#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x57 n SER -14 N 0.00 0.67 0.27 -3.46 3.41 -1.26 -5.01 113.62 108.24 2x57 n SER -14 Ca 0.00 -2.70 0.12 0.00 -0.26 0.00 0.00 58.87 56.03 2x57 n SER -14 Cb 0.00 0.95 0.79 0.00 -0.26 0.00 0.00 64.21 65.69 2x57 n SER -14 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2x57 h GLY -13 N 1.36 0.00 0.99 5.00 0.00 -2.04 -2.45 103.07 105.93 2x57 h GLY -13 Ca -0.23 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2x57 h GLY -13 CO 0.36 0.00 0.31 -2.08 0.00 0.00 0.00 176.54 175.13 2x57 h VAL -12 N 0.00 1.18 -0.03 4.60 2.07 -1.97 -2.12 116.25 119.98 2x57 h VAL -12 Ca 0.01 -0.46 -0.11 0.00 0.82 0.00 0.00 66.70 66.96 2x57 h VAL -12 Cb 0.04 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2x57 h VAL -12 CO -0.00 0.20 -0.50 0.44 0.02 0.00 0.00 177.57 177.73 2x57 h ASP -11 N 0.75 0.08 0.13 0.57 3.32 -1.84 -2.64 116.42 116.80 2x57 h ASP -11 Ca 0.20 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2x57 h ASP -11 Cb 0.04 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2x57 h ASP -11 CO -0.03 0.57 -0.15 0.18 -1.72 0.00 0.00 179.24 178.08 2x57 n LEU -10 N -3.95 1.24 -4.76 1.55 4.77 -1.13 -4.53 117.00 110.19 2x57 n LEU -10 Ca -0.02 -0.37 -0.36 0.00 -0.03 0.00 0.00 56.01 55.24 2x57 n LEU -10 Cb 0.52 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.56 2x57 n LEU -10 CO 0.41 0.22 0.84 -0.83 -1.33 0.00 0.00 177.39 176.70 2x57 s GLY -9 N -2.29 2.73 0.53 -0.72 0.00 -0.81 -4.82 107.32 101.94 2x57 s GLY -9 Ca 0.30 0.98 0.31 0.00 0.00 0.00 0.00 44.72 46.31 2x57 s GLY -9 CO 0.44 1.38 2.01 -0.91 0.00 0.00 0.00 173.10 176.02 2x57 h THR -8 N 1.12 0.29 -0.26 0.90 1.35 -1.92 -1.43 112.91 112.97 2x57 h THR -8 Ca -0.50 -0.63 -0.06 0.00 -0.55 0.00 0.00 66.41 64.67 2x57 h THR -8 Cb 1.28 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 69.18 2x57 h THR -8 CO 0.56 0.09 -0.06 -0.08 -0.25 0.00 0.00 175.52 175.78 2x57 h GLU -7 N 0.00 0.51 -0.42 4.72 4.81 -1.93 -1.27 114.58 121.00 2x57 h GLU -7 Ca -0.00 -0.20 -0.13 0.00 -0.13 0.00 0.00 59.36 58.90 2x57 h GLU -7 Cb 0.48 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2x57 h GLU -7 CO 0.01 0.72 -0.27 -0.97 -0.73 0.00 0.00 179.01 177.78 2x57 h ASN -6 N 0.26 0.92 -0.85 1.04 -1.24 -1.69 -2.76 115.58 111.26 2x57 h ASN -6 Ca 0.07 -0.37 -0.00 0.00 0.71 0.00 0.00 56.30 56.71 2x57 h ASN -6 Cb 0.54 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 39.29 2x57 h ASN -6 CO 0.03 1.13 0.52 -0.07 -1.29 0.00 0.00 177.43 177.75 2x57 h LEU -5 N 0.76 1.01 0.25 0.34 3.38 -1.13 0.63 115.31 120.56 2x57 h LEU -5 Ca 0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2x57 h LEU -5 Cb 0.83 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2x57 h LEU -5 CO 0.07 0.77 -0.12 0.22 0.09 0.00 0.00 178.44 179.47 2x57 h TYR -4 N 1.17 -0.31 -0.06 1.13 3.20 -1.17 -1.30 116.97 119.62 2x57 h TYR -4 Ca 0.31 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.20 2x57 h TYR -4 Cb -0.06 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 2x57 h TYR -4 CO 0.00 -0.11 -0.15 0.35 -1.64 0.00 0.00 178.16 176.61 2x57 h PHE -3 N -0.45 -0.39 -0.95 -3.82 3.57 -1.26 -3.07 116.94 110.57 2x57 h PHE -3 Ca -0.03 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.52 2x57 h PHE -3 Cb 0.34 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.21 2x57 h PHE -3 CO -0.03 -0.22 0.63 