#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5t n SER 2 N 0.00 6.40 -4.58 1.61 3.41 -1.26 -4.97 113.62 114.23 1x5t n SER 2 Ca 0.00 -3.03 -0.53 0.00 -0.26 0.00 0.00 58.87 55.04 1x5t n SER 2 Cb 0.00 -1.08 -0.06 0.00 -0.26 0.00 0.00 64.21 62.81 1x5t n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1x5t n SER 3 N 0.48 1.38 -1.59 4.04 3.41 -1.26 -4.24 113.62 115.84 1x5t n SER 3 Ca 0.30 1.13 -0.01 0.00 -0.26 0.00 0.00 58.87 60.03 1x5t n SER 3 Cb 0.58 -1.15 -0.01 0.00 -0.26 0.00 0.00 64.21 63.37 1x5t n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5t n GLY 4 N 2.37 -3.37 2.19 5.00 0.00 -1.26 -4.70 105.19 105.41 1x5t n GLY 4 Ca 0.19 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 1x5t n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5t n SER 5 N 0.31 5.90 -4.44 1.61 7.64 -1.26 -4.88 113.62 118.51 1x5t n SER 5 Ca -0.06 -2.85 -0.33 0.00 1.01 0.00 0.00 58.87 56.64 1x5t n SER 5 Cb 0.09 -1.29 -0.13 0.00 -1.01 0.00 0.00 64.21 61.87 1x5t n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x5t s SER 6 N 1.12 4.39 0.37 6.43 1.04 -1.26 -5.12 113.70 120.67 1x5t s SER 6 Ca 0.57 -0.23 0.05 0.00 0.48 0.00 0.00 55.95 56.83 1x5t s SER 6 Cb 0.33 -1.67 -0.07 0.00 0.10 0.00 0.00 66.02 64.71 1x5t s SER 6 CO -0.10 0.18 0.03 -0.83 0.98 0.00 0.00 173.24 173.50 1x5t s GLY 7 N 0.30 2.31 0.03 7.32 0.00 -1.26 -3.68 107.32 112.35 1x5t s GLY 7 Ca -0.07 -2.15 0.03 0.00 0.00 0.00 0.00 44.72 42.53 1x5t s GLY 7 CO 0.04 -1.96 -0.09 -0.26 0.00 0.00 0.00 173.10 170.83 1x5t s ILE 8 N -3.00 0.68 -0.12 0.90 -4.36 0.79 -3.59 121.20 112.50 1x5t s ILE 8 Ca 0.35 -0.87 -0.03 0.00 -0.26 0.00 0.00 60.65 59.84 1x5t s ILE 8 Cb 0.09 -0.67 -0.03 0.00 1.25 0.00 0.00 42.46 43.10 1x5t s ILE 8 CO 0.17 -0.16 0.01 0.12 0.24 0.00 0.00 174.94 175.32 1x5t s PHE 9 N -0.94 3.16 -0.06 1.37 5.36 0.69 -2.19 117.98 125.37 1x5t s PHE 9 Ca -0.04 0.09 0.02 0.00 -0.96 0.00 0.00 56.93 56.05 1x5t s PHE 9 Cb -0.08 -1.87 0.01 0.00 -0.34 0.00 0.00 43.02 40.74 1x5t s PHE 9 CO 0.01 0.33 -0.12 0.42 -1.46 0.00 0.00 175.22 174.40 1x5t s ILE 10 N -0.44 1.11 0.17 3.12 1.01 -0.76 -2.12 121.20 123.28 1x5t s ILE 10 Ca 0.08 -0.47 0.07 0.00 0.00 0.00 0.00 60.65 60.34 1x5t s ILE 10 Cb -0.12 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1x5t s ILE 10 CO 0.02 0.35 -0.15 -0.83 0.00 0.00 0.00 174.94 174.33 1x5t s GLY 11 N 0.65 1.30 -0.47 6.18 0.00 -1.17 0.06 107.32 113.87 1x5t s GLY 11 Ca -0.14 -1.51 -0.02 0.00 0.00 0.00 0.00 44.72 43.06 1x5t s GLY 11 CO 0.04 -1.58 0.40 -2.01 0.00 0.00 0.00 173.10 169.94 1x5t n ASN 12 N 0.05 -2.75 -4.70 1.64 5.15 0.24 -2.37 115.26 112.53 1x5t n ASN 12 Ca -0.11 -0.22 -0.37 0.00 -0.60 0.00 0.00 54.58 53.28 1x5t n ASN 12 Cb 0.59 -2.19 -0.07 0.00 -0.53 0.00 0.00 39.78 37.57 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 -3.48 4.20 0.36 1.20 1.43 -0.17 -3.93 118.68 118.30 1x5t s LEU 13 Ca 0.10 0.54 -0.26 0.00 -1.03 0.00 0.00 54.13 53.48 1x5t s LEU 13 Cb -0.04 -2.48 -0.12 0.00 0.03 0.00 0.00 46.19 43.58 1x5t s LEU 13 CO 0.27 -0.00 1.11 -0.67 0.23 0.00 0.00 176.35 177.28 1x5t n ASP 14 N 4.06 1.80 0.24 2.29 2.03 -1.26 -4.76 116.55 120.96 1x5t