#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5t s SER 2 N 0.00 5.87 0.72 1.61 0.15 -1.26 -5.07 113.70 115.71 1x5t s SER 2 Ca 0.00 -1.67 -0.03 0.00 0.70 0.00 0.00 55.95 54.95 1x5t s SER 2 Cb 0.00 -2.08 0.11 0.00 -1.71 0.00 0.00 66.02 62.35 1x5t s SER 2 CO 0.00 -0.68 1.00 -0.44 1.20 0.00 0.00 173.24 174.32 1x5t s SER 3 N 2.71 4.40 -0.97 5.45 0.01 -1.26 -4.52 113.70 119.51 1x5t s SER 3 Ca 0.04 -0.16 -0.28 0.00 1.31 0.00 0.00 55.95 56.86 1x5t s SER 3 Cb -0.26 -0.28 0.04 0.00 0.21 0.00 0.00 66.02 65.73 1x5t s SER 3 CO 0.02 -1.82 0.55 0.61 0.41 0.00 0.00 173.24 173.00 1x5t n GLY 4 N -2.87 -0.69 3.56 3.44 0.00 -1.20 -4.74 105.19 102.69 1x5t n GLY 4 Ca 0.13 0.28 -0.37 0.00 0.00 0.00 0.00 46.02 46.07 1x5t n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5t s SER 5 N -3.76 5.76 0.08 1.61 0.01 -1.26 -4.53 113.70 111.60 1x5t s SER 5 Ca 0.38 -0.57 -0.01 0.00 1.31 0.00 0.00 55.95 57.06 1x5t s SER 5 Cb -0.21 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.46 1x5t s SER 5 CO 0.79 -2.13 -0.02 -1.20 0.41 0.00 0.00 173.24 171.09 1x5t n SER 6 N 11.31 1.09 -0.44 2.44 7.64 -1.26 -5.10 113.62 129.29 1x5t n SER 6 Ca 0.25 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1x5t n SER 6 Cb 0.50 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1x5t n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5t n GLY 7 N 3.35 -3.29 2.93 0.23 0.00 -1.26 -4.75 105.19 102.40 1x5t n GLY 7 Ca -0.01 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 1x5t n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x5t s ILE 8 N -3.50 0.06 -0.16 -0.61 -4.36 0.13 -4.04 121.20 108.73 1x5t s ILE 8 Ca 0.00 -0.48 -0.08 0.00 -0.26 0.00 0.00 60.65 59.83 1x5t s ILE 8 Cb 0.00 -0.14 -0.04 0.00 1.25 0.00 0.00 42.46 43.52 1x5t s ILE 8 CO 0.00 -0.26 0.12 0.12 0.24 0.00 0.00 174.94 175.16 1x5t s PHE 9 N -0.76 3.46 0.00 1.37 5.36 -0.49 -2.07 117.98 124.85 1x5t s PHE 9 Ca -0.08 0.38 0.03 0.00 -0.96 0.00 0.00 56.93 56.29 1x5t s PHE 9 Cb -0.05 -2.03 -0.01 0.00 -0.34 0.00 0.00 43.02 40.59 1x5t s PHE 9 CO -0.01 0.48 -0.10 0.42 -1.46 0.00 0.00 175.22 174.55 1x5t s ILE 10 N -0.31 0.77 0.10 3.12 1.01 -0.72 -2.08 121.20 123.08 1x5t s ILE 10 Ca 0.11 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1x5t s ILE 10 Cb -0.12 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 1x5t s ILE 10 CO 0.01 0.15 -0.02 -0.83 0.00 0.00 0.00 174.94 174.25 1x5t s GLY 11 N -0.41 0.76 -0.38 6.18 0.00 -1.22 -0.90 107.32 111.34 1x5t s GLY 11 Ca 0.03 -1.35 -0.01 0.00 0.00 0.00 0.00 44.72 43.39 1x5t s GLY 11 CO -0.00 -1.39 0.32 -2.01 0.00 0.00 0.00 173.10 170.01 1x5t n ASN 12 N -0.02 -2.33 -4.66 1.64 5.15 -0.57 -2.98 115.26 111.49 1x5t n ASN 12 Ca -0.11 -0.18 -0.38 0.00 -0.60 0.00 0.00 54.58 53.31 1x5t n ASN 12 Cb 0.62 -1.90 -0.08 0.00 -0.53 0.00 0.00 39.78 37.88 1x5t n ASN 12 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x5t s LEU 13 N -3.23 4.13 0.32 1.20 1.43 0.08 -4.17 118.68 118.44 1x5t s LEU 13 Ca 0.04 0.37 -0.28 0.00 -1.03 0.00 0.00 54.13 53.24 1x5t s LEU 13 Cb -0.02 -2.38 -0.13 0.00 0.03 0.00 0.00 46.19 43.69 1x5t s LEU 13 CO 0.22 -0.04 1.16 -0.67 0.23 0.00 0.00 176.35 177.25 1x5t n ASP 