#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x57 h VAL -12 N 0.00 1.75 -0.92 1.61 2.07 -2.07 0.55 116.25 119.24 2x57 h VAL -12 Ca 0.00 -2.31 0.12 0.00 0.82 0.00 0.00 66.70 65.33 2x57 h VAL -12 Cb 0.00 3.32 -0.07 0.00 -1.52 0.00 0.00 31.29 33.02 2x57 h VAL -12 CO 0.00 0.61 0.59 -0.78 0.02 0.00 0.00 177.57 178.01 2x57 h ASP -11 N -0.91 0.78 0.05 0.57 1.82 -2.05 -2.34 116.42 114.35 2x57 h ASP -11 Ca -0.01 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 2x57 h ASP -11 Cb 1.04 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.93 2x57 h ASP -11 CO 0.02 0.42 -0.98 0.18 -1.61 0.00 0.00 179.24 177.27 2x57 n LEU -10 N -4.57 0.92 -4.43 2.28 4.77 -1.25 -4.69 117.00 110.03 2x57 n LEU -10 Ca 0.17 -0.44 -0.37 0.00 -0.03 0.00 0.00 56.01 55.35 2x57 n LEU -10 Cb 0.39 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.50 2x57 n LEU -10 CO 0.29 0.23 -0.05 0.61 -1.33 0.00 0.00 177.39 177.15 2x57 n GLY -9 N 1.49 -1.78 0.21 -0.72 0.00 0.19 -4.73 105.19 99.86 2x57 n GLY -9 Ca 0.04 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 45.85 2x57 n GLY -9 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2x57 h THR -8 N -0.16 0.31 0.03 2.61 1.35 -1.87 -1.36 112.91 113.82 2x57 h THR -8 Ca -0.45 -1.26 -0.00 0.00 -0.55 0.00 0.00 66.41 64.15 2x57 h THR -8 Cb 1.37 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.79 2x57 h THR -8 CO 0.43 0.16 -0.02 -0.08 -0.25 0.00 0.00 175.52 175.77 2x57 h GLU -7 N 0.00 -0.04 -0.56 4.72 4.81 -1.92 0.12 114.58 121.72 2x57 h GLU -7 Ca -0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2x57 h GLU -7 Cb 0.98 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 2x57 h GLU -7 CO 0.02 0.12 0.34 -0.97 -0.73 0.00 0.00 179.01 177.79 2x57 h ASN -6 N -0.20 0.66 -0.75 1.04 -1.24 -1.80 -2.36 115.58 110.94 2x57 h ASN -6 Ca -0.00 -0.06 -0.02 0.00 0.71 0.00 0.00 56.30 56.93 2x57 h ASN -6 Cb 0.18 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 39.03 2x57 h ASN -6 CO 0.01 0.52 0.41 -0.07 -1.29 0.00 0.00 177.43 177.01 2x57 h LEU -5 N 0.75 0.95 -0.31 0.34 3.38 -1.00 0.22 115.31 119.63 2x57 h LEU -5 Ca 0.20 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2x57 h LEU -5 Cb -0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2x57 h LEU -5 CO -0.04 0.77 0.01 0.22 0.09 0.00 0.00 178.44 179.49 2x57 h TYR -4 N 1.06 0.59 -0.40 1.13 3.20 -0.62 -2.25 116.97 119.68 2x57 h TYR -4 Ca 0.27 -0.10 0.04 0.00 3.14 0.00 0.00 58.73 62.08 2x57 h TYR -4 Cb 0.03 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 2x57 h TYR -4 CO 0.01 0.66 0.17 0.35 -1.64 0.00 0.00 178.16 177.71 2x57 h PHE -3 N 0.35 0.31 -0.75 -3.82 3.57 -0.93 -2.68 116.94 113.00 2x57 h PHE -3 Ca 0.09 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 2x57 h