#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y2y n HIS 2 N 0.00 -2.52 -1.11 3.17 -0.00 -1.26 -5.00 115.22 108.49 1y2y n HIS 2 Ca 0.00 1.26 0.07 0.00 -0.00 0.00 0.00 57.72 59.06 1y2y n HIS 2 Cb 0.00 -2.29 -0.04 0.00 -0.00 0.00 0.00 29.99 27.66 1y2y n HIS 2 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1y2y n LEU 3 N -3.16 -0.98 -3.68 2.41 0.00 -1.26 -5.01 117.00 105.31 1y2y n LEU 3 Ca 0.00 1.94 -0.01 0.00 0.00 0.00 0.00 56.01 57.95 1y2y n LEU 3 Cb 0.62 -2.17 -0.01 0.00 0.00 0.00 0.00 43.42 41.86 1y2y n LEU 3 CO 0.01 -1.16 0.92 0.00 0.00 0.00 0.00 177.39 177.16 1y2y s MET 4 N -4.45 0.74 0.12 1.96 0.23 0.15 -4.93 119.30 113.11 1y2y s MET 4 Ca 0.00 -0.41 0.06 0.00 -1.03 0.00 0.00 55.69 54.31 1y2y s MET 4 Cb 0.00 0.25 -0.04 0.00 -1.53 0.00 0.00 34.83 33.51 1y2y s MET 4 CO 0.00 -0.34 -0.14 1.52 -2.03 0.00 0.00 175.02 174.03 1y2y s TYR 5 N -2.77 1.36 0.05 3.16 1.13 -1.26 -1.53 117.35 117.51 1y2y s TYR 5 Ca 0.14 -0.55 0.06 0.00 -1.41 0.00 0.00 57.07 55.31 1y2y s TYR 5 Cb 0.02 -0.72 -0.03 0.00 -1.10 0.00 0.00 41.96 40.14 1y2y s TYR 5 CO -0.01 0.13 -0.18 0.95 -2.51 0.00 0.00 175.55 173.93 1y2y s THR 6 N -2.08 1.41 -0.54 -3.49 -4.23 -0.91 -4.68 115.64 101.12 1y2y s THR 6 Ca 0.08 -1.18 0.03 0.00 -1.18 0.00 0.00 61.69 59.43 1y2y s THR 6 Cb -0.05 -1.26 0.41 0.00 1.34 0.00 0.00 72.50 72.94 1y2y s THR 6 CO 0.03 0.05 1.47 0.18 -0.54 0.00 0.00 174.62 175.81 1y2y n LEU 7 N 1.70 5.83 0.00 4.79 4.32 -1.26 0.81 117.00 133.20 1y2y n LEU 7 Ca -0.18 -4.92 0.00 0.00 -0.02 0.00 0.00 56.01 50.89 1y2y n LEU 7 Cb 0.54 -0.65 0.00 0.00 -1.62 0.00 0.00 43.42 41.69 1y2y n LEU 7 CO 0.23 2.00 0.00 0.61 -1.22 0.00 0.00 177.39 179.01 1y2y n GLY 8 N -0.59 -1.92 0.37 -0.72 0.00 -1.26 -3.80 105.19 97.27 1y2y n GLY 8 Ca 0.47 -0.28 0.19 0.00 0.00 0.00 0.00 46.02 46.40 1y2y n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y2y h PRO 9 N 0.00 0.00 0.00 1.61 0.13 -1.91 -3.35 132.00 128.48 1y2y h PRO 9 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1y2y h PRO 9 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1y2y h PRO 9 CO 0.00 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.52 1y2y n ASP 10 N -4.39 0.00 0.00 1.44 9.92 -1.26 -5.11 116.55 117.15 1y2y n ASP 10 Ca 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 1y2y n ASP 10 Cb 0.56 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.04 1y2y n ASP 10 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1y2y n GLY 11 N 3.21 0.43 0.00 0.44 0.00 -1.25 -5.02 105.19 103.00 1y2y n GLY 11 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1y2y n GLY 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y2y n LYS 12 N 0.00 0.00 -2.66 1.61 4.76 -1.26 -4.97 118.16 115.65 1y2y n LYS 12 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 1y2y n LYS 12 Cb 0.00 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.22 1y2y n LYS 12 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1y2y n ARG 13 N -0.78 0.10 -1.16 1.97 1.74 -1.18 -4.77 116.66 112.58 1y2y n ARG 13 Ca 0.00 -0.62 -0.20 0.00 -0.77 0.00 0.00 57.85 56.26 