n ASP 14 Ca -0.09 1.13 0.12 0.00 0.52 0.00 0.00 54.79 56.47 1x5t n ASP 14 Cb 0.51 -1.39 0.57 0.00 -0.72 0.00 0.00 41.12 40.10 1x5t n ASP 14 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1x5t h PRO 15 N 1.99 0.00 -0.38 -0.67 0.13 -1.93 -3.00 132.00 128.14 1x5t h PRO 15 Ca -0.44 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.56 1x5t h PRO 15 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 1x5t h PRO 15 CO 0.60 0.15 -0.29 0.93 -0.23 0.00 0.00 178.00 179.16 1x5t h GLU 16 N 0.00 0.82 -6.81 0.86 3.07 -1.96 -3.45 114.58 107.10 1x5t h GLU 16 Ca -0.00 -0.37 -0.51 0.00 -0.50 0.00 0.00 59.36 57.98 1x5t h GLU 16 Cb 0.61 -0.02 0.22 0.00 -0.84 0.00 0.00 28.75 28.72 1x5t h GLU 16 CO 0.02 1.00 -0.62 -0.89 -1.40 0.00 0.00 179.01 177.12 1x5t n ILE 17 N -4.09 0.00 -4.23 3.13 5.41 -1.13 -5.04 119.36 113.41 1x5t n ILE 17 Ca -0.01 -0.22 -0.15 0.00 1.00 0.00 0.00 62.75 63.38 1x5t n ILE 17 Cb 0.48 -0.66 -0.09 0.00 -0.71 0.00 0.00 39.64 38.65 1x5t n ILE 17 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1x5t s ASP 18 N -2.04 0.69 0.09 4.38 1.01 -1.26 -5.04 116.67 114.50 1x5t s ASP 18 Ca 0.58 -1.52 -0.33 0.00 0.71 0.00 0.00 52.55 51.99 1x5t s ASP 18 Cb -0.19 0.45 -0.15 0.00 1.01 0.00 0.00 42.92 44.04 1x5t s ASP 18 CO 0.66 -0.93 1.59 -0.33 0.21 0.00 0.00 175.17 176.37 1x5t h GLU 19 N 2.44 -0.84 -0.55 8.23 5.08 -1.96 -1.90 114.58 125.09 1x5t h GLU 19 Ca -0.32 0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.16 1x5t h GLU 19 Cb 1.24 0.19 -0.09 0.00 0.50 0.00 0.00 28.75 30.59 1x5t h GLU 19 CO 0.47 -0.56 -0.56 -0.22 -1.00 0.00 0.00 179.01 177.14 1x5t h LYS 20 N -0.87 -0.29 -0.04 2.33 1.63 -1.98 0.71 116.57 118.05 1x5t h LYS 20 Ca -0.04 0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1x5t h LYS 20 Cb 0.77 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.45 1x5t h LYS 20 CO -0.07 -0.19 -0.13 1.25 -3.45 0.00 0.00 179.45 176.86 1x5t h LEU 21 N -0.30 -0.41 -0.90 5.20 5.85 -1.95 -1.71 115.31 121.08 1x5t h LEU 21 Ca 0.10 0.05 0.18 0.00 0.84 0.00 0.00 57.88 59.05 1x5t h LEU 21 Cb 0.56 0.16 -0.17 0.00 0.37 0.00 0.00 40.66 41.58 1x5t h LEU 21 CO -0.68 -0.11 -0.22 -0.07 -0.34 0.00 0.00 178.44 177.02 1x5t h LEU 22 N -0.13 -0.83 -1.51 2.25 3.38 -0.96 1.22 115.31 118.73 1x5t h LEU 22 Ca 0.01 0.27 0.21 0.00 0.09 0.00 0.00 57.88 58.46 1x5t h LEU 22 Cb 0.16 0.56 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 1x5t h LEU 22 CO -0.11 -0.30 0.60 0.22 0.09 0.00 0.00 178.44 178.94 1x5t h TYR 23 N 0.00 0.54 0.00 1.13 5.03 -0.08 0.71 116.97 124.29 1x5t h TYR 23 Ca 0.43 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.71 1x5t h TYR 23 Cb 0.66 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 1x5t h TYR 23 CO -0.70 0.14 -0.29 0.22 -1.32 0.00 0.00 178.16 176.21 1x5t h ASP 24 N 0.40 0.00 -0.82 -2.11 3.58 0.22 0.15 116.42 117.84 1x5t h ASP 24 Ca 0.48 -0.66 0.24 0.00 0.42 0.00 0.00 57.03 57.50 1x5t h ASP 24 Cb 1.20 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.22 1x5t h ASP 24 CO -0.18 1.00 0.60 0.74 -2.88 0.00 0.00 179.24 178.52 1x5t h THR 25 N -1.00 0.57 0.03 2.25 2.02 -0.02 -1.96 112.91 114.80 1x5t h THR 25 Ca -0.07 0.00 -0.39 0.00 0.77 0.00 0.00 66.41 66.72 1x5t h THR 25 Cb 0.86 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 67.79 1x5t h THR 25 CO -0.04 0.00 -2.32 0.49 0.37 0.00 0.00 175.52 174.02 1x5t n PHE 26 N -4.26 0.36 0.19 3.16 3.01 0.19 -4.24 117.46 115.87 1x5t n PHE 26 Ca 0.17 0.08 0.12 0.00 1.01 0.00 0.00 57.45 58.83 1x5t n PHE 26 Cb 0.90 -1.05 0.39 0.00 -0.01 0.00 0.00 39.48 39.71 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 -0.12 0.00 0.26 4.37 0.87 0.08 0.72 113.55 119.74 1x5t h SER 27 Ca -0.54 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.01 1x5t h SER 27 Cb 1.88 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.83 1x5t h SER 27 CO -0.08 0.00 -0.22 0.00 -0.53 0.00 0.00 176.83 176.00 1x5t h ALA 28 N 0.64 -0.48 -0.89 6.23 0.00 -1.67 -2.74 119.26 120.34 1x5t h ALA 28 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1x5t h ALA 28 Cb 1.72 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.77 1x5t h ALA 28 CO -0.00 -0.79 0.56 0.74 0.00 0.00 0.00 179.25 179.76 1x5t h PHE 29 N -0.50 1.16 -2.05 0.00 0.04 -1.13 -3.47 116.94 111.00 1x5t h PHE 29 Ca -0.01 0.01 0.23 0.00 2.80 0.00 0.00 57.97 61.00 1x5t h PHE 29 Cb 0.45 -0.38 -0.09 0.00 2.20 0.00 0.00 35.95 38.12 1x5t h PHE 29 CO -0.14 0.75 0.62 0.20 -0.60 0.00 0.00 178.31 179.14 1x5t s GLY 30 N -3.08 -0.27 0.12 -1.45 0.00 -1.03 -4.59 107.32 97.02 1x5t s GLY 30 Ca -0.13 0.28 -0.30 0.00 0.00 0.00 0.00 44.72 44.57 1x5t s GLY 30 CO 0.81 0.32 1.14 0.14 0.00 0.00 0.00 173.10 175.51 1x5t s VAL 31 N -2.89 3.97 0.24 1.40 1.01 -1.26 -3.96 120.40 118.91 1x5t s VAL 31 Ca 0.14 1.55 -0.30 0.00 0.00 0.00 0.00 61.98 63.37 1x5t s VAL 31 Cb 0.01 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 1x5t s VAL 31 CO 0.00 0.20 0.96 -0.63 0.00 0.00 0.00 175.10 175.63 1x5t s ILE 32 N 0.38 4.02 0.03 2.22 1.01 -1.26 -0.83 121.20 126.77 1x5t s ILE 32 Ca 0.54 2.01 -0.24 0.00 0.00 0.00 0.00 60.65 62.95 1x5t s ILE 32 Cb -0.29 -4.28 -0.18 0.00 0.01 0.00 0.00 42.46 37.72 1x5t s ILE 32 CO 0.32 0.47 1.46 -0.07 0.00 0.00 0.00 174.94 177.12 1x5t h LEU 33 N 4.21 0.03 -7.43 2.97 3.38 -1.66 -3.45 115.31 113.37 1x5t h LEU 33 Ca -0.45 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.17 1x5t h LEU 33 Cb 1.20 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.81 1x5t h LEU 33 CO 0.68 0.32 -0.10 -1.10 0.09 0.00 0.00 178.44 178.33 1x5t s GLN 34 N -5.02 1.05 0.09 1.13 -0.21 -1.26 -4.97 119.66 110.47 1x5t s GLN 34 Ca -0.15 -0.73 -0.34 0.00 0.02 0.00 0.00 55.36 54.16 1x5t s GLN 34 Cb 0.04 0.46 -0.18 0.00 1.00 0.00 0.00 33.01 34.32 1x5t s GLN 34 CO 0.67 -0.41 0.80 2.41 -2.12 0.00 0.00 175.29 176.65 1x5t n THR 35 N -0.21 0.91 -1.76 -0.19 -1.04 -1.26 -4.76 114.28 105.97 1x5t n THR 35 Ca -0.16 -0.23 -0.33 0.00 -2.04 0.00 0.00 64.05 61.29 1x5t n THR 35 Cb 0.64 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 69.19 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 -0.45 2.80 -0.09 -2.82 0.04 -1.26 -4.98 135.00 128.24 1x5t s PRO 36 Ca 0.77 1.39 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1x5t s PRO 36 Cb -1.09 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 31.47 