 -1.51 121.20 121.21 1s4s s ILE 58 Ca 0.10 0.94 0.00 0.00 0.00 0.00 0.00 60.65 61.70 1s4s s ILE 58 Cb 0.17 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 39.03 1s4s s ILE 58 CO 0.80 0.09 0.00 0.61 0.00 0.00 0.00 174.94 176.44 1s4s n GLY 59 N 3.18 2.01 3.80 6.18 0.00 -0.19 -4.99 105.19 115.18 1s4s n GLY 59 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1s4s n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4s s LYS 60 N -0.03 3.44 -0.30 1.61 -0.14 -0.57 -4.59 119.74 119.16 1s4s s LYS 60 Ca 0.00 1.27 -0.21 0.00 -1.36 0.00 0.00 55.97 55.67 1s4s s LYS 60 Cb 0.00 -2.05 -0.01 0.00 -1.68 0.00 0.00 37.83 34.09 1s4s s LYS 60 CO 0.00 -0.72 0.64 1.21 -0.76 0.00 0.00 175.35 175.73 1s4s s ASN 61 N -2.52 6.52 0.33 2.83 3.84 -1.26 -0.63 114.94 124.05 1s4s s ASN 61 Ca 0.65 0.48 0.08 0.00 0.21 0.00 0.00 52.86 54.28 1s4s s ASN 61 Cb -0.17 -2.34 0.81 0.00 -0.55 0.00 0.00 41.25 39.01 1s4s s ASN 61 CO 0.32 -0.48 1.80 0.15 -2.79 0.00 0.00 177.10 176.10 1s4s h PHE 62 N 8.15 0.95 0.05 0.43 3.57 -0.40 -1.69 116.94 128.00 1s4s h PHE 62 Ca -0.26 0.03 -0.29 0.00 3.53 0.00 0.00 57.97 60.98 1s4s h PHE 62 Cb 1.12 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.54 1s4s h PHE 62 CO 0.76 0.23 -1.56 0.74 -2.23 0.00 0.00 178.31 176.25 1s4s h PHE 63 N 0.70 0.18 0.00 0.41 0.04 -1.80 0.70 116.94 117.18 1s4s h PHE 63 Ca 0.55 -0.13 -0.14 0.00 2.80 0.00 0.00 57.97 61.04 1s4s h PHE 63 Cb 0.94 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 39.06 1s4s h PHE 63 CO -0.00 1.20 -0.96 -0.22 -0.60 0.00 0.00 178.31 177.73 1s4s h LYS 64 N 0.03 0.00 0.00 1.51 3.64 -1.86 -3.35 116.57 116.54 1s4s h LYS 64 Ca -0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1s4s h LYS 64 Cb 1.97 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.79 1s4s h LYS 64 CO 0.11 0.59 0.00 -0.25 -2.27 0.00 0.00 179.45 177.63 1s4s n ASP 65 N -4.51 0.00 0.28 4.20 8.00 -0.66 -4.71 116.55 119.15 1s4s n ASP 65 Ca -0.22 0.33 -0.16 0.00 0.71 0.00 0.00 54.79 55.45 1s4s n ASP 65 Cb 0.51 -0.47 -0.08 0.00 -0.02 0.00 0.00 41.12 41.06 1s4s n ASP 65 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1s4s h VAL 66 N 0.00 0.47 -2.61 2.53 2.07 -1.64 -3.41 116.25 113.65 1s4s h VAL 66 Ca 0.00 -0.22 -0.60 0.00 0.82 0.00 0.00 66.70 66.70 1s4s h VAL 66 Cb 0.00 0.56 -0.40 0.00 -1.52 0.00 0.00 31.29 29.92 1s4s h VAL 66 CO 0.00 0.04 -0.76 0.00 0.02 0.00 0.00 177.57 176.87 1s4s n ALA 67 N -2.47 3.24 -0.21 1.67 0.00 0.24 -4.95 120.51 118.03 1s4s n ALA 67 Ca -0.12 -4.01 -0.02 0.00 0.00 0.00 0.00 53.44 49.29 1s4s n ALA 67 Cb 0.31 -0.90 0.18 0.00 0.00 0.00 