1y2y n ARG 13 Cb 0.00 -0.04 -0.17 0.00 -1.02 0.00 0.00 32.46 31.24 1y2y n ARG 13 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1y2y n ILE 14 N -0.13 0.00 -1.67 0.55 5.41 0.24 -4.23 119.36 119.54 1y2y n ILE 14 Ca -0.21 -0.31 -0.43 0.00 1.00 0.00 0.00 62.75 62.81 1y2y n ILE 14 Cb 0.68 -0.08 -0.03 0.00 -0.71 0.00 0.00 39.64 39.50 1y2y n ILE 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y2y n TYR 15 N 5.06 2.52 -3.77 1.39 4.19 -1.26 -2.14 117.16 123.16 1y2y n TYR 15 Ca 0.52 -0.31 0.00 0.00 3.31 0.00 0.00 57.90 61.43 1y2y n TYR 15 Cb 0.09 -2.78 0.00 0.00 0.49 0.00 0.00 39.34 37.14 1y2y n TYR 15 CO 0.00 0.00 0.00 -0.08 0.91 0.00 0.00 176.86 177.69 1y2y s THR 16 N 4.11 0.00 0.08 2.97 -1.32 -0.58 -3.46 115.64 117.44 1y2y s THR 16 Ca 0.88 -0.35 -0.01 0.00 -1.21 0.00 0.00 61.69 60.99 1y2y s THR 16 Cb -0.46 -2.36 0.01 0.00 -1.51 0.00 0.00 72.50 68.18 1y2y s THR 16 CO 0.42 0.00 0.13 0.00 -2.21 0.00 0.00 174.62 172.96 1y2y n LEU 17 N -0.61 0.00 0.00 9.08 -0.00 -1.26 0.31 117.00 124.52 1y2y n LEU 17 Ca -0.05 -0.62 0.00 0.00 -0.00 0.00 0.00 56.01 55.35 1y2y n LEU 17 Cb 0.61 0.68 0.00 0.00 -0.00 0.00 0.00 43.42 44.71 1y2y n LEU 17 CO 0.15 -0.16 0.00 0.29 -0.00 0.00 0.00 177.39 177.66 1y2y n LYS 18 N -0.13 0.00 0.00 1.47 5.02 -1.26 -4.92 118.16 118.35 1y2y n LYS 18 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1y2y n LYS 18 Cb 0.13 -0.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.90 1y2y n LYS 18 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1y2y n LYS 19 N -2.00 0.00 0.06 1.97 2.85 -1.26 -3.93 118.16 115.86 1y2y n LYS 19 Ca 0.00 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 1y2y n LYS 19 Cb 0.00 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.23 1y2y n LYS 19 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1y2y h VAL 20 N 0.00 1.48 -3.06 0.58 2.07 -2.06 -3.43 116.25 111.82 1y2y h VAL 20 Ca 0.00 -2.54 -0.56 0.00 0.82 0.00 0.00 66.70 64.43 1y2y h VAL 20 Cb 0.00 3.15 -0.06 0.00 -1.52 0.00 0.00 31.29 32.86 1y2y h VAL 20 CO 0.00 0.73 1.09 -0.89 0.02 0.00 0.00 177.57 178.52 1y2y s THR 21 N -2.50 3.84 -0.42 2.57 2.01 -1.25 -4.87 115.64 115.02 1y2y s THR 21 Ca -0.13 0.80 0.05 0.00 0.31 0.00 0.00 61.69 62.72 1y2y s THR 21 Cb 0.01 -4.30 0.62 0.00 0.01 0.00 0.00 72.50 68.85 1y2y s THR 21 CO 0.85 -0.93 1.81 -0.62 -0.69 0.00 0.00 174.62 175.03 1y2y n GLU 22 N 8.35 2.16 -1.45 4.92 1.02 -1.26 -4.83 120.64 129.55 1y2y n GLU 22 Ca 0.15 -3.07 0.18 0.00 -0.02 0.00 0.00 57.16 54.40 1y2y n GLU 22 Cb 0.49 -2.09 -0.08 0.00 -0.02 0.00 0.00 31.44 29.73 1y2y n GLU 22 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1y2y n SER 23 N -1.14 -8.38 -4.10 1.62 7.64 -1.26 -4.95 113.62 103.05 1y2y n SER 23 Ca 0.53 1.22 -0.21 0.00 1.01 0.00 0.00 58.87 61.43 1y2y n SER 23 Cb 1.49 -4.83 -0.15 0.00 -1.01 0.00 0.00 64.21 59.71 1y2y n SER 23 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1y2y s GLY 24 N -7.27 0.66 0.00 0.23 0.00 -1.26 -4.87 107.32 94.81 1y2y s GLY 24 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.12 1y2y s GLY 24 CO 0.00 -0.52 