PHE -3 Cb 0.42 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 2x57 h PHE -3 CO 0.03 0.14 0.32 1.96 -2.23 0.00 0.00 178.31 178.54 2x57 h GLN -2 N 0.35 1.10 -1.92 1.11 1.08 -0.40 -2.34 115.11 114.10 2x57 h GLN -2 Ca 0.18 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2x57 h GLN -2 Cb 0.12 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 2x57 h GLN -2 CO -0.15 0.87 0.00 -1.13 -0.95 0.00 0.00 178.83 177.47 2x57 n SER -1 N -4.30 1.82 0.00 1.46 3.41 -0.86 -4.59 113.62 110.56 2x57 n SER -1 Ca 0.07 -1.36 0.00 0.00 -0.26 0.00 0.00 58.87 57.32 2x57 n SER -1 Cb 0.17 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 2x57 n SER -1 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2x57 n ARG 26 N 1.59 0.00 0.01 4.33 1.74 -0.88 -4.72 116.66 118.73 2x57 n ARG 26 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 2x57 n ARG 26 Cb 0.19 -0.24 -0.09 0.00 -1.02 0.00 0.00 32.46 31.30 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 -0.04 -0.71 -1.55 0.04 -1.90 -0.59 116.94 112.20 2x57 h PHE 27 Ca 0.00 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.81 2x57 h PHE 27 Cb 0.00 0.01 -0.05 0.00 2.20 0.00 0.00 35.95 38.11 2x57 h PHE 27 CO 0.00 0.40 0.43 1.25 -0.60 0.00 0.00 178.31 179.79 2x57 h HIS 28 N -0.48 0.80 -0.56 -0.55 -0.00 -1.97 -0.68 115.15 111.72 2x57 h HIS 28 Ca -0.00 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.29 2x57 h HIS 28 Cb 0.45 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.58 2x57 h HIS 28 CO 0.08 0.44 -0.04 -0.07 -0.00 0.00 0.00 177.93 178.34 2x57 h LEU 29 N 0.83 0.99 -0.12 0.26 3.38 -1.92 -0.40 115.31 118.34 2x57 h LEU 29 Ca 0.29 -0.32 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 2x57 h LEU 29 Cb 0.07 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.56 2x57 h LEU 29 CO -0.13 1.08 -0.57 -0.33 0.09 0.00 0.00 178.44 178.58 2x57 h GLU 30 N 0.89 0.59 -0.44 1.13 5.08 -0.81 -1.90 114.58 119.12 2x57 h GLU 30 Ca 0.15 -0.48 -0.05 0.00 -1.00 0.00 0.00 59.36 57.98 2x57 h GLU 30 Cb 0.59 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2x57 h GLU 30 CO 0.04 1.10 0.07 0.82 -1.00 0.00 0.00 179.01 180.03 2x57 h ILE 31 N 0.22 1.25 -1.00 3.13 2.04 -1.11 -1.95 117.51 120.09 2x57 h ILE 31 Ca -0.04 -0.90 0.02 0.00 1.00 0.00 0.00 64.86 64.95 2x57 h ILE 31 Cb 1.21 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 2x57 h ILE 31 CO 0.12 0.31 0.66 -0.61 0.00 0.00 0.00 178.15 178.63 2x57 h GLN 32 N 0.58 1.27 -0.30 2.37 4.15 -1.10 0.26 115.11 122.34 2x57 h GLN 32 Ca 0.13 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.41 2x57 h GLN 32 Cb 0.39 -0.29 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 2x57 h GLN 32 CO 0.01 0.84 -0.10 1.49 -1.93 0.00 0.00 178.83 179.14 2x57 h GLU 33 N 1.30 0.49 -0.10 1.69 4.57 -1.06 -0.38 114.58 121.10 2x57 h GLU 33 Ca 0.38 -0.13 -0.19 0.00 -1.18 0.00 0.00 59.36 58.24 2x57 h GLU 33 Cb -0.07 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.46 2x57 h GLU 33 CO -0.10 0.59 -0.73 1.49 -1.18 0.00 0.00 179.01 179.08 2x57 h GLU 34 N 0.46 0.51 -0.67 1.92 4.57 -0.34 -1.43 114.58 119.60 2x57 h GLU 34 Ca 0.09 -0.41 -0.08 0.00 -1.18 0.00 0.00 59.36 57.78 2x57 h GLU 34 Cb 0.46 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 2x57 h GLU 34 CO 0.03 1.04 0.10 0.93 -1.18 0.00 0.00 179.01 179.92 2x57 h GLU 35 N 0.35 1.12 -0.31 1.92 5.08 -0.28 -0.75 114.58 121.72 2x57 h GLU 35 Ca -0.03 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 2x57 h GLU 35 Cb 1.31 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2x57 h GLU 35 CO 0.13 1.03 0.12 1.15 -1.00 0.00 0.00 179.01 180.44 2x57 h THR 36 N 1.05 1.19 -0.83 1.13 2.02 -0.93 0.81 112.91 117.34 2x57 h THR 36 Ca 0.20 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.82 2x57 h THR 36 Cb 0.46 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 2x57 h THR 36 CO 0.02 0.20 0.54 0.11 0.37 0.00 0.00 175.52 176.76 2x57 h LYS 37 N 0.35 1.10 0.06 6.66 1.57 -1.14 -0.55 116.57 124.61 2x57 h LYS 37 Ca 0.10 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2x57 h LYS 37 Cb 0.20 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2x57 h LYS 37 CO -0.01 0.73 -0.03 0.00 -0.57 0.00 0.00 179.45 179.58 2x57 h ALA 39 N 0.77 1.17 -0.42 0.00 0.00 -0.39 -1.16 119.26 119.22 2x57 h ALA 39 Ca -0.01 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2x57 h ALA 39 Cb 0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2x57 h ALA 39 CO 0.01 -0.10 -0.12 0.93 0.00 0.00 0.00 179.25 179.98 2x57 h GLU 40 N 0.59 0.83 -0.39 0.00 4.39 -0.72 -1.83 114.58 117.44 2x57 h GLU 40 Ca 0.43 -0.32 0.03 0.00 0.34 0.00 0.00 59.36 59.83 2x57 h GLU 40 Cb 0.58 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 2x57 h GLU 40 CO -0.35 0.95 0.20 1.25 -1.16 0.00 0.00 179.01 179.91 2x57 h LEU 41 N 0.65 0.31 -0.93 1.33 5.85 -0.33 -1.05 115.31 121.14 2x57 h LEU 41 Ca 0.11 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 2x57 h LEU 41 Cb 0.65 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2x57 h LEU 41 CO 0.04 0.22 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.98 2x57 h LEU 42 N 0.41 0.41 -0.39 2.25 3.38 -1.10 -2.46 115.31 117.80 2x57 h LEU 42 Ca 0.16 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2x57 h LEU 42 Cb 0.06 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2x57 h LEU 42 CO -0.10 0.71 0.04 -0.09 0.09 0.00 0.00 178.44 179.09 2x57 h ARG 43 N 0.35 0.66 0.00 1.13 9.65 -1.01 -2.84 114.38 122.32 2x57 h ARG 43 Ca 0.04 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.73 