14 N 4.49 2.10 0.00 2.29 2.03 -1.26 -4.61 116.55 121.59 1x5t n ASP 14 Ca -0.10 1.20 0.07 0.00 0.52 0.00 0.00 54.79 56.48 1x5t n ASP 14 Cb 0.51 -1.40 0.40 0.00 -0.72 0.00 0.00 41.12 39.92 1x5t n ASP 14 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1x5t n PRO 15 N 0.63 0.29 0.02 -0.67 -0.04 -1.26 -1.97 135.00 132.01 1x5t n PRO 15 Ca 0.07 0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 1x5t n PRO 15 Cb 0.34 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.40 1x5t n PRO 15 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x5t n GLU 16 N -1.20 0.14 -3.25 0.54 1.02 -1.26 -4.87 120.64 111.76 1x5t n GLU 16 Ca 0.08 0.01 -0.39 0.00 -0.02 0.00 0.00 57.16 56.85 1x5t n GLU 16 Cb 0.10 -1.56 -0.06 0.00 -0.02 0.00 0.00 31.44 29.90 1x5t n GLU 16 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1x5t s ILE 17 N -3.09 4.71 0.17 -3.67 1.01 -0.83 -5.08 121.20 114.41 1x5t s ILE 17 Ca 0.07 1.25 0.10 0.00 0.00 0.00 0.00 60.65 62.07 1x5t s ILE 17 Cb 0.16 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1x5t s ILE 17 CO 0.77 0.55 -0.16 1.51 0.00 0.00 0.00 174.94 177.61 1x5t s ASP 18 N -1.11 3.94 0.28 3.58 -4.77 -1.26 -4.97 116.67 112.36 1x5t s ASP 18 Ca 0.29 -0.65 -0.01 0.00 -3.30 0.00 0.00 52.55 48.89 1x5t s ASP 18 Cb -0.20 -0.55 0.64 0.00 -1.09 0.00 0.00 42.92 41.72 1x5t s ASP 18 CO 0.20 0.13 1.46 -0.62 0.70 0.00 0.00 175.17 177.03 1x5t n GLU 19 N 0.30 -0.08 -0.10 2.11 1.02 -1.26 -0.39 120.64 122.24 1x5t n GLU 19 Ca -0.12 1.41 -0.14 0.00 -0.02 0.00 0.00 57.16 58.28 1x5t n GLU 19 Cb 0.55 -2.20 -0.10 0.00 -0.02 0.00 0.00 31.44 29.67 1x5t n GLU 19 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1x5t h LYS 20 N 0.00 -0.43 0.20 3.49 1.79 -1.95 -1.41 116.57 118.26 1x5t h LYS 20 Ca 0.53 0.03 0.01 0.00 -2.18 0.00 0.00 60.65 59.04 1x5t h LYS 20 Cb 1.04 0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 31.74 1x5t h LYS 20 CO -0.90 -0.28 -0.47 1.25 -1.08 0.00 0.00 179.45 177.96 1x5t h LEU 21 N -0.44 -1.39 -0.96 2.94 5.85 -1.12 -2.25 115.31 117.94 1x5t h LEU 21 Ca 0.06 0.14 0.19 0.00 0.84 0.00 0.00 57.88 59.12 1x5t h LEU 21 Cb 0.61 0.51 -0.18 0.00 0.37 0.00 0.00 40.66 41.96 1x5t h LEU 21 CO -0.55 -0.55 -0.23 0.18 -0.34 0.00 0.00 178.44 176.95 1x5t n LEU 22 N -5.49 -0.34 -0.10 2.25 4.77 -0.93 -0.25 117.00 116.92 1x5t n LEU 22 Ca -0.09 1.64 -0.11 0.00 -0.03 0.00 0.00 56.01 57.43 1x5t n LEU 22 Cb 0.41 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 1x5t n LEU 22 CO 0.19 -1.58 0.56 0.22 -1.33 0.00 0.00 177.39 175.46 1x5t h TYR 23 N 0.00 -1.33 0.56 -1.77 5.03 -0.65 -0.44 116.97 118.38 1x5t h TYR 23 Ca 0.46 0.07 -0.03 0.00 2.58 0.00 0.00 58.73 61.81 1x5t h TYR 23 Cb 0.71 0.63 0.01 0.00 1.55 0.00 0.00 36.73 39.63 1x5t h TYR 23 CO -0.73 -0.46 -0.27 0.22 -1.32 0.00 0.00 178.16 175.60 1x5t h ASP 24 N -0.38 -0.64 -1.27 -2.11 1.82 -0.54 0.59 116.42 113.88 1x5t h ASP 24 Ca 0.11 -0.04 0.45 0.00 -0.39 0.00 0.00 57.03 57.16 1x5t h ASP 24 Cb 0.60 0.17 -0.14 0.00 0.68 0.00 0.00 39.33 40.63 1x5t h ASP 24 CO -0.54 -0.29 0.80 0.41 -1.61 0.00 0.00 179.24 178.01 1x5t n THR 25 N -5.32 -0.27 0.00 2.25 -1.04 0.61 0.21 114.28 110.72 1x5t n THR 25 Ca -0.11 