0.00 19.45 19.04 1s4s n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1s4s h PRO 68 N 5.13 1.00 -0.27 0.00 0.13 -1.75 -2.29 132.00 133.95 1s4s h PRO 68 Ca 0.19 -0.13 0.08 0.00 -0.87 0.00 0.00 66.00 65.26 1s4s h PRO 68 Cb 0.80 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1s4s h PRO 68 CO 0.60 0.77 0.79 0.00 -0.23 0.00 0.00 178.00 179.93 1s4s n THR 70 N -2.91 0.19 -2.53 0.00 -2.24 -0.86 -4.69 114.28 101.24 1s4s n THR 70 Ca 0.05 -0.13 -0.40 0.00 -2.27 0.00 0.00 64.05 61.30 1s4s n THR 70 Cb 0.89 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 1s4s n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s4s s ASP 71 N -3.62 6.36 0.07 3.42 -1.08 0.22 -1.53 116.67 120.51 1s4s s ASP 71 Ca 0.10 -1.18 -0.27 0.00 -0.52 0.00 0.00 52.55 50.67 1s4s s ASP 71 Cb 0.16 -2.57 0.09 0.00 -1.46 0.00 0.00 42.92 39.14 1s4s s ASP 71 CO 0.67 -1.63 1.16 -0.94 0.52 0.00 0.00 175.17 174.94 1s4s s SER 72 N 4.84 -0.06 0.55 -0.34 1.04 -1.26 -4.98 113.70 113.50 1s4s s SER 72 Ca 0.45 -0.33 0.33 0.00 0.48 0.00 0.00 55.95 56.89 1s4s s SER 72 Cb -0.02 0.31 1.41 0.00 0.10 0.00 0.00 66.02 67.82 1s4s s SER 72 CO -0.04 -0.59 2.00 -0.65 0.98 0.00 0.00 173.24 174.95 1s4s h PRO 73 N 2.00 0.00 -0.00 4.02 0.11 -1.95 -0.25 132.00 135.93 1s4s h PRO 73 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1s4s h PRO 73 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1s4s h PRO 73 CO 0.30 0.03 -0.33 0.39 -0.21 0.00 0.00 178.00 178.18 1s4s n GLU 74 N -3.14 0.06 0.00 1.05 -0.58 -1.26 -3.42 120.64 113.35 1s4s n GLU 74 Ca 0.00 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1s4s n GLU 74 Cb 0.30 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 1s4s n GLU 74 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1s4s n PHE 75 N -1.45 -0.01 -0.32 -0.32 -0.00 -1.22 -4.69 117.46 109.45 1s4s n PHE 75 Ca 0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.48 1s4s n PHE 75 Cb 0.33 0.25 0.08 0.00 -0.00 0.00 0.00 39.48 40.15 1s4s n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1s4s h TYR 76 N 0.00 1.14 -0.89 -5.13 3.20 -0.99 -0.93 116.97 113.37 1s4s h TYR 76 Ca 0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1s4s h TYR 76 Cb 0.00 -0.38 -0.04 0.00 1.54 0.00 0.00 36.73 37.85 1s4s h TYR 76 CO 0.00 0.76 0.50 0.78 -1.64 0.00 0.00 178.16 178.56 1s4s h GLY 77 N 1.19 1.32 1.59 1.82 0.00 -1.14 0.21 103.07 108.07 1s4s h GLY 77 Ca 0.31 -0.58 -0.13 0.00 0.00 0.00 0.00 47.33 46.94 1s4s h GLY 77 CO -0.06 0.56 -0.43 0.50 0.00 0.00 0.00 176.54 177.11 1s4s h LYS 78 N 1.24 0.45 -0.18 4.80 1.57 -1.44 -2.15 116.57 120.86 1s4s