2x57 h ARG 43 Cb 0.74 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.24 2x57 h ARG 43 CO 0.06 0.73 -0.02 0.66 2.80 0.00 0.00 179.97 184.19 2x57 h SER 44 N 0.50 0.00 -0.54 -3.80 4.64 -0.83 -2.99 113.55 110.53 2x57 h SER 44 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2x57 h SER 44 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2x57 h SER 44 CO 0.01 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 2x57 n GLN 45 N -3.22 2.85 0.22 4.77 6.02 -0.96 -4.62 117.38 122.45 2x57 n GLN 45 Ca -0.02 -2.39 0.10 0.00 -0.01 0.00 0.00 57.00 54.68 2x57 n GLN 45 Cb 0.18 -1.45 0.46 0.00 1.02 0.00 0.00 30.24 30.45 2x57 n GLN 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2x57 h THR 46 N 3.16 0.54 0.10 5.09 1.03 -1.35 -3.00 112.91 118.49 2x57 h THR 46 Ca 0.00 -1.11 -0.00 0.00 -0.01 0.00 0.00 66.41 65.28 2x57 h THR 46 Cb 0.90 1.77 0.00 0.00 -1.07 0.00 0.00 68.15 69.75 2x57 h THR 46 CO 0.02 0.22 -0.05 -0.33 -0.01 0.00 0.00 175.52 175.36 2x57 h GLU 47 N 0.00 -0.13 -7.19 0.00 3.07 -1.84 -3.43 114.58 105.07 2x57 h GLU 47 Ca -0.00 0.01 -0.53 0.00 -0.50 0.00 0.00 59.36 58.34 2x57 h GLU 47 Cb 0.75 0.03 0.15 0.00 -0.84 0.00 0.00 28.75 28.83 2x57 h GLU 47 CO 0.03 0.06 0.38 0.15 -1.40 0.00 0.00 179.01 178.23 2x57 s LYS 48 N -5.50 2.23 -0.58 2.33 1.02 -1.13 -5.01 119.74 113.10 2x57 s LYS 48 Ca -0.14 1.66 0.04 0.00 0.02 0.00 0.00 55.97 57.55 2x57 s LYS 48 Cb 0.04 -1.85 0.17 0.00 -0.52 0.00 0.00 37.83 35.66 2x57 s LYS 48 CO 0.65 -1.74 0.42 -1.01 -0.92 0.00 0.00 175.35 172.75 2x57 s HIS 49 N -2.10 2.60 0.55 3.18 3.76 -1.26 -5.00 115.29 117.02 2x57 s HIS 49 Ca 0.72 -2.93 -0.17 0.00 -0.15 0.00 0.00 55.06 52.53 2x57 s HIS 49 Cb -0.27 -2.03 -0.06 0.00 1.11 0.00 0.00 32.58 31.33 2x57 s HIS 49 CO 0.45 -0.66 1.03 0.15 -0.85 0.00 0.00 174.74 174.86 2x57 s LYS 50 N -0.81 3.62 0.12 1.40 -0.14 -1.26 -4.99 119.74 117.68 2x57 s LYS 50 Ca 0.27 1.12 -0.22 0.00 -1.36 0.00 0.00 55.97 55.79 2x57 s LYS 50 Cb -0.03 -2.08 -0.05 0.00 -1.68 0.00 0.00 37.83 33.99 2x57 s LYS 50 CO -0.17 -0.56 1.69 0.00 -0.76 0.00 0.00 175.35 175.56 2x57 h ALA 51 N 0.75 0.01 -2.93 5.17 0.00 -1.94 -3.36 119.26 116.96 2x57 h ALA 51 Ca -0.47 0.05 -0.68 0.00 0.00 0.00 0.00 54.91 53.80 2x57 h ALA 51 Cb 1.21 0.19 -0.25 0.00 0.00 0.00 0.00 17.79 18.94 2x57 h ALA 51 CO 0.59 -0.54 -0.57 0.00 0.00 0.00 0.00 179.25 178.73 2x57 s SER 53 N 1.55 4.88 0.22 0.00 1.04 -1.26 -0.91 113.70 119.22 2x57 s SER 53 Ca 0.03 0.99 -0.31 0.00 0.48 0.00 0.00 55.95 57.14 2x57 s SER 53 Cb -0.18 -1.64 -0.11 0.00 0.10 0.00 0.00 66.02 64.20 2x57 s SER 53 CO 0.05 -1.69 1.59 -0.83 0.98 0.00 0.00 173.24 173.35 2x57 s GLY 54 N -4.40 1.72 0.11 7.32 0.00 -1.26 -4.61 107.32 106.19 2x57 s GLY 54 Ca 0.60 1.47 0.01 0.00 0.00 