1.78 0.05 0.00 -2.04 0.00 0.00 64.05 63.72 1x5t n THR 25 Cb 0.33 -2.92 -0.12 0.00 -1.82 0.00 0.00 70.33 65.81 1x5t n THR 25 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1x5t n PHE 26 N -4.74 0.38 -0.35 -1.42 3.01 -0.19 -4.27 117.46 109.86 1x5t n PHE 26 Ca 0.39 0.12 0.04 0.00 1.01 0.00 0.00 57.45 59.00 1x5t n PHE 26 Cb 1.47 -0.80 0.19 0.00 -0.01 0.00 0.00 39.48 40.33 1x5t n PHE 26 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1x5t h SER 27 N 0.00 0.94 -0.88 4.37 0.87 0.81 -2.22 113.55 117.44 1x5t h SER 27 Ca -0.14 0.03 0.21 0.00 -1.23 0.00 0.00 61.79 60.65 1x5t h SER 27 Cb 1.37 -0.17 -0.16 0.00 -0.44 0.00 0.00 62.40 63.00 1x5t h SER 27 CO 0.02 0.56 -0.06 0.00 -0.53 0.00 0.00 176.83 176.82 1x5t h ALA 28 N 1.48 0.86 0.20 6.23 0.00 -1.58 -2.50 119.26 123.95 1x5t h ALA 28 Ca 0.44 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.65 1x5t h ALA 28 Cb 0.30 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1x5t h ALA 28 CO -0.21 -0.46 -0.10 0.74 0.00 0.00 0.00 179.25 179.22 1x5t h PHE 29 N 0.04 -0.25 -4.59 0.00 0.04 -1.68 -3.48 116.94 107.02 1x5t h PHE 29 Ca 0.48 -0.01 -0.44 0.00 2.80 0.00 0.00 57.97 60.81 1x5t h PHE 29 Cb 0.88 0.08 -0.11 0.00 2.20 0.00 0.00 35.95 39.00 1x5t h PHE 29 CO -0.53 -0.16 -0.42 0.41 -0.60 0.00 0.00 178.31 177.01 1x5t n GLY 30 N -0.04 3.07 3.85 -1.45 0.00 -0.94 -4.96 105.19 104.72 1x5t n GLY 30 Ca -0.03 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 1x5t n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5t s VAL 31 N -3.17 4.65 -0.09 1.61 1.01 -1.26 -4.00 120.40 119.14 1x5t s VAL 31 Ca 0.33 0.98 -0.02 0.00 0.00 0.00 0.00 61.98 63.27 1x5t s VAL 31 Cb 0.02 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1x5t s VAL 31 CO 0.23 -0.32 0.00 -0.63 0.00 0.00 0.00 175.10 174.39 1x5t s ILE 32 N -2.15 4.31 0.02 2.22 1.01 -1.26 -1.65 121.20 123.70 1x5t s ILE 32 Ca 0.55 -0.24 -0.25 0.00 0.00 0.00 0.00 60.65 60.71 1x5t s ILE 32 Cb -0.10 -2.82 -0.18 0.00 0.01 0.00 0.00 42.46 39.37 1x5t s ILE 32 CO 0.21 0.59 1.44 -0.07 0.00 0.00 0.00 174.94 177.11 1x5t h LEU 33 N 5.32 0.02 -7.17 2.97 3.38 -1.74 -3.44 115.31 114.65 1x5t h LEU 33 Ca -0.49 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.11 1x5t h LEU 33 Cb 1.19 -0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.78 1x5t h LEU 33 CO 0.55 0.33 0.07 0.00 0.09 0.00 0.00 178.44 179.48 1x5t s GLN 34 N -4.94 1.08 0.12 1.13 -2.07 -1.26 -5.04 119.66 108.68 1x5t s GLN 34 Ca -0.15 -0.30 -0.23 0.00 -1.82 0.00 0.00 55.36 52.86 1x5t s GLN 34 Cb 0.03 0.50 -0.13 0.00 -1.09 0.00 0.00 33.01 32.32 1x5t s GLN 34 CO 0.67 -0.41 0.49 2.41 -1.32 0.00 0.00 175.29 177.13 1x5t n THR 35 N 0.23 1.17 -2.23 3.63 -1.04 -1.26 -4.74 114.28 110.04 1x5t n THR 35 Ca -0.18 -0.29 -0.35 0.00 -2.04 0.00 0.00 64.05 61.19 1x5t n THR 35 Cb 0.61 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 1x5t n THR 35 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1x5t s PRO 36 N -0.58 3.32 -0.24 -2.82 0.04 -1.26 -4.95 135.00 128.50 1x5t s PRO 36 Ca 0.53 1.60 -0.08 0.00 0.04 0.00 0.00 61.00 63.08 1x5t s PRO 36 Cb -0.76 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 1x5t s PRO 36 CO 