1.96 -2.23 0.00 0.00 178.31 178.42 2x57 h GLN -2 N -0.22 1.16 -1.93 1.11 1.08 -0.70 -3.09 115.11 112.53 2x57 h GLN -2 Ca 0.07 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2x57 h GLN -2 Cb 0.32 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2x57 h GLN -2 CO -0.19 0.77 0.00 0.43 -0.95 0.00 0.00 178.83 178.89 2x57 n SER -1 N -4.44 0.90 0.00 1.46 7.64 -0.51 -4.65 113.62 114.02 2x57 n SER -1 Ca 0.13 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 59.04 2x57 n SER -1 Cb 0.10 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2x57 n SER -1 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2x57 n ARG 26 N 1.54 0.00 -0.24 1.43 1.74 -1.17 -4.81 116.66 115.16 2x57 n ARG 26 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 2x57 n ARG 26 Cb 0.10 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.58 2x57 n ARG 26 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 2x57 h PHE 27 N 0.00 0.95 -0.17 -1.55 0.04 -1.92 -1.58 116.94 112.71 2x57 h PHE 27 Ca 0.00 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2x57 h PHE 27 Cb 0.00 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 37.85 2x57 h PHE 27 CO 0.00 0.71 0.11 1.25 -0.60 0.00 0.00 178.31 179.78 2x57 h HIS 28 N 0.91 0.21 -0.64 -0.55 -0.00 -1.97 -1.36 115.15 111.76 2x57 h HIS 28 Ca 0.23 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.55 2x57 h HIS 28 Cb 0.11 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.42 2x57 h HIS 28 CO 0.00 0.14 0.20 -0.07 -0.00 0.00 0.00 177.93 178.20 2x57 h LEU 29 N 0.23 0.94 -0.53 0.26 3.38 -1.89 -0.62 115.31 117.07 2x57 h LEU 29 Ca 0.06 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2x57 h LEU 29 Cb -0.02 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 2x57 h LEU 29 CO -0.01 0.90 0.32 -0.33 0.09 0.00 0.00 178.44 179.41 2x57 h GLU 30 N 0.93 0.62 -0.41 1.13 5.08 -1.11 -1.12 114.58 119.71 2x57 h GLU 30 Ca 0.21 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.38 2x57 h GLU 30 Cb 0.30 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2x57 h GLU 30 CO -0.01 0.41 -0.34 0.82 -1.00 0.00 0.00 179.01 178.89 2x57 h ILE 31 N 0.64 1.27 -0.37 3.13 2.04 -0.84 -2.43 117.51 120.94 2x57 h ILE 31 Ca 0.21 -1.51 -0.10 0.00 1.00 0.00 0.00 64.86 64.46 2x57 h ILE 31 Cb 0.01 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 2x57 h ILE 31 CO -0.09 0.51 -0.18 -0.61 0.00 0.00 0.00 178.15 177.78 2x57 h GLN 32 N 0.78 0.70 -0.87 2.37 4.15 -1.03 0.14 115.11 121.36 2x57 h GLN 32 Ca 0.07 -0.26 -0.01 0.00 0.77 0.00 0.00 58.65 59.23 2x57 h GLN 32 Cb 0.93 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.53 2x57 h GLN 32 CO 0.09 0.84 0.50 1.49 -1.93 0.00 0.00 178.83 179.82 2x57 h GLU 33 N 0.63 1.19 -0.24 1.69 4.57 -1.09 -0.13 114.58 121.20 2x57 h GLU 33 Ca 0.10 -0.12 -0.10 0.00 -1.18 0.00 0.00 59.36 58.05 2x57 h GLU 33 Cb 0.65 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2x57 h GLU 33 CO 0.05 0.85 -0.29 0.93 -1.18 0.00 0.00 179.01 179.37 2x57 h GLU 34 N 1.20 0.48 -0.28 1.92 4.39 -0.82 -1.68 114.58 119.80 2x57 h GLU 34 Ca 0.31 -0.20 -0.09 0.00 0.34 0.00 0.00 59.36 59.72 2x57 h GLU 34 Cb -0.02 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2x57 h GLU 34 CO -0.05 0.73 -0.17 0.93 -1.16 0.00 0.00 179.01 179.28 2x57 h GLU 35 N 0.42 0.60 -0.33 2.33 5.08 -0.61 -1.01 114.58 121.07 2x57 h GLU 35 Ca 0.06 -0.28 0.04 