0.00 -2.21 0.00 0.00 0.00 173.10 170.37 1y2y n GLU 25 N 2.62 0.00 -0.84 2.90 2.13 -1.26 -4.74 120.64 121.45 1y2y n GLU 25 Ca -0.15 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.39 1y2y n GLU 25 Cb 0.55 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.25 1y2y n GLU 25 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1y2y n ILE 26 N 0.00 0.90 -0.00 6.31 2.08 -1.26 -4.87 119.36 122.51 1y2y n ILE 26 Ca 0.00 -0.31 -0.12 0.00 0.56 0.00 0.00 62.75 62.88 1y2y n ILE 26 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 39.64 38.79 1y2y n ILE 26 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1y2y h THR 27 N 0.45 1.27 0.00 1.39 2.02 -1.90 -3.49 112.91 112.66 1y2y h THR 27 Ca -0.19 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.56 1y2y h THR 27 Cb 0.89 2.17 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 1y2y h THR 27 CO 0.33 0.34 0.00 2.29 0.37 0.00 0.00 175.52 178.84 1y2y n LYS 28 N -4.82 0.00 0.00 6.66 2.85 -1.26 -4.99 118.16 116.60 1y2y n LYS 28 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 1y2y n LYS 28 Cb 0.31 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.69 1y2y n LYS 28 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1y2y n SER 29 N 0.00 -2.08 -3.77 -5.58 3.41 -0.95 -4.66 113.62 100.00 1y2y n SER 29 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.33 1y2y n SER 29 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1y2y n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y2y n ALA 30 N 1.04 -2.29 -0.86 7.33 0.00 -1.26 -3.61 120.51 120.85 1y2y n ALA 30 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 53.44 52.92 1y2y n ALA 30 Cb 0.00 -2.95 0.02 0.00 0.00 0.00 0.00 19.45 16.52 1y2y n ALA 30 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y2y n HIS 31 N -4.26 -3.23 1.55 0.00 8.25 -1.25 -4.80 115.22 111.49 1y2y n HIS 31 Ca -0.20 0.14 0.14 0.00 -0.26 0.00 0.00 57.72 57.55 1y2y n HIS 31 Cb 0.64 -1.20 0.62 0.00 1.12 0.00 0.00 29.99 31.17 1y2y n HIS 31 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1y2y n PRO 32 N 1.58 1.18 0.00 -0.41 -0.04 -1.26 -4.90 135.00 131.15 1y2y n PRO 32 Ca 0.02 -0.52 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 1y2y n PRO 32 Cb 0.40 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1y2y n PRO 32 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y2y n ALA 33 N -0.46 0.00 -0.05 0.55 0.00 -1.26 -4.82 120.51 114.47 1y2y n ALA 33 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.58 1y2y n ALA 33 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.72 1y2y n ALA 33 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1y2y n ARG 34 N -2.00 0.33 0.00 0.00 3.00 -1.26 -5.05 116.66 111.68 1y2y n ARG 34 Ca 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 57.85 58.20 1y2y n ARG 34 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 32.46 31.13 1y2y n ARG 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1y2y n PHE 35 N -3.89 0.00 0.00 -0.14 7.35 -1.26 -5.11 117.46 114.41 1y2y n PHE 35 Ca -0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 