1x5t s PRO 36 CO 0.56 -1.25 -0.07 0.15 0.04 0.00 0.00 177.00 176.42 1x5t s LYS 37 N -4.10 2.98 -0.10 4.56 1.02 -0.54 -5.00 119.74 118.56 1x5t s LYS 37 Ca 0.67 -0.56 0.02 0.00 0.02 0.00 0.00 55.97 56.12 1x5t s LYS 37 Cb -0.21 -2.65 0.01 0.00 -0.52 0.00 0.00 37.83 34.47 1x5t s LYS 37 CO 0.42 0.54 -0.17 0.42 -0.92 0.00 0.00 175.35 175.64 1x5t s ILE 38 N -0.47 1.57 0.14 2.17 1.01 -1.26 -0.75 121.20 123.61 1x5t s ILE 38 Ca 0.07 -0.71 -0.30 0.00 0.00 0.00 0.00 60.65 59.71 1x5t s ILE 38 Cb -0.12 -1.42 -0.07 0.00 0.01 0.00 0.00 42.46 40.86 1x5t s ILE 38 CO 0.02 0.45 1.23 -0.04 0.00 0.00 0.00 174.94 176.60 1x5t s MET 39 N 0.80 4.45 0.36 2.79 -1.94 -1.13 -4.97 119.30 119.65 1x5t s MET 39 Ca -0.10 1.88 0.09 0.00 -1.71 0.00 0.00 55.69 55.84 1x5t s MET 39 Cb -0.16 -3.27 -0.07 0.00 2.01 0.00 0.00 34.83 33.35 1x5t s MET 39 CO 0.01 -0.19 -0.07 1.03 -0.01 0.00 0.00 175.02 175.79 1x5t s ARG 40 N 0.33 1.86 -0.23 2.03 0.52 -1.26 0.05 118.95 122.25 1x5t s ARG 40 Ca 0.56 -1.97 -0.11 0.00 -0.52 0.00 0.00 55.73 53.70 1x5t s ARG 40 Cb -0.32 -1.70 -0.05 0.00 0.52 0.00 0.00 34.95 33.39 1x5t s ARG 40 CO 0.34 0.10 0.16 0.34 0.02 0.00 0.00 175.30 176.26 1x5t s ASP 41 N -3.64 6.15 0.45 0.23 2.15 0.09 -4.48 116.67 117.62 1x5t s ASP 41 Ca 0.33 0.15 0.24 0.00 0.43 0.00 0.00 52.55 53.70 1x5t s ASP 41 Cb 0.04 -2.11 1.01 0.00 -0.30 0.00 0.00 42.92 41.56 1x5t s ASP 41 CO 0.17 0.08 1.87 1.55 -0.17 0.00 0.00 175.17 178.67 1x5t h PRO 42 N 7.36 0.00 0.20 4.34 0.13 -1.89 0.96 132.00 143.10 1x5t h PRO 42 Ca -0.38 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 1x5t h PRO 42 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1x5t h PRO 42 CO 0.68 0.23 -0.10 -0.44 -0.23 0.00 0.00 178.00 178.14 1x5t h ASP 43 N 0.00 -0.23 0.00 1.44 3.32 -1.96 -3.41 116.42 115.58 1x5t h ASP 43 Ca -0.00 0.01 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 1x5t h ASP 43 Cb 0.67 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 1x5t h ASP 43 CO 0.03 -0.16 -1.93 1.07 -1.72 0.00 0.00 179.24 176.53 1x5t n THR 44 N -2.73 0.93 0.00 0.35 5.66 -1.25 -5.05 114.28 112.19 1x5t n THR 44 Ca -0.03 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.67 1x5t n THR 44 Cb 0.10 -1.36 0.00 0.00 -1.55 0.00 0.00 70.33 67.52 1x5t n THR 44 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x5t n GLY 45 N 2.37 2.03 3.37 1.09 0.00 0.33 -5.02 105.19 109.35 1x5t n GLY 45 Ca -0.31 -0.19 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 1x5t n GLY 45 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x5t n ASN 46 N 0.00 -1.90 -4.71 1.61 2.85 -1.26 -3.17 115.26 108.68 1x5t n ASN 46 Ca 0.00 0.93 -0.43 0.00 -0.11 0.00 0.00 54.58 54.98 1x5t n ASN 46 Cb 0.00 -0.96 -0.02 0.00 1.24 0.00 0.00 39.78 40.04 1x5t n ASN 46 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1x5t n SER 47 N 2.01 3.33 0.12 1.20 2.88 -1.26 -0.73 113.62 121.18 1x5t n SER 47 Ca 0.13 1.16 -0.16 0.00 -1.33 0.00 0.00 58.87 58.66 1x5t n SER 47 Cb 0.35 -1.52 -0.10 0.00 -0.75 0.00 0.00 64.21 62.19 1x5t n SER 47 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1x5t h LYS 48 N 4.21 -0.74 0.00 -1.46 1.79 -0.61 -3.44 116.57 