0.00 0.00 44.72 46.80 2x57 s GLY 54 CO 0.51 2.62 -0.04 -1.34 0.00 0.00 0.00 173.10 174.85 2x57 s VAL 55 N 0.69 0.56 -0.18 1.40 -7.23 -0.82 -4.97 120.40 109.85 2x57 s VAL 55 Ca 0.68 -1.92 -0.01 0.00 -1.81 0.00 0.00 61.98 58.91 2x57 s VAL 55 Cb -0.46 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 2x57 s VAL 55 CO 0.37 -0.78 -0.11 0.86 -0.31 0.00 0.00 175.10 175.14 2x57 s TRP 56 N -3.72 2.86 -0.15 2.82 -0.11 -1.26 -0.49 118.94 118.90 2x57 s TRP 56 Ca 0.15 -0.96 -0.24 0.00 1.22 0.00 0.00 56.10 56.27 2x57 s TRP 56 Cb 0.06 -1.97 0.06 0.00 -1.50 0.00 0.00 33.47 30.12 2x57 s TRP 56 CO -0.03 -0.47 0.60 0.34 -4.62 0.00 0.00 176.95 172.77 2x57 s ASP 57 N 1.01 -0.60 -1.49 5.86 2.15 -0.77 -4.90 116.67 117.93 2x57 s ASP 57 Ca -0.01 0.95 -0.08 0.00 0.43 0.00 0.00 52.55 53.84 2x57 s ASP 57 Cb -0.15 0.93 0.06 0.00 -0.30 0.00 0.00 42.92 43.46 2x57 s ASP 57 CO -0.02 -0.36 0.70 0.59 -0.17 0.00 0.00 175.17 175.91 2x57 n ASN 58 N 2.01 -2.32 -3.05 -0.34 5.03 -1.26 -1.94 115.26 113.39 2x57 n ASN 58 Ca -0.16 -0.92 -0.22 0.00 0.87 0.00 0.00 54.58 54.16 2x57 n ASN 58 Cb 0.56 -3.38 0.01 0.00 -1.02 0.00 0.00 39.78 35.95 2x57 n ASN 58 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2x57 n ILE 59 N -4.45 -1.44 -3.84 2.41 5.41 -1.26 -4.91 119.36 111.28 2x57 n ILE 59 Ca -0.13 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.50 2x57 n ILE 59 Cb 0.60 -2.68 -0.13 0.00 -0.71 0.00 0.00 39.64 36.72 2x57 n ILE 59 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2x57 s THR 60 N -3.02 0.01 0.01 1.39 2.01 -0.82 -4.88 115.64 110.33 2x57 s THR 60 Ca 0.29 -0.05 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 2x57 s THR 60 Cb -0.14 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 72.15 2x57 s THR 60 CO 0.36 -0.03 0.79 0.00 -0.69 0.00 0.00 174.62 175.05 2x57 s TRP 62 N 0.35 3.42 0.73 0.00 0.52 0.36 -5.02 118.94 119.31 2x57 s TRP 62 Ca 0.41 -2.20 -0.15 0.00 0.02 0.00 0.00 56.10 54.18 2x57 s TRP 62 Cb -0.20 -2.53 0.04 0.00 -1.15 0.00 0.00 33.47 29.63 2x57 s TRP 62 CO 0.23 -0.88 1.21 -0.98 0.02 0.00 0.00 176.95 176.55 2x57 s ARG 63 N 1.17 2.14 0.49 4.98 1.70 -1.26 -1.95 118.95 126.22 2x57 s ARG 63 Ca 0.01 1.76 -0.23 0.00 -0.47 0.00 0.00 55.73 56.80 2x57 s ARG 63 Cb -0.21 -1.83 -0.08 0.00 -0.57 0.00 0.00 34.95 32.26 2x57 s ARG 63 CO -0.03 -1.83 1.12 -2.30 -1.08 0.00 0.00 175.30 171.18 2x57 n PRO 64 N -2.71 1.44 -3.91 3.89 -0.02 -1.26 -4.67 135.00 127.76 2x57 n PRO 64 Ca 0.13 0.52 -0.09 0.00 -2.02 0.00 0.00 63.50 62.05 2x57 n PRO 64 Cb 0.50 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 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 -1.32 -0.48 0.26 3.55 0.00 -0.09 -4.96 121.76 118.72 2x57 s ALA 65 Ca 0.67 -0.65 0.09 0.00 0.00 0.00 0.00 51.96 