0.00 -1.00 0.00 0.00 59.36 58.18 2x57 h GLU 35 Cb 0.73 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 2x57 h GLU 35 CO 0.06 0.86 0.09 1.15 -1.00 0.00 0.00 179.01 180.16 2x57 h THR 36 N 0.34 0.87 -0.74 1.13 2.02 -0.92 -0.88 112.91 114.73 2x57 h THR 36 Ca 0.06 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2x57 h THR 36 Cb 0.70 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 2x57 h THR 36 CO 0.05 0.04 0.44 0.11 0.37 0.00 0.00 175.52 176.52 2x57 h LYS 37 N 0.21 1.00 -0.15 6.66 1.57 -1.20 -1.10 116.57 123.57 2x57 h LYS 37 Ca 0.15 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2x57 h LYS 37 Cb 0.15 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2x57 h LYS 37 CO -0.18 0.71 0.08 0.00 -0.57 0.00 0.00 179.45 179.49 2x57 h ALA 39 N 0.97 0.58 -0.47 0.00 0.00 -0.69 -0.87 119.26 118.78 2x57 h ALA 39 Ca 0.05 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2x57 h ALA 39 Cb 0.08 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2x57 h ALA 39 CO -0.01 -0.22 0.20 0.93 0.00 0.00 0.00 179.25 180.16 2x57 h GLU 40 N 0.35 0.69 -0.43 0.00 4.39 -1.02 -1.02 114.58 117.54 2x57 h GLU 40 Ca 0.23 -0.12 0.04 0.00 0.34 0.00 0.00 59.36 59.85 2x57 h GLU 40 Cb 0.23 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 2x57 h GLU 40 CO -0.23 0.61 0.21 1.25 -1.16 0.00 0.00 179.01 179.69 2x57 h LEU 41 N 0.62 0.29 -0.84 1.33 5.85 -0.48 -1.26 115.31 120.82 2x57 h LEU 41 Ca 0.16 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 2x57 h LEU 41 Cb 0.17 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2x57 h LEU 41 CO -0.02 0.21 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.88 2x57 h LEU 42 N 0.42 0.47 -0.52 2.25 3.38 -1.00 -2.57 115.31 117.73 2x57 h LEU 42 Ca 0.19 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2x57 h LEU 42 Cb 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2x57 h LEU 42 CO -0.14 0.78 -0.11 -0.09 0.09 0.00 0.00 178.44 178.98 2x57 h ARG 43 N 0.39 1.00 0.00 1.13 9.65 -0.65 -2.77 114.38 123.12 2x57 h ARG 43 Ca 0.04 -0.37 0.00 0.00 -1.10 0.00 0.00 59.98 58.55 2x57 h ARG 43 Cb 0.79 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.31 2x57 h ARG 43 CO 0.06 1.05 0.00 0.66 2.80 0.00 0.00 179.97 184.55 2x57 h SER 44 N 0.87 0.00 -0.35 -3.80 4.64 -0.85 -2.90 113.55 111.15 2x57 h SER 44 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2x57 h SER 44 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2x57 h SER 44 CO 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 2x57 n GLN 45 N -2.54 2.30 0.16 4.77 1.13 -1.06 -4.75 117.38 117.39 2x57 n GLN 45 Ca 0.00 -2.06 0.04 0.00 -1.94 0.00 0.00 57.00 53.05 2x57 n GLN 45 Cb 0.19 -1.39 0.47 0.00 0.11 0.00 0.00 30.24 29.63 2x57 n GLN 45 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 2x57 h THR 46 N 3.23 1.12 0.00 5.09 1.35 -1.40 -2.13 112.91 120.18 2x57 h THR 46 Ca 0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2x57 h THR 46 Cb 0.81 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2x57 h THR 46 CO 0.00 0.16 0.00 -0.33 -0.25 0.00 0.00 175.52 175.10 2x57 h GLU 47 N 0.16 0.00 0.00 4.72 4.39 -1.85 -3.33 114.58 118.67 2x57 h GLU 47 Ca 0.04 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 2x57 h GLU 47 Cb 0.23 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 2x57 h GLU 47 CO 0.01 0.00 -0.76 0.87 -1.16 0.00 0.00 179.01 177.97 