116.32 1x5t h LYS 48 Ca -0.46 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 1x5t h LYS 48 Cb 1.25 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 32.07 1x5t h LYS 48 CO 0.75 -0.49 0.00 0.41 -1.08 0.00 0.00 179.45 179.04 1x5t n GLY 49 N -1.49 0.34 3.22 3.86 0.00 -1.26 -5.02 105.19 104.83 1x5t n GLY 49 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 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 1.49 0.36 1.61 1.13 -1.26 -0.59 117.35 120.09 1x5t s TYR 50 Ca 0.00 -0.42 0.03 0.00 -1.41 0.00 0.00 57.07 55.28 1x5t s TYR 50 Cb 0.00 -0.84 -0.04 0.00 -1.10 0.00 0.00 41.96 39.98 1x5t s TYR 50 CO 0.00 0.11 0.11 0.00 -2.51 0.00 0.00 175.55 173.26 1x5t s ALA 51 N -1.10 2.55 -0.01 9.51 0.00 0.11 -2.84 121.76 129.98 1x5t s ALA 51 Ca 0.03 -1.56 0.02 0.00 0.00 0.00 0.00 51.96 50.44 1x5t s ALA 51 Cb -0.09 0.81 -0.00 0.00 0.00 0.00 0.00 23.12 23.84 1x5t s ALA 51 CO 0.03 -0.37 -0.07 -0.06 0.00 0.00 0.00 175.76 175.29 1x5t s PHE 52 N -3.33 0.63 -0.05 0.00 0.40 0.07 -1.83 117.98 113.87 1x5t s PHE 52 Ca 0.30 -0.12 -0.10 0.00 -0.60 0.00 0.00 56.93 56.40 1x5t s PHE 52 Cb 0.05 -0.42 0.02 0.00 0.51 0.00 0.00 43.02 43.18 1x5t s PHE 52 CO 0.15 -0.02 0.24 0.42 0.70 0.00 0.00 175.22 176.70 1x5t s ILE 53 N -0.07 0.04 -0.08 0.64 1.01 -0.93 -1.47 121.20 120.33 1x5t s ILE 53 Ca 0.01 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.38 1x5t s ILE 53 Cb -0.04 -0.45 0.01 0.00 0.01 0.00 0.00 42.46 41.99 1x5t s ILE 53 CO -0.00 -0.17 -0.19 0.20 0.00 0.00 0.00 174.94 174.77 1x5t s ASN 54 N -0.67 2.51 0.60 3.58 -0.87 -1.26 -0.15 114.94 118.67 1x5t s ASN 54 Ca -0.08 -0.44 -0.02 0.00 -1.57 0.00 0.00 52.86 50.75 1x5t s ASN 54 Cb -0.04 -1.13 0.04 0.00 -0.02 0.00 0.00 41.25 40.10 1x5t s ASN 54 CO 0.02 0.11 0.85 -0.36 -2.57 0.00 0.00 177.10 175.15 1x5t s PHE 55 N 0.46 2.90 -0.12 2.20 0.40 -1.24 -2.18 117.98 120.40 1x5t s PHE 55 Ca -0.16 0.16 0.16 0.00 -0.60 0.00 0.00 56.93 56.49 1x5t s PHE 55 Cb -0.17 -2.88 -0.22 0.00 0.51 0.00 0.00 43.02 40.26 1x5t s PHE 55 CO 0.07 -1.03 0.50 0.00 0.70 0.00 0.00 175.22 175.45 1x5t n ALA 56 N -2.53 1.72 -3.17 5.36 0.00 -0.01 -4.46 120.51 117.43 1x5t n ALA 56 Ca 0.08 -0.87 -0.32 0.00 0.00 0.00 0.00 53.44 52.32 1x5t n ALA 56 Cb 0.60 -0.65 -0.16 0.00 0.00 0.00 0.00 19.45 19.24 1x5t n ALA 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x5t s SER 57 N -5.68 3.49 0.26 0.00 0.15 -1.26 -4.57 113.70 106.09 1x5t s SER 57 Ca -0.06 -0.46 -0.02 0.00 0.70 0.00 0.00 55.95 56.11 1x5t s SER 57 Cb 0.08 -1.50 0.52 0.00 -1.71 0.00 0.00 66.02 63.42 1x5t s SER 57 CO 0.83 0.16 1.75 -0.26 1.20 0.00 0.00 173.24 176.92 1x5t h PHE 58 N 6.73 0.69 -0.85 3.44 -1.00 -1.95 -0.10 116.94 123.90 1x5t h PHE 58 Ca -0.22 0.04 0.10 0.00 2.81 0.00 0.00 57.97 60.69 1x5t h PHE 58 Cb 1.23 -0.18 -0.08 0.00 3.61 0.00 0.00 35.95 40.53 1x5t h PHE 58 CO 0.48 0.13 0.49 -0.44 -1.61 0.00 0.00 178.31 177.36 1x5t h ASP 59 N 0.56 0.69 -0.28 2.17 5.19 -1.98 -1.97 116.42 120.81 1x5t h ASP 59 Ca 0.45 0.05 0.05 0.00 -0.62 0.00 0.00 57.03 56.97 1x5t h ASP 59 Cb 0.67 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 40.05 1x5t h ASP 59 CO -0.38 0.39 -0.03 0.00 -3.12 0.00 0.00 179.24 176.09 1x5t h ALA 60 N 1.47 0.22 -0.59 3.45 0.00 -1.26 -0.64 119.26 121.90 1x5t h ALA 60 Ca 0.41 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.46 1x5t h ALA 60 Cb 0.40 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1x5t h ALA 60 CO -0.26 -0.44 0.34 1.03 0.00 0.00 0.00 179.25 179.92 1x5t h SER 61 N 0.05 0.52 -0.95 0.00 0.87 -1.24 -2.02 113.55 110.78 1x5t h SER 61 Ca 0.13 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1x5t h SER 61 Cb 0.19 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 1x5t h SER 61 CO -0.25 0.36 0.58 -0.78 -0.53 0.00 0.00 176.83 176.20 1x5t h ASP 62 N 0.65 1.13 -0.29 6.23 1.82 -0.88 -2.17 116.42 122.91 1x5t h ASP 62 Ca 0.25 -0.06 0.06 0.00 -0.39 0.00 0.00 57.03 56.89 1x5t h ASP 62 Cb 0.10 -0.29 -0.06 0.00 0.68 0.00 0.00 39.33 39.77 1x5t h ASP 62 CO -0.14 0.86 -0.08 0.00 -1.61 0.00 0.00 179.24 178.27 1x5t h ALA 63 N 1.32 0.17 0.50 -0.78 0.00 -0.39 -1.73 119.26 118.36 1x5t h ALA 63 Ca 0.34 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 1x5t h ALA 63 Cb -0.07 0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1x5t h ALA 63 CO -0.07 -0.48 -0.24 0.00 0.00 0.00 0.00 179.25 178.47 1x5t h ALA 64 N 1.26 -1.01 -0.83 0.00 0.00 -1.25 0.16 119.26 117.59 1x5t h ALA 64 Ca 0.14 -0.15 0.24 0.00 0.00 0.00 0.00 54.91 55.14 1x5t h ALA 64 Cb 0.23 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1x5t h ALA 64 CO -0.31 -0.96 1.07 0.82 0.00 0.00 0.00 179.25 179.87 1x5t h ILE 65 N -0.78 0.05 0.08 0.00 2.04 -1.35 1.77 117.51 119.32 1x5t h ILE 65 Ca -0.07 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.47 1x5t h ILE 65 Cb 0.52 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 1x5t h ILE 65 CO 0.11 0.00 -1.78 1.21 0.00 0.00 0.00 178.15 177.69 1x5t n GLU 66 N -3.23 0.69 -0.08 2.37 4.07 -0.66 -4.00 120.64 119.81 1x5t n GLU 66 Ca 0.18 0.36 -0.07 0.00 -0.06 0.00 0.00 57.16 57.57 1x5t n GLU 66 Cb 1.33 -1.71 -0.02 0.00 -0.06 0.00 0.00 31.44 30.97 1x5t n GLU 66 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1x5t n ALA 67 N -3.18 0.72 0.24 4.31 0.00 0.25 -4.40 120.51 118.45 1x5t n ALA 67 Ca -0.33 -0.70 0.17 0.00 0.00 0.00 0.00 53.44 52.58 1x5t n ALA 67 Cb 0.92 0.02 0.75 0.00 0.00 0.00 0.00 19.45 21.15 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 -0.88 0.00 -5.39 0.00 2.86 0.21 -3.33 114.93 108.40 1x5t h MET 68 Ca 0.00 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 1x5t h MET 68 Cb 0.82 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 1x5t h MET 68 CO 0.00 0.00 0.33 1.21 1.06 0.00 0.00 176.91 179.51 1x5t s ASN 69 N -4.65 4.21 0.00 1.22 2.47 -0.38 -1.12 114.94 116.69 1x5t s ASN 69 Ca -0.03 -0.60 0.00 0.00 0.42 0.00 0.00 52.86 52.65 1x5t s ASN 69 Cb 0.11 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 1x5t s ASN 69 CO 0.36 -3.74 0.00 0.61 -3.72 0.00 0.00 177.10 170.61 1x5t n GLY 70 N 6.53 0.76 3.60 1.21 0.00 -0.91 -4.88 105.19 111.50 1x5t n GLY 70 Ca 0.44 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.99 1.39 -2.68 1.61 1.13 -0.28 -4.65 117.38 112.91 1x5t n GLN 71 Ca 0.00 0.49 -0.42 0.00 -1.94 0.00 0.00 57.00 55.13 1x5t