0.42 -0.87 0.11 0.15 0.04 0.00 0.00 177.00 176.85 1x5t s LYS 37 N -3.34 3.83 -0.31 4.56 1.02 -0.68 -4.89 119.74 119.94 1x5t s LYS 37 Ca 0.72 -0.39 -0.03 0.00 0.02 0.00 0.00 55.97 56.29 1x5t s LYS 37 Cb -0.24 -3.40 0.05 0.00 -0.52 0.00 0.00 37.83 33.72 1x5t s LYS 37 CO 0.28 -0.06 0.03 0.42 -0.92 0.00 0.00 175.35 175.10 1x5t s ILE 38 N 1.33 3.20 0.18 2.17 1.01 -1.26 -0.93 121.20 126.89 1x5t s ILE 38 Ca 0.06 -1.35 -0.31 0.00 0.00 0.00 0.00 60.65 59.05 1x5t s ILE 38 Cb -0.15 -2.84 -0.09 0.00 0.01 0.00 0.00 42.46 39.39 1x5t s ILE 38 CO 0.05 -0.15 1.40 -0.04 0.00 0.00 0.00 174.94 176.20 1x5t s MET 39 N 1.29 4.32 -0.01 2.79 -1.94 -1.23 -4.98 119.30 119.53 1x5t s MET 39 Ca -0.04 2.15 0.05 0.00 -1.71 0.00 0.00 55.69 56.15 1x5t s MET 39 Cb -0.20 -3.19 -0.01 0.00 2.01 0.00 0.00 34.83 33.44 1x5t s MET 39 CO -0.00 -0.39 -0.17 1.03 -0.01 0.00 0.00 175.02 175.48 1x5t s ARG 40 N 0.38 1.36 -0.21 2.03 0.52 -1.26 -2.82 118.95 118.95 1x5t s ARG 40 Ca 0.61 -0.60 -0.28 0.00 -0.52 0.00 0.00 55.73 54.94 1x5t s ARG 40 Cb -0.39 -1.32 -0.05 0.00 0.52 0.00 0.00 34.95 33.71 1x5t s ARG 40 CO 0.36 0.36 2.22 -0.25 0.02 0.00 0.00 175.30 178.01 1x5t n ASP 41 N 2.67 3.29 0.00 0.23 8.00 -0.85 -4.81 116.55 125.07 1x5t n ASP 41 Ca -0.15 0.23 0.08 0.00 0.71 0.00 0.00 54.79 55.66 1x5t n ASP 41 Cb 0.54 -1.55 0.42 0.00 -0.02 0.00 0.00 41.12 40.51 1x5t n ASP 41 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1x5t n PRO 42 N 8.71 0.35 -0.09 -0.24 -0.04 -1.26 -0.43 135.00 142.00 1x5t n PRO 42 Ca 0.30 0.07 -0.11 0.00 -0.04 0.00 0.00 63.50 63.72 1x5t n PRO 42 Cb 0.44 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 1x5t n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x5t n ASP 43 N -1.14 1.86 -0.02 3.54 8.00 -1.26 -4.70 116.55 122.83 1x5t n ASP 43 Ca 0.09 0.50 -0.20 0.00 0.71 0.00 0.00 54.79 55.90 1x5t n ASP 43 Cb 0.09 -0.86 -0.13 0.00 -0.02 0.00 0.00 41.12 40.20 1x5t n ASP 43 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1x5t h THR 44 N -1.00 1.17 0.00 -3.53 1.35 -1.96 -3.49 112.91 105.45 1x5t h THR 44 Ca -0.13 -2.36 0.00 0.00 -0.55 0.00 0.00 66.41 63.37 1x5t h THR 44 Cb 0.87 2.77 0.00 0.00 -1.73 0.00 0.00 68.15 70.06 1x5t h THR 44 CO -0.08 0.62 0.00 0.61 -0.25 0.00 0.00 175.52 176.42 1x5t n GLY 45 N 1.66 0.89 3.24 5.82 0.00 0.42 -5.08 105.19 112.14 1x5t n GLY 45 Ca -0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 1x5t n GLY 45 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x5t s ASN 46 N -1.77 1.23 -0.33 1.61 -0.87 -1.25 -4.96 114.94 108.59 1x5t s ASN 46 Ca 0.00 -1.17 -0.28 0.00 -1.57 0.00 0.00 52.86 49.84 1x5t s ASN 46 Cb 0.00 0.11 -0.04 0.00 -0.02 0.00 0.00 41.25 41.31 1x5t s ASN 46 CO 0.00 -0.56 2.05 -0.44 -2.57 0.00 0.00 177.10 175.58 1x5t s SER 47 N -3.17 5.47 0.12 -1.22 0.01 -1.26 -2.01 113.70 111.63 1x5t s SER 47 Ca 0.24 1.42 -0.29 0.00 1.31 0.00 0.00 55.95 58.62 1x5t s SER 47 Cb 0.06 -2.52 -0.10 0.00 0.21 0.00 0.00 66.02 63.68 1x5t s SER 47 CO 0.04 -2.03 1.48 0.11 0.41 0.00 0.00 173.24 173.25 1x5t h LYS 48 N 14.83 -0.33 0.00 12.44 1.57 -1.86 -3.46 116.57 139.76 1x5t h LYS 48 Ca -0.35 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1x5t