2x57 h LYS 48 N 0.00 0.00 -6.13 2.33 1.57 -1.75 -3.49 116.57 109.10 2x57 h LYS 48 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 2x57 h LYS 48 Cb 0.41 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.73 2x57 h LYS 48 CO 0.00 0.47 -0.96 0.72 -0.57 0.00 0.00 179.45 179.11 2x57 n HIS 49 N -3.14 -2.93 -3.13 -1.35 8.25 -1.25 -4.99 115.22 106.67 2x57 n HIS 49 Ca -0.01 1.21 -0.22 0.00 -0.26 0.00 0.00 57.72 58.44 2x57 n HIS 49 Cb 0.77 -2.62 0.01 0.00 1.12 0.00 0.00 29.99 29.27 2x57 n HIS 49 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2x57 s LYS 50 N -2.63 3.12 0.27 -0.41 1.02 -1.26 -5.01 119.74 114.83 2x57 s LYS 50 Ca 0.32 -0.58 -0.04 0.00 0.02 0.00 0.00 55.97 55.69 2x57 s LYS 50 Cb -0.05 -2.62 0.35 0.00 -0.52 0.00 0.00 37.83 34.99 2x57 s LYS 50 CO 0.84 -0.16 1.93 0.00 -0.92 0.00 0.00 175.35 177.04 2x57 h ALA 51 N 0.54 1.35 -3.80 5.17 0.00 -1.88 -3.37 119.26 117.27 2x57 h ALA 51 Ca -0.46 -0.06 -0.67 0.00 0.00 0.00 0.00 54.91 53.72 2x57 h ALA 51 Cb 1.25 -0.36 -0.37 0.00 0.00 0.00 0.00 17.79 18.31 2x57 h ALA 51 CO 0.57 0.58 -0.78 0.00 0.00 0.00 0.00 179.25 179.62 2x57 s SER 53 N 1.12 4.29 0.30 0.00 1.04 -1.26 -1.31 113.70 117.87 2x57 s SER 53 Ca -0.07 1.71 -0.29 0.00 0.48 0.00 0.00 55.95 57.78 2x57 s SER 53 Cb -0.20 -2.42 -0.10 0.00 0.10 0.00 0.00 66.02 63.40 2x57 s SER 53 CO -0.05 -2.15 1.35 -0.83 0.98 0.00 0.00 173.24 172.54 2x57 s GLY 54 N -3.44 2.77 0.13 7.32 0.00 -1.26 -4.71 107.32 108.13 2x57 s GLY 54 Ca 0.62 1.29 0.01 0.00 0.00 0.00 0.00 44.72 46.63 2x57 s GLY 54 CO 0.56 2.05 0.00 -1.34 0.00 0.00 0.00 173.10 174.37 2x57 s VAL 55 N -0.74 0.45 -0.15 1.40 -7.23 -0.71 -4.97 120.40 108.46 2x57 s VAL 55 Ca 0.53 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 2x57 s VAL 55 Cb -0.40 -1.94 0.03 0.00 0.56 0.00 0.00 36.38 34.63 2x57 s VAL 55 CO 0.50 -0.61 -0.10 0.86 -0.31 0.00 0.00 175.10 175.43 2x57 s TRP 56 N -3.80 1.93 0.20 2.82 -0.11 -1.26 -0.72 118.94 118.01 2x57 s TRP 56 Ca 0.19 -1.13 -0.15 0.00 1.22 0.00 0.00 56.10 56.24 2x57 s TRP 56 Cb 0.07 -1.45 0.01 0.00 -1.50 0.00 0.00 33.47 30.60 2x57 s TRP 56 CO -0.00 -0.63 0.48 0.16 -4.62 0.00 0.00 176.95 172.34 2x57 s ASP 57 N 1.56 -0.17 -1.42 5.86 1.47 -0.92 -4.91 116.67 118.14 2x57 s ASP 57 Ca 0.03 -0.66 -0.09 0.00 1.18 0.00 0.00 52.55 53.01 2x57 s ASP 57 Cb -0.14 0.56 0.06 0.00 -0.34 0.00 0.00 42.92 43.06 2x57 s ASP 57 CO -0.09 -1.06 0.64 0.59 0.68 0.00 0.00 175.17 175.94 2x57 n ASN 58 N -0.33 -4.64 -4.21 2.11 3.02 -1.26 -1.10 115.26 108.85 2x57 n ASN 58 Ca -0.07 -0.45 -0.33 0.00 -0.03 0.00 0.00 54.58 53.69 2x57 n ASN 58 Cb 0.62 -3.77 -0.05 0.00 -0.61 0.00 0.00 39.78 35.98 2x57 n ASN 58 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2x57 n ILE 59 N -4.27 -1.47 -3.84 2.41 -5.35 -1.26 -4.85 119.36 100.73 2x57 n ILE 59 Ca -0.03 -0.23 -0.13 0.00 -0.27 0.00 0.00 62.75 62.09 2x57 n ILE 59 Cb 0.56 -1.69 -0.14 0.00 -1.74 0.00 0.00 39.64 36.63 2x57 n ILE 59 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2x57 s THR 60 N -3.67 -0.01 -0.10 7.28 2.01 -0.26 -4.88 115.64 116.01 2x57 s THR 60 Ca 0.41 0.05 -0.28 0.00 0.31 0.00 0.00 61.69 62.18 2x57 s THR 60 Cb -0.23 -0.07 -0.02 0.00 0.01 0.00 0.00 72.50 72.19 2x57 s THR 60 CO 0.94 0.02 0.95 0.00 -0.69 0.00 0.00 174.62 175.84 2x57 s TRP 62 N 1.78 3.54 0.83 0.00 0.52 0.10 -5.02 118.94 120.70 2x57 s TRP 62 Ca 0.46 -2.27 -0.12 0.00 0.02 0.00 0.00 56.10 54.19 2x57 s TRP 62 Cb -0.18 -3.31 0.10 0.00 -1.15 0.00 0.00 33.47 28.93 2x57 s TRP 62 CO 0.19 -0.98 1.19 -0.98 0.02 0.00 0.00 176.95 176.39 2x57 s ARG 63 N 1.19 1.49 0.59 4.98 1.04 -1.26 -1.73 118.95 125.25 2x57 s ARG 63 Ca 0.08 1.70 -0.20 0.00 -1.04 0.00 0.00 55.73 56.26 2x57 s ARG 63 Cb -0.24 -1.76 -0.03 0.00 -2.04 0.00 0.00 34.95 30.88 2x57 s ARG 63 CO -0.03 -2.32 1.29 -2.30 -0.04 0.00 0.00 175.30 171.90 2x57 n PRO 64 N -3.54 1.36 -3.85 3.89 -0.02 -1.26 -4.69 135.00 126.90 2x57 n PRO 64 Ca 0.13 0.52 -0.09 0.00 -2.02 0.00 0.00 63.50 62.03 2x57 n PRO 64 Cb 0.51 -2.51 -0.07 0.00 -0.02 0.00 0.00 33.50 31.41 2x57 n PRO 64 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x57 s ALA 65 N -1.35 -0.30 0.27 3.55 0.00 -0.43 -4.96 121.76 118.54 2x57 s ALA 65 Ca 0.77 -0.59 0.07 0.00 0.00 0.00 0.00 51.96 52.21 2x57 s ALA 65 Cb -0.40 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 2x57 s ALA 65 CO 0.45 -0.58 0.25 -0.80 0.00 0.00 0.00 175.76 175.08 2x57 s ASN 66 N -2.88 5.57 0.23 0.00 0.01 -1.26 -1.34 114.94 115.27 2x57 s ASN 66 Ca 0.08 -0.27 -0.31 0.00 -0.71 0.00 0.00 52.86 51.65 2x57 s ASN 66 Cb 0.04 -1.34 -0.14 0.00 0.41 0.00 0.00 41.25 40.22 2x57 s ASN 66 CO -0.08 -0.14 1.34 0.52 -1.51 0.00 0.00 177.10 177.23 2x57 n VAL 67 N -1.27 1.01 -0.01 1.60 0.31 -1.26 -1.85 118.33 116.85 2x57 n VAL 67 Ca -0.06 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 2x57 n VAL 67 Cb 0.58 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 2x57 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2x57 n GLY 68 N 2.04 1.05 3.81 2.92 0.00 0.20 -4.99 105.19 110.23 2x57 n GLY 68 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2x57 n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x57 s GLU 69 N -0.65 4.30 -0.15 1.61 2.02 -0.77 -4.91 118.70 120.16 2x57 s GLU 69 Ca 0.00 0.99 0.00 0.00 0.02 0.00 0.00 54.97 55.98 2x57 s GLU 69 Cb 0.00 -2.72 -0.00 0.00 0.10 0.00 0.00 34.13 31.51 2x57 s GLU 69 CO 0.00 0.29 -0.15 0.99 0.02 0.00 0.00 175.26 176.40 2x57 s THR 70 N -1.68 2.69 -0.21 3.63 2.01 -1.26 -1.17 115.64 119.65 2x57 s THR 70 Ca 0.48 -0.77 -0.09 0.00 0.31 0.00 0.00 61.69 61.63 2x57 s THR 70 Cb -0.15 -2.13 -0.05 0.00 0.01 0.00 0.00 72.50 70.18 2x57 s THR 70 CO 0.20 0.52 0.11 -0.69 -0.69 0.00 0.00 174.62 174.07 2x57 s VAL 71 N 0.74 5.11 -0.05 3.82 1.01 0.22 -4.96 120.40 126.29 2x57 s VAL 71 Ca -0.06 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.04 2x57 s VAL 71 Cb -0.15 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.88 2x57 s VAL 71 CO 0.01 0.41 -0.14 -0.89 0.00 0.00 0.00 175.10 174.48 2x57 s THR 72 N 0.69 1.24 0.05 3.92 2.01 -1.26 -1.29 115.64 121.00 2x57 s THR 72 Ca 0.06 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.47 2x57 s THR 72 Cb -0.13 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 2x57 s THR 72 CO 0.01 0.37 -0.04 0.68 -0.69 0.00 0.00 174.62 174.95 2x57 s VAL 73 N 0.22 0.34 0.77 3.82 -7.23 0.11 -4.99 120.40 113.44 2x57 s VAL 73 Ca -0.06 -1.59 -0.14 0.00 -1.81 0.00 0.00 61.98 58.38 2x57 s VAL 73 Cb -0.12 -1.22 0.06 0.00 0.56 0.00 0.00 36.38 35.66 2x57 s VAL 73 CO 0.02 -0.81 1.19 -2.16 -0.31 0.00 0.00 175.10 173.03 2x57 s PRO 74 N -3.18 1.91 0.68 4.82 0.04 -1.26 -1.03 135.00 136.98 2x57 s PRO 74 Ca 0.02 1.69 -0.17 0.00 0.04 0.00 0.00 61.00 62.58 2x57 s PRO 74 Cb 