n GLN 71 Cb 0.00 -1.93 -0.03 0.00 0.11 0.00 0.00 30.24 28.38 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 -0.69 2.49 0.67 1.08 5.04 -1.26 -2.53 117.35 122.15 1x5t s TYR 72 Ca 0.64 -0.40 -0.01 0.00 -2.44 0.00 0.00 57.07 54.87 1x5t s TYR 72 Cb -0.74 -4.50 0.09 0.00 0.35 0.00 0.00 41.96 37.16 1x5t s TYR 72 CO 0.57 -1.88 0.93 -1.17 -1.34 0.00 0.00 175.55 172.66 1x5t s LEU 73 N 4.89 3.05 -0.32 6.97 2.96 -0.80 -4.82 118.68 130.61 1x5t s LEU 73 Ca 0.32 -0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 54.01 1x5t s LEU 73 Cb -0.10 -2.34 -0.11 0.00 0.50 0.00 0.00 46.19 44.14 1x5t s LEU 73 CO 0.09 -1.63 0.70 0.00 -1.32 0.00 0.00 176.35 174.18 1x5t n ASN 75 N 1.79 -0.12 -3.15 0.00 2.85 -1.26 -4.58 115.26 110.79 1x5t n ASN 75 Ca 0.22 -1.00 0.05 0.00 -0.11 0.00 0.00 54.58 53.74 1x5t n ASN 75 Cb 0.05 -1.23 -0.01 0.00 1.24 0.00 0.00 39.78 39.82 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 -6.53 0.25 -0.74 1.20 0.52 0.23 -4.95 118.95 108.93 1x5t s ARG 76 Ca 0.09 0.44 -0.26 0.00 -0.52 0.00 0.00 55.73 55.48 1x5t s ARG 76 Cb -0.05 0.24 -0.03 0.00 0.52 0.00 0.00 34.95 35.63 1x5t s ARG 76 CO 0.77 -0.29 1.90 -1.25 0.02 0.00 0.00 175.30 176.46 1x5t s PRO 77 N 2.94 2.59 0.73 3.54 0.04 -1.26 -1.91 135.00 141.67 1x5t s PRO 77 Ca 0.04 0.22 -0.11 0.00 0.04 0.00 0.00 61.00 61.18 1x5t s PRO 77 Cb -0.11 -4.68 0.03 0.00 0.04 0.00 0.00 34.50 29.78 1x5t s PRO 77 CO -0.13 -3.02 1.09 0.96 0.04 0.00 0.00 177.00 175.94 1x5t s ILE 78 N 9.52 3.55 0.01 0.56 -4.36 -1.05 -4.78 121.20 124.64 1x5t s ILE 78 Ca 0.68 0.50 0.04 0.00 -0.26 0.00 0.00 60.65 61.61 1x5t s ILE 78 Cb -0.10 -3.38 -0.01 0.00 1.25 0.00 0.00 42.46 40.22 1x5t s ILE 78 CO 0.11 -0.66 -0.12 0.28 0.24 0.00 0.00 174.94 174.80 1x5t s THR 79 N -3.23 0.93 -0.17 8.37 -1.32 -1.00 -2.13 115.64 117.08 1x5t s THR 79 Ca 0.59 -0.70 0.01 0.00 -1.21 0.00 0.00 61.69 60.38 1x5t s THR 79 Cb -0.13 -0.81 0.01 0.00 -1.51 0.00 0.00 72.50 70.06 1x5t s THR 79 CO 0.53 0.12 -0.18 -0.69 -2.21 0.00 0.00 174.62 172.19 1x5t s VAL 80 N -0.54 2.30 -0.07 5.08 1.01 -1.26 -3.02 120.40 123.90 1x5t s VAL 80 Ca 0.02 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 1x5t s VAL 80 Cb -0.06 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1x5t s VAL 80 CO 0.00 0.52 0.29 -0.94 0.00 0.00 0.00 175.10 174.98 1x5t s SER 81 N 1.17 -0.24 -0.30 3.32 1.04 -0.90 -4.52 113.70 113.26 1x5t s SER 81 Ca 0.02 0.37 -0.29 0.00 0.48 0.00 0.00 55.95 56.53 1x5t s SER 81 Cb -0.14 0.48 -0.06 0.00 0.10 0.00 0.00 66.02 66.40 1x5t s SER 81 CO -0.08 -0.24 2.27 -1.22 0.98 0.00 0.00 173.24 174.94 1x5t n TYR 82 N 2.24 1.80 -1.66 5.02 4.01 -1.26 -0.22 117.16 127.08 1x5t n TYR 82 Ca -0.17 -0.03 -0.50 0.00 -0.16 0.00 0.00 57.90 57.04 1x5t n TYR 82 Cb 0.57 -2.68 -0.05 0.00 -0.31 0.00 0.00 39.34 36.86 1x5t n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1x5t n ALA 83 N 12.35 0.36 -2.14 -0.72 0.00 -1.24 -4.81 120.51 124.31 1x5t n ALA 83 Ca 0.33 0.40 -0.29 0.00 0.00 0.00 0.00 53.44 53.88 1x5t n ALA 83 Cb 0.44 -2.30 -0.05 0.00 0.00 0.00 0.00 19.45 17.54 1x5t n ALA 83 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1x5t s PHE 84 N 2.28 