h LYS 48 Cb 1.21 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1x5t h LYS 48 CO 1.04 -0.22 0.00 0.41 -0.57 0.00 0.00 179.45 180.11 1x5t n GLY 49 N -1.33 1.13 3.56 3.86 0.00 -1.26 -4.99 105.19 106.16 1x5t n GLY 49 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1x5t n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x5t s TYR 50 N 0.00 2.98 0.11 1.61 -0.85 -1.26 -0.74 117.35 119.21 1x5t s TYR 50 Ca 0.00 -0.08 0.02 0.00 -0.52 0.00 0.00 57.07 56.50 1x5t s TYR 50 Cb 0.00 -1.80 -0.04 0.00 0.38 0.00 0.00 41.96 40.50 1x5t s TYR 50 CO 0.00 0.22 -0.07 0.00 -1.52 0.00 0.00 175.55 174.18 1x5t s ALA 51 N -0.44 1.11 -0.13 9.51 0.00 -0.08 -3.47 121.76 128.28 1x5t s ALA 51 Ca 0.07 -1.40 0.02 0.00 0.00 0.00 0.00 51.96 50.65 1x5t s ALA 51 Cb -0.12 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1x5t s ALA 51 CO 0.02 -0.20 -0.21 -0.06 0.00 0.00 0.00 175.76 175.31 1x5t s PHE 52 N -3.55 2.67 0.01 0.00 0.40 -0.10 -1.75 117.98 115.65 1x5t s PHE 52 Ca 0.14 -1.12 0.05 0.00 -0.60 0.00 0.00 56.93 55.39 1x5t s PHE 52 Cb 0.05 -1.80 -0.01 0.00 0.51 0.00 0.00 43.02 41.77 1x5t s PHE 52 CO -0.03 -0.48 -0.15 0.42 0.70 0.00 0.00 175.22 175.68 1x5t s ILE 53 N 0.61 1.15 0.01 0.64 1.01 -0.88 -1.68 121.20 122.07 1x5t s ILE 53 Ca -0.11 -0.76 0.08 0.00 0.00 0.00 0.00 60.65 59.86 1x5t s ILE 53 Cb -0.16 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 1x5t s ILE 53 CO 0.03 0.22 -0.24 0.20 0.00 0.00 0.00 174.94 175.15 1x5t s ASN 54 N -0.61 3.30 0.39 3.58 -0.87 -1.26 0.22 114.94 119.68 1x5t s ASN 54 Ca 0.04 -0.48 0.08 0.00 -1.57 0.00 0.00 52.86 50.93 1x5t s ASN 54 Cb -0.06 -0.41 -0.01 0.00 -0.02 0.00 0.00 41.25 40.75 1x5t s ASN 54 CO 0.00 0.29 0.44 -0.36 -2.57 0.00 0.00 177.10 174.90 1x5t s PHE 55 N -0.74 2.86 -0.12 2.20 0.40 -1.26 -2.94 117.98 118.37 1x5t s PHE 55 Ca 0.11 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 55.95 1x5t s PHE 55 Cb -0.10 -2.13 -0.26 0.00 0.51 0.00 0.00 43.02 41.04 1x5t s PHE 55 CO 0.01 -0.13 0.43 0.00 0.70 0.00 0.00 175.22 176.23 1x5t h ALA 56 N 0.92 0.30 -3.30 5.36 0.00 -1.55 -3.40 119.26 117.60 1x5t h ALA 56 Ca -0.42 -1.25 -0.64 0.00 0.00 0.00 0.00 54.91 52.60 1x5t h ALA 56 Cb 1.27 0.62 -0.22 0.00 0.00 0.00 0.00 17.79 19.45 1x5t h ALA 56 CO 0.53 1.04 -0.68 -1.54 0.00 0.00 0.00 179.25 178.60 1x5t s SER 57 N -7.05 4.70 0.27 0.00 1.04 -1.26 -3.21 113.70 108.20 1x5t s SER 57 Ca -0.22 -0.15 -0.02 0.00 0.48 0.00 0.00 55.95 56.04 1x5t s SER 57 Cb 0.06 -1.76 0.60 0.00 0.10 0.00 0.00 66.02 65.02 1x5t s SER 57 CO 0.75 0.17 1.64 -0.26 0.98 0.00 0.00 173.24 176.52 1x5t h PHE 58 N 6.72 0.16 -0.42 5.02 0.04 -1.89 0.38 116.94 126.95 1x5t h PHE 58 Ca -0.31 0.05 0.09 0.00 2.80 0.00 0.00 57.97 60.60 1x5t h PHE 58 Cb 1.19 0.06 -0.09 0.00 2.20 0.00 0.00 35.95 39.31 1x5t h PHE 58 CO 0.53 -0.24 -0.23 -0.44 -0.60 0.00 0.00 178.31 177.33 1x5t h ASP 59 N 0.15 -0.78 -0.63 2.17 3.32 -1.99 -1.62 116.42 117.05 1x5t h ASP 59 Ca 0.50 0.17 0.12 0.00 0.02 0.00 0.00 57.03 57.83 1x5t h ASP 59 Cb 0.96 0.41 -0.12 0.00 0.22 0.00 0.00 39.33 40.80 1x5t h ASP 59 CO -0.68 -0.26 -0.27 0.00 -1.72 0.00 0.00 179.24 176.31 1x5t h ALA 60 N 1.07 0.14 -1.05 3.45 0.00 -1.29 