0.02 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.75 2x57 s PRO 74 CO -0.06 -1.99 1.21 0.00 0.04 0.00 0.00 177.00 176.20 2x57 n PRO 76 N -2.06 2.07 0.26 0.00 -0.02 -1.26 -4.84 135.00 129.15 2x57 n PRO 76 Ca 0.15 0.76 0.09 0.00 -2.02 0.00 0.00 63.50 62.48 2x57 n PRO 76 Cb 0.49 -2.57 0.68 0.00 -0.02 0.00 0.00 33.50 32.07 2x57 n PRO 76 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2x57 h LYS 77 N 8.39 0.00 -0.81 -0.52 3.64 -1.97 -2.71 116.57 122.59 2x57 h LYS 77 Ca -0.48 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.08 2x57 h LYS 77 Cb 1.27 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.04 2x57 h LYS 77 CO 0.94 0.04 0.54 -0.24 -2.27 0.00 0.00 179.45 178.46 2x57 h VAL 78 N 0.00 0.72 -0.62 2.00 3.04 -1.97 -0.96 116.25 118.46 2x57 h VAL 78 Ca -0.00 -0.12 -0.20 0.00 -1.01 0.00 0.00 66.70 65.38 2x57 h VAL 78 Cb 0.07 0.35 -0.12 0.00 -2.01 0.00 0.00 31.29 29.59 2x57 h VAL 78 CO 0.01 0.06 0.20 0.49 -1.01 0.00 0.00 177.57 177.32 2x57 n PHE 79 N -4.46 2.06 -0.31 3.17 3.72 -1.02 -4.71 117.46 115.90 2x57 n PHE 79 Ca 0.16 -1.25 0.13 0.00 -0.05 0.00 0.00 57.45 56.44 2x57 n PHE 79 Cb 0.64 -0.62 0.31 0.00 -0.94 0.00 0.00 39.48 38.87 2x57 n PHE 79 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2x57 h SER 80 N 2.19 0.44 0.55 4.37 0.02 -1.31 0.39 113.55 120.21 2x57 h SER 80 Ca 0.24 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 2x57 h SER 80 Cb 2.13 0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.76 2x57 h SER 80 CO 0.63 0.06 0.00 0.59 -1.14 0.00 0.00 176.83 176.97 2x57 n ASN 81 N -4.98 0.05 -0.73 3.07 3.02 -1.26 -2.75 115.26 111.68 2x57 n ASN 81 Ca 0.22 0.51 0.09 0.00 -0.03 0.00 0.00 54.58 55.38 2x57 n ASN 81 Cb 0.63 -0.52 0.07 0.00 -0.61 0.00 0.00 39.78 39.36 2x57 n ASN 81 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2x57 n PHE 82 N -1.56 0.00 -3.05 3.10 3.72 0.13 -4.97 117.46 114.83 2x57 n PHE 82 Ca 0.04 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.04 2x57 n PHE 82 Cb 0.19 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.68 2x57 n PHE 82 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2x57 s TYR 83 N -1.57 3.65 -1.80 1.38 2.02 -1.11 -1.08 117.35 118.85 2x57 s TYR 83 Ca 0.21 1.32 0.23 0.00 -0.37 0.00 0.00 57.07 58.47 2x57 s TYR 83 Cb 0.15 -2.78 0.16 0.00 -0.40 0.00 0.00 41.96 39.10 2x57 s TYR 83 CO 0.24 0.20 1.19 -1.13 -1.57 0.00 0.00 175.55 174.48 2x57 n SER 84 N 3.24 1.61 -3.75 2.29 3.41 -0.49 -4.98 113.62 114.95 2x57 n SER 84 Ca -0.03 -1.25 -0.10 0.00 -0.26 0.00 0.00 58.87 57.23 2x57 n SER 84 Cb 0.51 0.46 -0.06 0.00 -0.26 0.00 0.00 64.21 64.86 2x57 n SER 84 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2x57 s LYS 85 N -2.57 0.92 0.14 4.33 -2.85 -1.26 -5.02 119.74 113.43 2x57 s LYS 85 Ca 0.18 -0.74 -0.31 0.00 -1.00 0.00 0.00 55.97 54.10 2x57 s LYS 85 Cb 0.18 0.39 -0.08 0.00 -2.06 0.00 0.00 37.83 36.26 2x57 s LYS 85 CO 0.61 -0.32 1.30 0.00 0.10 0.00 0.00 175.35 177.04 2x57 s ALA 86 N -3.48 3.51 0.02 0.59 0.00 -1.26 -4.66 121.76 116.49 2x57 s ALA 86 Ca 0.02 1.04 -0.28 0.00 0.00 0.00 0.00 51.96 52.74 2x57 s ALA 86 Cb 0.02 -3.49 0.10 0.00 0.00 0.00 0.00 23.12 19.75 2x57 s ALA 86 CO -0.09 -0.52 0.91 0.20 0.00 0.00 0.00 175.76 176.26 2x57 s GLY 87 N 0.71 -0.41 0.08 0.00 0.00 -1.26 -4.96 107.32 101.47 2x57 s GLY 87 Ca 0.59 0.83 -0.02 0.00 0.00 0.00 0.00 44.72 46.12 