h LYS 78 Ca 0.32 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 1s4s h LYS 78 Cb -0.00 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1s4s h LYS 78 CO -0.05 0.80 -0.22 0.35 -0.57 0.00 0.00 179.45 179.75 1s4s h PHE 79 N 0.36 0.57 -0.37 -1.35 3.57 -0.46 -2.18 116.94 117.09 1s4s h PHE 79 Ca 0.03 -0.18 -0.06 0.00 3.53 0.00 0.00 57.97 61.29 1s4s h PHE 79 Cb 0.91 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 1s4s h PHE 79 CO 0.03 0.86 -0.02 1.57 -2.23 0.00 0.00 178.31 178.52 1s4s h LYS 80 N 0.13 0.59 -0.26 1.11 5.09 -0.57 -1.25 116.57 121.41 1s4s h LYS 80 Ca 0.02 -0.14 -0.05 0.00 0.09 0.00 0.00 60.65 60.57 1s4s h LYS 80 Cb 0.78 -0.08 -0.01 0.00 0.10 0.00 0.00 32.23 33.02 1s4s h LYS 80 CO 0.05 0.62 -0.04 0.93 -2.09 0.00 0.00 179.45 178.93 1s4s h GLU 81 N 0.56 0.48 -0.98 0.07 5.08 -1.36 -2.51 114.58 115.92 1s4s h GLU 81 Ca 0.11 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1s4s h GLU 81 Cb 0.38 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1s4s h GLU 81 CO 0.01 0.68 0.63 0.78 -1.00 0.00 0.00 179.01 180.11 1s4s h GLY 82 N 0.25 1.40 0.82 -3.84 0.00 -1.04 -1.55 103.07 99.11 1s4s h GLY 82 Ca 0.07 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1s4s h GLY 82 CO 0.02 0.54 -0.05 -2.08 0.00 0.00 0.00 176.54 174.96 1s4s h VAL 83 N 1.34 0.99 -0.35 4.60 2.07 -1.17 -1.10 116.25 122.63 1s4s h VAL 83 Ca 0.36 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1s4s h VAL 83 Cb -0.11 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1s4s h VAL 83 CO -0.07 0.10 0.23 0.00 0.02 0.00 0.00 177.57 177.85 1s4s h ALA 84 N 0.53 1.75 0.00 1.67 0.00 -1.31 -2.38 119.26 119.52 1s4s h ALA 84 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1s4s h ALA 84 Cb 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1s4s h ALA 84 CO 0.03 0.23 -0.24 0.77 0.00 0.00 0.00 179.25 180.04 1s4s h SER 85 N 0.48 0.00 0.00 0.00 0.02 -1.10 -3.47 113.55 109.47 1s4s h SER 85 Ca 0.13 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1s4s h SER 85 Cb -0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1s4s h SER 85 CO -0.03 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.28 1s4s n GLY 86 N 1.18 0.54 3.01 -3.77 0.00 -0.45 -5.00 105.19 100.69 1s4s n GLY 86 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 1s4s n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4s s ASN 87 N -2.12 -0.17 -0.22 1.61 2.20 -1.00 -5.04 114.94 110.19 1s4s s ASN 87 Ca 0.00 0.37 -0.11 0.00 -0.94 0.00 0.00 52.86 52.18 1s4s s ASN 87 Cb 0.00 0.30 0.08 0.00 -2.00 0.00 0.00 41.25 39.63 1s4s s ASN 87 CO 0.00 -0.11 