0.37 119.26 121.95 1x5t h ALA 60 Ca 0.20 0.20 0.27 0.00 0.00 0.00 0.00 54.91 55.58 1x5t h ALA 60 Cb 0.46 0.69 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 1x5t h ALA 60 CO -0.51 -0.58 0.67 1.03 0.00 0.00 0.00 179.25 179.86 1x5t h SER 61 N -0.10 0.47 -0.19 0.00 0.87 -1.22 0.14 113.55 113.52 1x5t h SER 61 Ca 0.27 0.09 -0.12 0.00 -1.23 0.00 0.00 61.79 60.80 1x5t h SER 61 Cb 0.54 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1x5t h SER 61 CO -0.69 0.07 -0.36 0.44 -0.53 0.00 0.00 176.83 175.76 1x5t h ASP 62 N 0.40 0.65 -0.55 6.23 5.19 -0.16 -2.95 116.42 125.24 1x5t h ASP 62 Ca 0.62 -0.54 0.11 0.00 -0.62 0.00 0.00 57.03 56.59 1x5t h ASP 62 Cb 1.53 -0.19 -0.11 0.00 0.18 0.00 0.00 39.33 40.74 1x5t h ASP 62 CO -0.33 1.07 -0.20 0.00 -3.12 0.00 0.00 179.24 176.67 1x5t h ALA 63 N 0.60 0.24 0.83 3.45 0.00 0.22 -0.80 119.26 123.80 1x5t h ALA 63 Ca 0.01 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1x5t h ALA 63 Cb 0.96 0.52 0.01 0.00 0.00 0.00 0.00 17.79 19.28 1x5t h ALA 63 CO 0.08 -0.51 -0.40 0.00 0.00 0.00 0.00 179.25 178.42 1x5t h ALA 64 N 1.37 -1.12 0.00 0.00 0.00 -1.52 -1.05 119.26 116.94 1x5t h ALA 64 Ca 0.26 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1x5t h ALA 64 Cb 0.46 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1x5t h ALA 64 CO -0.60 -1.10 0.53 0.82 0.00 0.00 0.00 179.25 178.90 1x5t h ILE 65 N -1.17 0.00 0.08 0.00 2.04 -1.26 1.33 117.51 118.53 1x5t h ILE 65 Ca -0.11 0.00 -0.28 0.00 1.00 0.00 0.00 64.86 65.47 1x5t h ILE 65 Cb 0.86 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1x5t h ILE 65 CO 0.19 0.00 -1.47 -0.08 0.00 0.00 0.00 178.15 176.79 1x5t h GLU 66 N 0.00 0.16 0.00 2.37 4.81 -0.48 -3.37 114.58 118.07 1x5t h GLU 66 Ca 0.00 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1x5t h GLU 66 Cb 1.06 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1x5t h GLU 66 CO 0.00 1.13 -0.67 0.00 -0.73 0.00 0.00 179.01 178.75 1x5t n ALA 67 N -3.11 1.36 -0.38 2.92 0.00 0.67 -4.56 120.51 117.41 1x5t n ALA 67 Ca -0.29 -0.57 0.35 0.00 0.00 0.00 0.00 53.44 52.94 1x5t n ALA 67 Cb 0.85 0.08 0.70 0.00 0.00 0.00 0.00 19.45 21.08 1x5t n ALA 67 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1x5t h MET 68 N -0.67 0.09 -5.04 0.00 2.86 0.14 -3.16 114.93 109.15 1x5t h MET 68 Ca 0.00 -0.01 -0.31 0.00 -2.06 0.00 0.00 59.70 57.32 1x5t h MET 68 Cb 0.67 -0.02 0.06 0.00 0.06 0.00 0.00 31.60 32.37 1x5t h MET 68 CO 0.00 0.06 0.81 -1.71 1.06 0.00 0.00 176.91 177.13 1x5t n ASN 69 N -4.31 1.44 0.00 1.22 2.85 -0.17 -1.21 115.26 115.08 1x5t n ASN 69 Ca 0.29 -2.53 0.00 0.00 -0.11 0.00 0.00 54.58 52.23 1x5t n ASN 69 Cb 1.28 -1.20 0.00 0.00 1.24 0.00 0.00 39.78 41.10 1x5t n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5t n GLY 70 N 5.54 1.74 3.18 8.20 0.00 -0.81 -4.82 105.19 118.22 1x5t n GLY 70 Ca 0.44 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.93 1x5t n GLY 70 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x5t n GLN 71 N 0.00 0.00 -2.33 1.61 1.13 -0.35 -4.39 117.38 113.05 1x5t n GLN 71 Ca 0.00 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 1x5t n GLN 71 Cb 0.00 -1.35 -0.03 0.00 0.11 0.00 