2x57 s GLY 87 CO 0.34 0.27 0.02 0.54 0.00 0.00 0.00 173.10 174.27 2x57 s ASN 88 N -2.58 0.39 0.15 1.64 2.20 -1.26 -2.73 114.94 112.75 2x57 s ASN 88 Ca 0.07 -1.01 0.08 0.00 -0.94 0.00 0.00 52.86 51.05 2x57 s ASN 88 Cb -0.01 0.25 -0.04 0.00 -2.00 0.00 0.00 41.25 39.45 2x57 s ASN 88 CO -0.07 -0.66 -0.17 0.27 -2.94 0.00 0.00 177.10 173.54 2x57 s ILE 89 N -3.95 1.70 0.06 0.54 -4.36 -0.20 -4.80 121.20 110.19 2x57 s ILE 89 Ca 0.11 -1.86 -0.06 0.00 -0.26 0.00 0.00 60.65 58.58 2x57 s ILE 89 Cb 0.07 -1.76 -0.01 0.00 1.25 0.00 0.00 42.46 42.01 2x57 s ILE 89 CO -0.07 -0.34 0.11 -0.44 0.24 0.00 0.00 174.94 174.44 2x57 s SER 90 N -2.60 0.22 -0.09 4.36 0.01 -1.26 -0.71 113.70 113.62 2x57 s SER 90 Ca 0.14 -0.69 -0.08 0.00 1.31 0.00 0.00 55.95 56.63 2x57 s SER 90 Cb -0.06 0.27 0.03 0.00 0.21 0.00 0.00 66.02 66.47 2x57 s SER 90 CO 0.06 -0.63 0.25 -0.75 0.41 0.00 0.00 173.24 172.58 2x57 s LYS 91 N -3.45 0.28 -0.11 12.44 2.20 -0.41 -3.84 119.74 126.84 2x57 s LYS 91 Ca 0.02 0.37 -0.04 0.00 -0.36 0.00 0.00 55.97 55.95 2x57 s LYS 91 Cb 0.04 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.43 2x57 s LYS 91 CO -0.09 -0.05 0.05 -0.80 -0.36 0.00 0.00 175.35 174.10 2x57 s ASN 92 N 0.27 5.58 -0.24 1.43 0.01 -1.26 -0.61 114.94 120.12 2x57 s ASN 92 Ca -0.01 0.21 -0.16 0.00 -0.71 0.00 0.00 52.86 52.19 2x57 s ASN 92 Cb -0.03 -1.72 -0.04 0.00 0.41 0.00 0.00 41.25 39.88 2x57 s ASN 92 CO -0.01 0.35 0.42 0.00 -1.51 0.00 0.00 177.10 176.35 2x57 s THR 94 N 1.84 1.67 -0.28 0.00 -4.23 0.12 -0.63 115.64 114.13 2x57 s THR 94 Ca 0.18 -1.75 0.24 0.00 -1.18 0.00 0.00 61.69 59.18 2x57 s THR 94 Cb -0.15 -2.42 0.25 0.00 1.34 0.00 0.00 72.50 71.52 2x57 s THR 94 CO 0.09 0.00 1.73 0.77 -0.54 0.00 0.00 174.62 176.67 2x57 h SER 95 N 1.19 0.00 -0.29 3.99 4.64 -1.97 -2.11 113.55 118.99 2x57 h SER 95 Ca -0.41 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.76 2x57 h SER 95 Cb 1.29 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.29 2x57 h SER 95 CO 0.68 0.00 -0.15 0.47 -0.87 0.00 0.00 176.83 176.95 2x57 n ASP 96 N -2.33 2.33 0.00 4.97 9.92 -1.26 -5.09 116.55 125.09 2x57 n ASP 96 Ca 0.00 -3.81 0.00 0.00 -0.53 0.00 0.00 54.79 50.46 2x57 n ASP 96 Cb 0.14 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 40.00 2x57 n ASP 96 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2x57 n GLY 97 N -1.12 -1.77 3.77 0.44 0.00 -0.79 -4.98 105.19 100.73 2x57 n GLY 97 Ca 0.31 -2.06 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 2x57 n GLY 97 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2x57 s TRP 98 N -0.04 3.36 0.82 1.61 0.52 -1.26 -0.70 118.94 123.25 2x57 s TRP 98 Ca 0.00 1.66 -0.11 0.00 0.02 0.00 0.00 56.10 57.67 2x57 s TRP 98 Cb 0.00 -3.17 0.09 0.00 -1.15 0.00 0.00 33.47 29.23 2x57 s TRP 98 CO 0.00 -0.61 1.09 -1.54 0.02 0.00 0.00 176.95 175.91 2x57 s SER 99 N -1.37 4.14 0.59 2.95 1.04 0.49 -4.90 113.70 116.64 2x57 s SER 99 Ca 0.54 1.56 -0.20 0.00 0.48 0.00 0.00 55.95 58.33 2x57 s SER 99 Cb -0.25 -2.28 -0.03 0.00 0.10 0.00 0.00 66.02 63.56 2x57 s SER 99 CO 0.31 -2.23 1.32 -0.70 0.98 0.00 0.00 173.24 172.93 2x57 s GLU 100 N -4.98 2.92 -0.35 4.02 2.12 -1.26 -4.63 118.70 116.54 2x57 s GLU 100 Ca 0.62 2.14 -0.29 0.00 0.36 0.00 0.00 54.97 57.80 2x57 s GLU 100 Cb -0.17 -2.09 0.01 0.00 0.26 0.00 0.00 34.13 32.15 2x57 s GLU 100 CO 0.56 -1.34 1.17 0.99 -0.54 0.00 