0.52 -0.22 -2.94 0.00 0.00 177.10 174.35 1s4s s LEU 88 N 0.73 -0.59 -0.37 3.54 2.96 -1.26 -4.40 118.68 119.29 1s4s s LEU 88 Ca -0.05 1.18 0.04 0.00 -0.22 0.00 0.00 54.13 55.08 1s4s s LEU 88 Cb -0.07 1.77 0.18 0.00 0.50 0.00 0.00 46.19 48.57 1s4s s LEU 88 CO -0.04 -0.22 0.70 0.54 -1.32 0.00 0.00 176.35 176.02 1s4s s ASN 89 N 1.92 -1.33 0.02 3.68 4.22 -1.25 -1.75 114.94 120.46 1s4s s ASN 89 Ca -0.08 -0.49 -0.01 0.00 -2.14 0.00 0.00 52.86 50.15 1s4s s ASN 89 Cb -0.09 1.72 -0.02 0.00 1.28 0.00 0.00 41.25 44.15 1s4s s ASN 89 CO -0.16 -0.17 -0.01 0.28 -2.04 0.00 0.00 177.10 175.00 1s4s s THR 90 N 2.08 0.10 -0.04 0.54 -1.32 -0.81 -5.01 115.64 111.19 1s4s s THR 90 Ca 0.15 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.83 1s4s s THR 90 Cb -0.04 -0.25 0.03 0.00 -1.51 0.00 0.00 72.50 70.73 1s4s s THR 90 CO -0.12 -0.44 -0.00 -0.32 -2.21 0.00 0.00 174.62 171.53 1s4s s MET 91 N -1.31 0.38 0.14 7.08 1.75 -1.26 -1.01 119.30 125.08 1s4s s MET 91 Ca -0.14 0.07 -0.19 0.00 -1.25 0.00 0.00 55.69 54.18 1s4s s MET 91 Cb -0.09 -0.59 0.05 0.00 2.84 0.00 0.00 34.83 37.04 1s4s s MET 91 CO -0.01 -0.16 0.49 -0.59 -0.65 0.00 0.00 175.02 174.10 1s4s s PHE 92 N 1.18 -0.34 0.37 4.11 -0.71 -0.45 -5.00 117.98 117.14 1s4s s PHE 92 Ca -0.08 0.06 -0.05 0.00 -1.04 0.00 0.00 56.93 55.83 1s4s s PHE 92 Cb -0.13 0.39 -0.05 0.00 -1.21 0.00 0.00 43.02 42.02 1s4s s PHE 92 CO -0.02 -0.77 0.65 -1.21 -1.34 0.00 0.00 175.22 172.53 1s4s s GLU 93 N -3.79 3.60 0.32 1.99 2.02 -1.26 -0.37 118.70 121.22 1s4s s GLU 93 Ca 0.02 0.05 -0.17 0.00 0.02 0.00 0.00 54.97 54.89 1s4s s GLU 93 Cb 0.01 -2.54 0.03 0.00 0.10 0.00 0.00 34.13 31.73 1s4s s GLU 93 CO -0.12 0.05 0.72 -0.47 0.02 0.00 0.00 175.26 175.46 1s4s s TYR 94 N -2.36 0.03 -0.12 1.61 5.04 -0.45 -4.90 117.35 116.20 1s4s s TYR 94 Ca 0.45 -0.56 -0.01 0.00 -2.44 0.00 0.00 57.07 54.51 1s4s s TYR 94 Cb -0.10 0.70 0.03 0.00 0.35 0.00 0.00 41.96 42.93 1s4s s TYR 94 CO 0.36 -1.36 -0.06 0.99 -1.34 0.00 0.00 175.55 174.14 1s4s s THR 95 N -3.23 0.98 -0.25 4.34 2.01 -1.26 -1.88 115.64 116.36 1s4s s THR 95 Ca 0.14 -0.33 -0.23 0.00 0.31 0.00 0.00 61.69 61.59 1s4s s THR 95 Cb -0.05 -1.05 -0.01 0.00 0.01 0.00 0.00 72.50 71.40 1s4s s THR 95 CO 0.10 0.30 0.74 -0.36 -0.69 0.00 0.00 174.62 174.70 1s4s s PHE 96 N 1.72 3.30 0.00 4.92 0.40 -0.83 -4.89 117.98 122.59 1s4s s PHE 96 Ca 0.04 0.99 0.14 0.00 -0.60 0.00 0.00 56.93 57.50 1s4s s PHE 96 Cb -0.13 -2.95 0.24 0.00 0.51 0.00 0.00 43.02 40.68 1s4s s PHE 96 CO -0.08 -0.36 1.06 -0.40 0.70 0.00 0.00 175.22 176.14 1s4s n ASP 97 N 5.86 0.37 -4.50 1.36 5.75 -1.26 -0.74 116.55 123.38 1s4s n ASP 97 Ca 0.03 -1.93 -0.42 0.00 -0.01 0.00 0.00 54.79 52.46 1s4s n ASP 97 Cb 0.48 -0.15 -0.10 0.00 -1.03 0.00 0.00 41.12 40.32 1s4s n ASP 97 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1s4s s TYR 98 N 0.00 3.22 -0.94 2.11 5.04 -1.26 -4.34 117.35 121.18 1s4s s TYR 98 Ca 0.19 -0.32 0.00 0.00 -2.44 0.00 0.00 57.07 54.50 1s4s s TYR 98 Cb 0.21 -2.60 0.00 0.00 0.35 0.00 0.00 41.96 39.92 1s4s s TYR 98 CO -0.09 -0.49 0.00 1.04 -1.34 0.00 0.00 175.55 174.67 1s4s n GLN 99 N 5.24 -1.55 -4.07 4.97 6.02 -1.26 -4.94 117.38 121.79 1s4s n GLN 99 Ca -0.11 0.78 -0.10 0.00 -0.01 0.00 0.00 57.00 57.57 1s4s n GLN 99 Cb 0.48 -5.10 -0.08 0.00 1.02 0.00 0.00 30.24 26.56 1s4s n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s4s s MET 100 N -2.64 1.08 0.09 -1.09 0.23 -1.26 -5.13 119.30 110.59 1s4s s MET 100 Ca 0.00 -1.33 -0.31 0.00 -1.03 0.00 0.00 55.69 53.02 1s4s s MET 100 Cb 0.00 0.31 -0.08 0.00 -1.53 0.00 0.00 34.83 33.54 1s4s s MET 100 CO 0.00 -0.36 1.51 0.99 -2.03 0.00 0.00 175.02 175.12 1s4s s THR 101 N -4.02 3.17 -0.37 3.16 2.01 -1.26 -4.70 115.64 113.63 1s4s s THR 101 Ca 0.23 0.73 -0.41 0.00 0.31 0.00 0.00 61.69 62.55 1s4s s THR 101 Cb 0.05 -3.47 -0.16 0.00 0.01 0.00 0.00 72.50 68.93 1s4s s THR 101 CO 0.02 0.03 1.85 -2.65 -0.69 0.00 0.00 174.62 173.18 1s4s n PRO 102 N 4.75 0.75 -4.57 4.92 -0.02 -1.26 -4.78 135.00 134.80 1s4s n PRO 102 Ca 0.14 0.26 -0.28 0.00 -2.02 0.00 0.00 63.50 61.59 1s4s n PRO 102 Cb 0.41 -1.96 -0.17 0.00 -0.02 0.00 0.00 33.50 31.76 1s4s n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1s4s s THR 103 N 4.46 1.47 -0.15 3.45 2.01 0.08 -4.97 115.64 121.99 1s4s s THR 103 Ca 1.05 -0.64 -0.25 0.00 0.31 0.00 0.00 61.69 62.16 1s4s s THR 103 Cb -1.18 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 1s4s s THR 103 CO 0.66 0.43 0.80 -0.75 -0.69 0.00 0.00 174.62 175.08 1s4s s LYS 104 N 0.85 4.32 0.25 4.92 2.20 -1.26 -1.97 119.74 129.06 1s4s s LYS 104 Ca -0.10 0.98 0.04 0.00 -0.36 0.00 0.00 55.97 56.53 1s4s s LYS 104 Cb -0.15 -3.55 -0.05 0.00 -1.51 0.00 0.00 37.83 32.56 1s4s s LYS 104 CO 0.01 -0.25 0.00 0.14 -0.36 0.00 0.00 175.35 174.89 1s4s s VAL 105 N 1.88 1.12 -0.16 4.02 -7.23 -0.79 -2.80 120.40 116.44 1s4s s VAL 105 Ca 0.38 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 1s4s s VAL 105 Cb -0.17 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 34.34 1s4s s VAL 105 CO 0.14 -0.26 -0.15 -0.75 -0.31 0.00 0.00 175.10 173.76 1s4s s LYS 106 N -3.86 3.18 -0.02 4.82 2.20 0.94 -1.34 119.74 125.66 1s4s s LYS 106 Ca 0.30 -0.76 0.03 0.00 -0.36 