0.00 30.24 28.98 1x5t n GLN 71 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 1x5t s TYR 72 N -0.04 2.16 0.64 1.08 5.04 -1.26 -2.78 117.35 122.19 1x5t s TYR 72 Ca 0.82 0.48 0.01 0.00 -2.44 0.00 0.00 57.07 55.94 1x5t s TYR 72 Cb -1.14 -4.35 0.08 0.00 0.35 0.00 0.00 41.96 36.90 1x5t s TYR 72 CO 0.52 -2.09 0.88 -1.17 -1.34 0.00 0.00 175.55 172.35 1x5t s LEU 73 N 6.53 3.11 -0.49 6.97 2.96 -0.75 -4.85 118.68 132.16 1x5t s LEU 73 Ca 0.55 -0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 54.13 1x5t s LEU 73 Cb -0.11 -2.31 -0.16 0.00 0.50 0.00 0.00 46.19 44.11 1x5t s LEU 73 CO 0.24 -1.52 1.10 0.00 -1.32 0.00 0.00 176.35 174.84 1x5t n ASN 75 N 3.02 0.61 -3.15 0.00 2.85 -1.26 -4.60 115.26 112.73 1x5t n ASN 75 Ca 0.33 -1.08 0.05 0.00 -0.11 0.00 0.00 54.58 53.77 1x5t n ASN 75 Cb 0.06 -1.35 -0.02 0.00 1.24 0.00 0.00 39.78 39.72 1x5t n ASN 75 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1x5t s ARG 76 N -6.68 0.26 -0.40 1.20 0.52 0.18 -4.98 118.95 109.05 1x5t s ARG 76 Ca 0.06 0.46 -0.28 0.00 -0.52 0.00 0.00 55.73 55.44 1x5t s ARG 76 Cb -0.03 0.25 -0.01 0.00 0.52 0.00 0.00 34.95 35.67 1x5t s ARG 76 CO 0.85 -0.28 1.73 -1.25 0.02 0.00 0.00 175.30 176.37 1x5t s PRO 77 N 2.94 3.25 0.75 3.54 0.04 -1.26 -1.82 135.00 142.43 1x5t s PRO 77 Ca 0.03 1.17 -0.08 0.00 0.04 0.00 0.00 61.00 62.16 1x5t s PRO 77 Cb -0.11 -4.20 0.08 0.00 0.04 0.00 0.00 34.50 30.31 1x5t s PRO 77 CO -0.13 -1.97 1.07 0.96 0.04 0.00 0.00 177.00 176.98 1x5t s ILE 78 N 7.01 2.18 0.03 0.56 -4.36 -1.12 -4.77 121.20 120.74 1x5t s ILE 78 Ca 0.74 -0.20 0.00 0.00 -0.26 0.00 0.00 60.65 60.93 1x5t s ILE 78 Cb -0.19 -2.99 -0.03 0.00 1.25 0.00 0.00 42.46 40.51 1x5t s ILE 78 CO 0.31 0.00 -0.04 0.28 0.24 0.00 0.00 174.94 175.73 1x5t s THR 79 N -3.36 0.19 -0.09 8.37 -1.32 -1.16 -1.92 115.64 116.35 1x5t s THR 79 Ca 0.62 -1.15 0.00 0.00 -1.21 0.00 0.00 61.69 59.95 1x5t s THR 79 Cb -0.10 -0.60 0.02 0.00 -1.51 0.00 0.00 72.50 70.31 1x5t s THR 79 CO 0.46 -0.61 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.51 1x5t s VAL 80 N -2.05 0.88 -0.15 5.08 1.01 -1.26 -3.43 120.40 120.47 1x5t s VAL 80 Ca -0.10 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 1x5t s VAL 80 Cb -0.06 -0.90 0.05 0.00 0.00 0.00 0.00 36.38 35.47 1x5t s VAL 80 CO -0.03 0.33 0.38 -0.44 0.00 0.00 0.00 175.10 175.35 1x5t s SER 81 N 1.50 -0.44 0.15 3.32 0.01 -0.88 -4.69 113.70 112.65 1x5t s SER 81 Ca 0.00 0.80 -0.34 0.00 1.31 0.00 0.00 55.95 57.73 1x5t s SER 81 Cb -0.13 0.75 -0.16 0.00 0.21 0.00 0.00 66.02 66.68 1x5t s SER 81 CO -0.05 -0.16 1.20 -1.22 0.41 0.00 0.00 173.24 173.42 1x5t n TYR 82 N 3.60 1.33 -1.79 2.43 4.01 -1.26 -1.39 117.16 124.09 1x5t n TYR 82 Ca -0.19 0.68 -0.42 0.00 -0.16 0.00 0.00 57.90 57.81 1x5t n TYR 82 Cb 0.56 -2.29 -0.03 0.00 -0.31 0.00 0.00 39.34 37.27 1x5t n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1x5t s ALA 83 N -0.01 3.61 0.37 -0.72 0.00 -1.26 -4.75 121.76 119.00 1x5t s ALA 83 Ca 0.76 1.21 -0.23 0.00 0.00 0.00 0.00 51.96 53.70 1x5t s ALA 83 Cb -0.89 -3.80 -0.14 0.00 0.00 0.00 0.00 23.12 18.29 1x5t s ALA 83 CO 0.51 -1.48 0.40 1.97 0.00 0.00 0.00 175.76 177.16 1x5t n PHE 84 N 7.24 -0.98 -3.77 0.00 -1.74 -1.26 -4.97 117.46 111.97 1x5t n PHE 84 Ca 0.19 0.67 -0.27 0.00 -0.56 0.00 0.00 57.45 57.48 1x5t n PHE 84 Cb 0.41 -1.92 -0.17 0.00 1.52 0.00 0.00 39.48 39.33 1x5t n PHE 84 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 1x5t s LYS 85 N -1.28 0.81 0.43 3.97 2.47 -1.26 -5.13 119.74 119.74 1x5t s LYS 85 Ca 0.62 -0.36 -0.21 0.00 -1.56 0.00 0.00 55.97 54.46 1x5t s LYS 85 Cb -0.67 -1.90 -0.11 0.00 -1.46 0.00 0.00 37.83 33.69 1x5t s LYS 85 CO 0.59 -0.54 0.95 0.21 0.16 0.00 0.00 175.35 176.73 1x5t s LYS 86 N 1.83 4.22 -0.92 4.03 2.47 -1.26 -4.03 119.74 126.08 1x5t s LYS 86 Ca 0.00 1.13 -0.02 0.00 -1.56 0.00 0.00 55.97 55.53 1x5t s LYS 86 Cb -0.16 -2.19 0.00 0.00 -1.46 0.00 0.00 37.83 34.02 1x5t s LYS 86 CO -0.07 -0.04 0.78 -3.47 0.16 0.00 0.00 175.35 172.71 1x5t n ASP 87 N -0.62 -2.99 -3.74 1.43 2.03 -1.26 -5.01 116.55 106.38 1x5t n ASP 87 Ca 0.07 -0.44 -0.30 0.00 0.52 0.00 0.00 54.79 54.64 1x5t n ASP 87 Cb 0.54 -3.88 -0.15 0.00 -0.72 0.00 0.00 41.12 36.90 1x5t n ASP 87 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1x5t s SER 88 N -3.77 3.96 -0.04 1.67 0.01 -1.26 -4.96 113.70 109.32 1x5t s SER 88 Ca 0.13 -1.58 0.12 0.00 1.31 0.00 0.00 55.95 55.93 1x5t s SER 88 Cb -0.06 -0.87 0.41 0.00 0.21 0.00 0.00 66.02 65.71 1x5t s SER 88 CO 0.54 -0.40 1.30 2.29 0.41 0.00 0.00 173.24 177.37 1x5t n LYS 89 N 4.85 2.35 0.00 12.44 0.00 -1.26 -4.98 118.16 131.55 1x5t n LYS 89 Ca -0.03 -1.64 0.00 0.00 -0.00 0.00 0.00 58.31 56.65 1x5t n LYS 89 Cb 0.42 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.95 1x5t n LYS 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x5t n GLY 90 N 0.97 0.30 3.64 2.58 0.00 -1.26 -4.54 105.19 106.89 1x5t n GLY 90 Ca 0.15 0.66 -0.04 0.00 0.00 0.00 0.00 46.02 46.79 1x5t n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5t s SER 91 N -4.00 -0.35 0.00 1.61 1.04 -1.26 -5.18 113.70 105.56 1x5t s SER 91 Ca 0.00 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.04 1x5t s SER 91 Cb 0.00 0.87 0.00 0.00 0.10 0.00 0.00 66.02 66.99 1x5t s SER 91 CO 0.00 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1x5t n GLY 92 N 2.74 1.70 3.58 7.32 0.00 -1.26 -5.18 105.19 114.09 1x5t n GLY 92 Ca -0.15 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1x5t n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5t s PRO 93 N -0.52 -1.42 0.33 1.61 0.04 -1.26 -5.10 135.00 128.69 1x5t s PRO 93 Ca 0.00 -0.13 0.03 0.00 0.04 0.00 0.00 61.00 60.94 1x5t s PRO 93 Cb 0.00 -1.58 -0.04 0.00 0.04 0.00 0.00 34.50 32.92 1x5t s PRO 93 CO 0.00 -3.83 0.13 -1.12 0.04 0.00 0.00 177.00 172.22 1x5t s SER 94 N -3.94 2.01 -0.16 6.66 0.01 -1.26 -5.09 113.70 111.92 1x5t s SER 94 Ca 0.72 -1.55 -0.09 0.00 1.31 0.00 0.00 55.95 56.34 1x5t s SER 94 Cb -0.09 0.32 -0.07 0.00 0.21 0.00 0.00 66.02 66.39 1x5t s SER 94 CO 0.56 -0.84 -0.22 -1.54 0.41 0.00 0.00 173.24 171.61 1x5t n SER 95 N -0.96 1.20 0.00 2.44 3.41 -1.26 -5.38 113.62 113.08 1x5t n SER 95 Ca -0.02 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1x5t n SER 95 Cb 0.65 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1x5t n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49