0.00 175.26 176.11 2x57 s THR 101 N -1.35 4.30 -0.21 -1.70 2.01 -1.26 -4.74 115.64 112.69 2x57 s THR 101 Ca 0.76 1.45 -0.09 0.00 0.31 0.00 0.00 61.69 64.12 2x57 s THR 101 Cb -0.39 -4.37 0.08 0.00 0.01 0.00 0.00 72.50 67.84 2x57 s THR 101 CO 0.44 -0.61 0.48 0.12 -0.69 0.00 0.00 174.62 174.36 2x57 s PHE 102 N 4.13 -0.84 0.73 4.92 5.36 -1.25 -3.96 117.98 127.06 2x57 s PHE 102 Ca 0.50 1.63 -0.14 0.00 -0.96 0.00 0.00 56.93 57.96 2x57 s PHE 102 Cb -0.12 0.40 0.04 0.00 -0.34 0.00 0.00 43.02 43.00 2x57 s PHE 102 CO 0.22 -0.46 1.17 -1.25 -1.46 0.00 0.00 175.22 173.43 2x57 s PRO 103 N 2.09 2.23 0.54 10.12 0.04 -1.26 -4.75 135.00 144.02 2x57 s PRO 103 Ca -0.06 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2x57 s PRO 103 Cb -0.10 -1.86 0.11 0.00 0.04 0.00 0.00 34.50 32.69 2x57 s PRO 103 CO -0.15 -1.74 0.75 -0.40 0.04 0.00 0.00 177.00 175.51 2x57 n ASP 104 N -2.81 1.06 -0.23 6.66 5.75 -1.25 -4.60 116.55 121.12 2x57 n ASP 104 Ca 0.12 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 2x57 n ASP 104 Cb 0.51 -0.48 0.07 0.00 -1.03 0.00 0.00 41.12 40.19 2x57 n ASP 104 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2x57 h PHE 105 N -0.51 -0.38 0.22 2.11 3.57 -1.91 0.07 116.94 120.11 2x57 h PHE 105 Ca -0.25 0.06 -0.32 0.00 3.53 0.00 0.00 57.97 61.00 2x57 h PHE 105 Cb 0.93 0.27 0.03 0.00 2.79 0.00 0.00 35.95 39.97 2x57 h PHE 105 CO 0.00 -0.30 -1.42 0.28 -2.23 0.00 0.00 178.31 174.65 2x57 h VAL 106 N -0.01 1.34 0.16 1.41 2.07 -1.93 -0.96 116.25 118.33 2x57 h VAL 106 Ca 0.32 -2.81 -0.01 0.00 0.82 0.00 0.00 66.70 65.02 2x57 h VAL 106 Cb 0.50 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 2x57 h VAL 106 CO -0.70 0.84 -0.07 0.44 0.02 0.00 0.00 177.57 178.09 2x57 h ASP 107 N 0.13 -0.18 -0.44 0.57 5.19 -1.88 -1.93 116.42 117.88 2x57 h ASP 107 Ca -0.22 -0.22 -0.04 0.00 -0.62 0.00 0.00 57.03 55.93 2x57 h ASP 107 Cb 2.11 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 41.65 2x57 h ASP 107 CO 0.25 0.13 0.15 0.00 -3.12 0.00 0.00 179.24 176.65 2x57 h ALA 108 N 0.29 1.33 0.00 3.45 0.00 -0.99 -3.24 119.26 120.11 2x57 h ALA 108 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2x57 h ALA 108 Cb 0.38 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2x57 h ALA 108 CO 0.04 0.48 -1.00 0.00 0.00 0.00 0.00 179.25 178.77 2x57 n GLY 110 N 1.50 -0.54 3.75 0.00 0.00 -0.77 -3.84 105.19 105.29 2x57 n GLY 110 Ca 0.04 0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 2x57 n GLY 110 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2x57 s TYR 111 N -3.30 2.96 -0.11 1.61 5.04 -0.92 -1.39 117.35 121.23 2x57 s TYR 111 Ca 0.58 1.09 -0.09 0.00 -2.44 0.00 0.00 57.07 56.21 2x57 s TYR 111 Cb -0.26 -3.83 0.03 0.00 0.35 0.00 0.00 41.96 38.24 2x57 s TYR 111 CO 0.72 -2.62 0.28 0.45 -1.34 0.00 0.00 175.55 173.04 2x57 s SER 112 N 0.16 -0.30 -0.34 4.32 0.15 -0.24 -4.95 113.70 112.50 2x57 s SER 112 Ca 0.57 0.58 0.01 0.00 0.70 0.00 0.00 55.95 57.81 2x57 s SER 112 Cb -0.42 0.57 0.14 0.00 -1.71 0.00 0.00 66.02 64.59 2x57 s SER 112 CO 0.47 -0.11 0.30 -0.62 1.20 0.00 0.00 173.24 174.48 2x57 s ASP 113 N 0.32 1.94 0.00 5.45 2.15 -1.26 -4.72 116.67 120.54 2x57 s ASP 113 Ca -0.01 -1.54 0.26 0.00 0.43 0.00 0.00 52.55 51.69 2x57 s ASP 113 Cb -0.03 0.23 0.52 0.00 -0.30 0.00 0.00 42.92 43.34 2x57 s ASP 113 CO -0.01 -0.32 1.45 -0.81 -0.17 0.00 0.00 175.17 175.31