0.00 0.00 55.97 55.19 1s4s s LYS 106 Cb 0.06 -2.64 -0.03 0.00 -1.51 0.00 0.00 37.83 33.70 1s4s s LYS 106 CO 0.10 -0.04 -0.10 0.08 -0.36 0.00 0.00 175.35 175.02 1s4s s VAL 107 N 0.96 3.37 -0.15 4.02 1.01 0.50 -1.96 120.40 128.15 1s4s s VAL 107 Ca -0.03 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1s4s s VAL 107 Cb -0.15 -2.40 0.04 0.00 0.00 0.00 0.00 36.38 33.87 1s4s s VAL 107 CO -0.03 0.49 -0.05 -2.28 0.00 0.00 0.00 175.10 173.23 1s4s s HIS 108 N -0.87 1.56 -0.12 5.22 2.46 -0.32 -1.34 115.29 121.88 1s4s s HIS 108 Ca 0.14 -0.96 -0.03 0.00 0.47 0.00 0.00 55.06 54.68 1s4s s HIS 108 Cb -0.11 -1.25 -0.03 0.00 -0.13 0.00 0.00 32.58 31.06 1s4s s HIS 108 CO 0.04 -0.58 0.01 -1.64 -2.47 0.00 0.00 174.74 170.09 1s4s s MET 109 N 1.68 3.36 -0.15 2.88 -1.94 -0.18 -0.51 119.30 124.44 1s4s s MET 109 Ca 0.02 -0.42 -0.17 0.00 -1.71 0.00 0.00 55.69 53.41 1s4s s MET 109 Cb -0.15 -2.91 0.04 0.00 2.01 0.00 0.00 34.83 33.82 1s4s s MET 109 CO -0.08 0.51 0.45 0.21 -0.01 0.00 0.00 175.02 176.10 1s4s s LYS 110 N -0.34 0.58 0.24 2.03 2.20 -0.02 -1.92 119.74 122.52 1s4s s LYS 110 Ca 0.07 0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 55.89 1s4s s LYS 110 Cb -0.12 0.28 -0.10 0.00 -1.51 0.00 0.00 37.83 36.38 1s4s s LYS 110 CO 0.02 -0.09 1.42 0.21 -0.36 0.00 0.00 175.35 176.55 1s4s s LYS 111 N -0.03 4.28 0.71 4.03 2.20 -0.71 0.11 119.74 130.33 1s4s s LYS 111 Ca -0.02 2.27 -0.11 0.00 -0.36 0.00 0.00 55.97 57.74 1s4s s LYS 111 Cb -0.03 -3.12 0.02 0.00 -1.51 0.00 0.00 37.83 33.19 1s4s s LYS 111 CO 0.02 -0.40 1.07 0.00 -0.36 0.00 0.00 175.35 175.68 1s4s s ALA 112 N 0.00 2.53 0.45 3.13 0.00 -0.56 -4.79 121.76 122.54 1s4s s ALA 112 Ca 0.59 0.20 0.17 0.00 0.00 0.00 0.00 51.96 52.92 1s4s s ALA 112 Cb -0.41 -3.22 1.12 0.00 0.00 0.00 0.00 23.12 20.61 1s4s s ALA 112 CO 0.43 -1.37 2.02 1.25 0.00 0.00 0.00 175.76 178.09 1s4s h LEU 113 N -0.71 0.00-10.26 0.00 6.46 -1.88 -3.43 115.31 105.49 1s4s h LEU 113 Ca -0.44 0.00 -0.44 0.00 -0.12 0.00 0.00 57.88 56.88 1s4s h LEU 113 Cb 1.22 0.00 0.18 0.00 -0.73 0.00 0.00 40.66 41.33 1s4s h LEU 113 CO 0.55 0.16 0.10 -0.55 -0.62 0.00 0.00 178.44 178.08 1s4s s SER 114 N -6.84 1.75 0.00 1.25 0.15 -1.26 -5.02 113.70 103.72 1s4s s SER 114 Ca -0.04 1.31 0.00 0.00 0.70 0.00 0.00 55.95 57.92 1s4s s SER 114 Cb 0.15 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 1s4s s SER 114 CO 0.67 -3.70 0.28 0.61 1.20 0.00 0.00 173.24 172.31 1s4s n GLY 115 N -0.20 -2.64 2.75 9.45 0.00 -1.26 -4.34 105.19 108.95 1s4s n GLY 115 Ca 0.04 0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1s4s