1y2y n PHE 35 Cb 0.24 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.07 1y2y n PHE 35 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1y2y n SER 36 N 0.00 0.00 -2.01 -2.13 7.64 -1.26 -4.32 113.62 111.53 1y2y n SER 36 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 1y2y n SER 36 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1y2y n SER 36 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1y2y n PRO 37 N 0.00 0.00 0.04 1.43 -0.02 -1.26 -3.86 135.00 131.33 1y2y n PRO 37 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1y2y n PRO 37 Cb 0.00 -0.47 0.00 0.00 -0.02 0.00 0.00 33.50 33.01 1y2y n PRO 37 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1y2y n ASP 38 N 1.16 -0.71 -1.36 2.55 5.68 -1.24 -3.89 116.55 118.75 1y2y n ASP 38 Ca 0.04 0.19 -0.09 0.00 -0.50 0.00 0.00 54.79 54.43 1y2y n ASP 38 Cb 0.21 0.95 0.01 0.00 -1.14 0.00 0.00 41.12 41.16 1y2y n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1y2y n ASP 39 N -2.57 -3.41 -0.88 -1.12 8.00 -1.26 -1.54 116.55 113.76 1y2y n ASP 39 Ca 0.00 -0.11 -0.09 0.00 0.71 0.00 0.00 54.79 55.31 1y2y n ASP 39 Cb 0.00 -2.37 -0.02 0.00 -0.02 0.00 0.00 41.12 38.71 1y2y n ASP 39 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1y2y n LYS 40 N -2.08 -0.66 0.00 -1.24 3.00 -0.90 -4.48 118.16 111.80 1y2y n LYS 40 Ca -0.06 0.55 0.00 0.00 -0.00 0.00 0.00 58.31 58.81 1y2y n LYS 40 Cb 0.55 -4.50 0.00 0.00 0.00 0.00 0.00 35.03 31.09 1y2y n LYS 40 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1y2y n TYR 41 N -3.58 0.00 -2.69 5.64 9.36 -0.59 -3.96 117.16 121.34 1y2y n TYR 41 Ca -0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.12 1y2y n TYR 41 Cb 0.48 -0.24 0.00 0.00 -0.63 0.00 0.00 39.34 38.95 1y2y n TYR 41 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1y2y n SER 42 N -1.81 0.00 0.15 2.98 2.88 -1.26 -4.07 113.62 112.50 1y2y n SER 42 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1y2y n SER 42 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1y2y n SER 42 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1y2y n ARG 43 N 0.00 0.00 -2.66 -1.46 0.63 -1.26 -2.99 116.66 108.93 1y2y n ARG 43 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 1y2y n ARG 43 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 1y2y n ARG 43 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1y2y n GLN 44 N -3.44 -3.43 -1.92 -0.14 7.27 -1.26 -5.00 117.38 109.46 1y2y n GLN 44 Ca 0.00 2.63 -0.02 0.00 0.07 0.00 0.00 57.00 59.68 1y2y n GLN 44 Cb 0.00 -3.48 0.03 0.00 2.41 0.00 0.00 30.24 29.20 1y2y n GLN 44 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1y2y n ARG 45 N 2.00 0.71 -1.56 3.69 3.00 -1.26 -5.09 116.66 118.15 1y2y n ARG 45 Ca -0.22 -1.68 0.00 0.00 -0.00 0.00 0.00 57.85 55.95 1y2y n ARG 45 Cb 0.34 0.03 0.00 0.00 0.00 0.00 0.00 32.46 32.82 1y2y n ARG 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1y2y n VAL 46 N -0.49 -4.99 0.00 5.15 0.31 -1.26 -4.69 118.33 112.37 1y2y n VAL 46 Ca -0.13 2.22 0.00 0.00 -0.01 0.00 0.00 64.34 66.42 1y2y n VAL 46 Cb 0.86 -3.06 0.00 