1.97 0.02 0.00 0.08 -1.26 -4.89 117.98 116.18 1x5t s PHE 84 Ca 0.88 0.32 -0.00 0.00 0.12 0.00 0.00 56.93 58.24 1x5t s PHE 84 Cb -0.83 -4.15 -0.04 0.00 -0.57 0.00 0.00 43.02 37.44 1x5t s PHE 84 CO 0.50 -1.65 0.13 0.21 -0.10 0.00 0.00 175.22 174.31 1x5t s LYS 85 N 6.52 3.21 -0.99 0.44 2.20 -1.26 -5.00 119.74 124.86 1x5t s LYS 85 Ca 0.66 -0.46 -0.26 0.00 -0.36 0.00 0.00 55.97 55.55 1x5t s LYS 85 Cb -0.04 -2.94 -0.17 0.00 -1.51 0.00 0.00 37.83 33.17 1x5t s LYS 85 CO 0.02 0.64 2.18 0.21 -0.36 0.00 0.00 175.35 178.03 1x5t s LYS 86 N -2.04 1.55 -0.58 4.03 2.20 -1.26 -4.71 119.74 118.93 1x5t s LYS 86 Ca 0.27 -0.21 0.01 0.00 -0.36 0.00 0.00 55.97 55.68 1x5t s LYS 86 Cb -0.12 -4.95 0.44 0.00 -1.51 0.00 0.00 37.83 31.68 1x5t s LYS 86 CO 0.19 -4.86 1.74 -3.47 -0.36 0.00 0.00 175.35 168.59 1x5t n ASP 87 N 18.40 6.72 -4.55 1.43 -0.08 -1.26 -4.98 116.55 132.22 1x5t n ASP 87 Ca 0.43 -3.78 -0.38 0.00 -1.51 0.00 0.00 54.79 49.56 1x5t n ASP 87 Cb 0.46 -0.78 -0.03 0.00 2.34 0.00 0.00 41.12 43.10 1x5t n ASP 87 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1x5t s SER 88 N -2.33 4.89 1.10 1.67 0.01 -1.26 -4.94 113.70 112.83 1x5t s SER 88 Ca 0.58 0.75 -0.18 0.00 1.31 0.00 0.00 55.95 58.41 1x5t s SER 88 Cb 0.47 -2.52 0.09 0.00 0.21 0.00 0.00 66.02 64.27 1x5t s SER 88 CO -0.07 -2.60 0.00 0.29 0.41 0.00 0.00 173.24 171.28 1x5t n LYS 89 N 9.07 -1.38 0.00 12.44 5.02 -1.26 -5.04 118.16 137.02 1x5t n LYS 89 Ca 0.28 -0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1x5t n LYS 89 Cb 0.53 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1x5t n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x5t n GLY 90 N 2.01 1.77 1.51 0.72 0.00 -1.26 -5.10 105.19 104.84 1x5t n GLY 90 Ca 0.01 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1x5t n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5t n SER 91 N 0.00 0.28 0.00 1.61 7.64 -1.26 -5.17 113.62 116.72 1x5t n SER 91 Ca 0.00 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1x5t n SER 91 Cb 0.00 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1x5t n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5t n GLY 92 N 2.40 2.57 3.55 0.23 0.00 -1.26 -4.93 105.19 107.76 1x5t n GLY 92 Ca 0.00 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 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 -5.04 2.59 -0.49 1.61 0.04 -1.26 -4.88 135.00 127.58 1x5t s PRO 93 Ca 0.00 0.17 -0.40 0.00 0.04 0.00 0.00 61.00 60.80 1x5t s PRO 93 Cb 0.00 -4.72 -0.18 0.00 0.04 0.00 0.00 34.50 29.64 1x5t s PRO 93 CO 0.00 -3.06 2.01 0.43 0.04 0.00 0.00 177.00 176.42 1x5t n SER 94 N 13.37 0.67 -4.07 6.66 7.64 -1.26 -4.81 113.62 131.83 1x5t n SER 94 Ca 0.30 0.61 -0.37 0.00 1.01 0.00 0.00 58.87 60.42 1x5t n SER 94 Cb 0.50 -0.84 0.06 0.00 -1.01 0.00 0.00 64.21 62.92 1x5t n SER 94 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x5t n SER 95 N 7.09 -3.89 0.00 6.43 2.88 -1.26 -5.33 113.62 119.54 1x5t n SER 95 Ca 0.52 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 1x5t n SER 95 Cb -0.03 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 1x5t n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42