n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s4s n ASP 116 N -0.33 6.61 -4.12 1.61 2.03 -1.26 -4.92 116.55 116.17 1s4s n ASP 116 Ca 0.00 -3.73 -0.14 0.00 0.52 0.00 0.00 54.79 51.43 1s4s n ASP 116 Cb 0.00 -0.95 -0.11 0.00 -0.72 0.00 0.00 41.12 39.33 1s4s n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1s4s s SER 117 N -1.89 1.20 0.01 1.67 1.04 -1.26 -3.11 113.70 111.35 1s4s s SER 117 Ca 0.45 -0.65 -0.00 0.00 0.48 0.00 0.00 55.95 56.23 1s4s s SER 117 Cb 0.30 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 1s4s s SER 117 CO -0.22 -0.20 -0.01 -0.31 0.98 0.00 0.00 173.24 173.48 1s4s s TYR 118 N -1.71 0.09 0.01 5.02 1.51 0.92 -1.49 117.35 121.69 1s4s s TYR 118 Ca -0.03 -0.18 -0.06 0.00 -1.01 0.00 0.00 57.07 55.79 1s4s s TYR 118 Cb -0.08 -0.07 -0.05 0.00 -0.11 0.00 0.00 41.96 41.66 1s4s s TYR 118 CO 0.00 -0.07 0.25 -1.58 -1.11 0.00 0.00 175.55 173.05 1s4s s TRP 119 N -0.52 3.57 -0.19 2.71 0.52 0.30 -0.57 118.94 124.76 1s4s s TRP 119 Ca -0.06 0.52 -0.01 0.00 0.02 0.00 0.00 56.10 56.58 1s4s s TRP 119 Cb -0.04 -1.95 0.05 0.00 -1.15 0.00 0.00 33.47 30.38 1s4s s TRP 119 CO -0.00 0.62 -0.02 0.08 0.02 0.00 0.00 176.95 177.64 1s4s s VAL 120 N -1.31 1.00 -0.19 4.03 1.01 0.15 -0.84 120.40 124.26 1s4s s VAL 120 Ca 0.28 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.48 1s4s s VAL 120 Cb -0.13 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 1s4s s VAL 120 CO 0.17 -0.04 -0.04 -0.36 0.00 0.00 0.00 175.10 174.83 1s4s s PHE 121 N 1.66 2.97 0.05 5.22 0.08 0.33 -0.23 117.98 128.06 1s4s s PHE 121 Ca -0.01 -0.62 0.09 0.00 0.12 0.00 0.00 56.93 56.50 1s4s s PHE 121 Cb -0.17 -2.03 -0.03 0.00 -0.57 0.00 0.00 43.02 40.22 1s4s s PHE 121 CO -0.07 -0.31 -0.24 0.08 -0.10 0.00 0.00 175.22 174.58 1s4s s VAL 122 N 0.96 2.35 0.04 -0.44 1.01 -0.49 -1.17 120.40 122.66 1s4s s VAL 122 Ca 0.00 -1.34 -0.16 0.00 0.00 0.00 0.00 61.98 60.48 1s4s s VAL 122 Cb -0.15 -1.95 0.03 0.00 0.00 0.00 0.00 36.38 34.32 1s4s s VAL 122 CO 0.01 0.35 0.37 -1.59 0.00 0.00 0.00 175.10 174.23 1s4s s LYS 123 N -1.33 0.87 0.29 2.72 -2.85 -0.83 0.13 119.74 118.74 1s4s s LYS 123 Ca 0.13 -0.41 -0.28 0.00 -1.00 0.00 0.00 55.97 54.41 1s4s s LYS 123 Cb -0.10 0.38 -0.09 0.00 -2.06 0.00 0.00 37.83 35.96 1s4s s LYS 123 CO 0.03 -0.29 0.96 1.03 0.10 0.00 0.00 175.35 177.19 1s4s s ARG 124 N -2.47 4.66 0.00 1.78 0.52 -1.26 -0.04 118.95 122.14 1s4s s ARG 124 Ca -0.05 1.44 0.00 0.00 -0.52 0.00 0.00 55.73 56.60 1s4s s ARG 124 Cb -0.01 -2.99 0.00 0.00 0.52 0.00 0.00 34.95 32.47 1s4s s ARG 124 CO -0.03 0.33 0.32 1.33 0.02 0.00 0.00 175.30 177.28