0.00 -0.91 0.00 0.00 33.84 30.73 1y2y n VAL 46 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1y2y n THR 47 N 0.32 0.00 -2.29 2.52 5.66 -1.26 -4.66 114.28 114.56 1y2y n THR 47 Ca 0.00 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.96 1y2y n THR 47 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1y2y n THR 47 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1y2y n LEU 48 N 0.00 -5.14 -3.39 1.09 7.94 -1.26 -5.06 117.00 111.18 1y2y n LEU 48 Ca 0.00 1.79 -0.18 0.00 -1.11 0.00 0.00 56.01 56.52 1y2y n LEU 48 Cb 0.00 -2.72 -0.09 0.00 0.53 0.00 0.00 43.42 41.13 1y2y n LEU 48 CO 0.00 -2.99 -0.17 -0.54 -1.11 0.00 0.00 177.39 172.57 1y2y s LYS 49 N -0.77 0.44 0.23 1.96 1.02 -1.26 -5.08 119.74 116.28 1y2y s LYS 49 Ca -0.20 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 55.35 1y2y s LYS 49 Cb 0.01 -0.70 0.00 0.00 -0.52 0.00 0.00 37.83 36.62 1y2y s LYS 49 CO 0.55 -1.09 0.00 1.63 -0.92 0.00 0.00 175.35 175.52 1y2y n LYS 50 N 4.89 -1.61 0.00 1.68 4.76 -1.26 -4.91 118.16 121.71 1y2y n LYS 50 Ca 0.03 1.25 0.00 0.00 -2.87 0.00 0.00 58.31 56.72 1y2y n LYS 50 Cb 0.46 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 1y2y n LYS 50 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1y2y n ARG 51 N -1.92 0.00 0.00 1.97 0.00 -1.26 -4.24 116.66 111.21 1y2y n ARG 51 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1y2y n ARG 51 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.65 1y2y n ARG 51 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1y2y n PHE 52 N -0.33 0.00 -1.93 2.89 3.01 -1.16 -4.72 117.46 115.22 1y2y n PHE 52 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.23 1y2y n PHE 52 Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 1y2y n PHE 52 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1y2y s GLY 53 N 0.00 -0.09 -0.02 1.37 0.00 -1.26 -2.11 107.32 105.20 1y2y s GLY 53 Ca 0.00 -1.44 -0.01 0.00 0.00 0.00 0.00 44.72 43.27 1y2y s GLY 53 CO 0.00 3.69 0.01 1.47 0.00 0.00 0.00 173.10 178.28 1y2y n LEU 54 N 15.29 -4.49 0.01 0.66 -0.00 -1.26 -4.91 117.00 122.29 1y2y n LEU 54 Ca 0.42 0.87 -0.13 0.00 -0.00 0.00 0.00 56.01 57.18 1y2y n LEU 54 Cb 0.46 -1.70 -0.10 0.00 -0.00 0.00 0.00 43.42 42.09 1y2y n LEU 54 CO 0.60 -2.46 0.53 0.58 -0.00 0.00 0.00 177.39 176.64 1y2y h VAL 55 N 4.50 1.26 0.00 1.47 2.07 -1.77 -3.37 116.25 120.42 1y2y h VAL 55 Ca -0.03 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.21 1y2y h VAL 55 Cb 0.39 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1y2y h VAL 55 CO 0.00 0.31 0.82 -0.81 0.02 0.00 0.00 177.57 177.91 1y2y n PRO 56 N -4.85 0.00 -2.45 1.57 -0.04 -1.25 -4.76 135.00 123.21 1y2y n PRO 56 Ca -0.09 -0.39 -0.39 0.00 -0.04 0.00 0.00 63.50 62.60 1y2y n PRO 56 Cb 0.29 -1.81 -0.02 0.00 -0.04 0.00 0.00 33.50 31.91 1y2y n PRO 56 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1y2y s GLY 57 N 4.26 1.19 0.00 0.55 0.00 -1.26 -4.95 107.32 107.10 1y2y s GLY 57 Ca 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 44.72 42.22 1y2y s GLY 57 CO 0.00 2.91 0.00 -1.06 0.00 0.00 0.00 173.10 174.95