52.08 2x57 s ALA 65 Cb -0.48 0.96 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 2x57 s ALA 65 CO 0.53 -0.82 0.02 -0.80 0.00 0.00 0.00 175.76 174.69 2x57 s ASN 66 N -2.96 4.67 0.25 0.00 0.01 -1.26 -0.95 114.94 114.70 2x57 s ASN 66 Ca 0.17 -0.60 -0.30 0.00 -0.71 0.00 0.00 52.86 51.42 2x57 s ASN 66 Cb -0.01 -0.91 -0.14 0.00 0.41 0.00 0.00 41.25 40.60 2x57 s ASN 66 CO 0.04 -0.00 1.22 0.52 -1.51 0.00 0.00 177.10 177.37 2x57 n VAL 67 N -0.93 1.40 0.00 1.60 0.31 -1.26 -1.40 118.33 118.05 2x57 n VAL 67 Ca -0.07 -0.35 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 2x57 n VAL 67 Cb 0.59 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 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 1.63 1.15 3.83 2.92 0.00 -0.21 -5.00 105.19 109.50 2x57 n GLY 68 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.62 4.17 -0.12 1.61 2.02 -0.49 -4.93 118.70 120.33 2x57 s GLU 69 Ca 0.00 1.00 0.03 0.00 0.02 0.00 0.00 54.97 56.01 2x57 s GLU 69 Cb 0.00 -2.25 0.01 0.00 0.10 0.00 0.00 34.13 31.99 2x57 s GLU 69 CO 0.00 0.02 -0.20 0.99 0.02 0.00 0.00 175.26 176.09 2x57 s THR 70 N -2.13 1.88 -0.20 3.63 2.01 -1.26 -1.10 115.64 118.48 2x57 s THR 70 Ca 0.60 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 61.63 2x57 s THR 70 Cb -0.09 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 2x57 s THR 70 CO 0.14 0.52 0.09 -0.69 -0.69 0.00 0.00 174.62 173.99 2x57 s VAL 71 N 0.77 4.90 -0.07 3.82 1.01 0.10 -4.97 120.40 125.96 2x57 s VAL 71 Ca -0.09 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2x57 s VAL 71 Cb -0.16 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.00 2x57 s VAL 71 CO 0.00 0.42 -0.13 -0.89 0.00 0.00 0.00 175.10 174.51 2x57 s THR 72 N 0.62 1.17 0.05 3.92 2.01 -1.26 -1.10 115.64 121.06 2x57 s THR 72 Ca 0.05 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 2x57 s THR 72 Cb -0.13 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 2x57 s THR 72 CO 0.01 0.36 -0.03 0.68 -0.69 0.00 0.00 174.62 174.95 2x57 s VAL 73 N 0.63 0.27 0.68 3.82 -7.23 0.07 -4.97 120.40 113.66 2x57 s VAL 73 Ca -0.14 -1.77 -0.14 0.00 -1.81 0.00 0.00 61.98 58.11 2x57 s VAL 73 Cb -0.16 -1.47 0.01 0.00 0.56 0.00 0.00 36.38 35.33 2x57 s VAL 73 CO 0.04 -0.96 1.12 -2.16 -0.31 0.00 0.00 175.10 172.83 2x57 s PRO 74 N -3.77 2.63 0.76 4.82 0.04 -1.26 -0.34 135.00 137.87 2x57 s PRO 74 Ca 0.06 1.42 -0.15 0.00 0.04 0.00 0.00 61.00 62.37 2x57 s PRO 74 Cb 0.07 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.72 2x57 s PRO 74 CO -0.09 -1.39 1.06 0.00 0.04 0.00 0.00 177.00 176.62 2x57 n PRO 76 N -2.43 2.39 -0.07 0.00 -0.02 -1.26 -4.76 135.00 128.85 2x57 n PRO 76 Ca 0.13 0.78 0.22 0.00 -2.02 0.00 0.00 63.50 62.61 2x57 n PRO 76 Cb 0.50 -3.11 0.67 0.00 -0.02 0.00 0.00 33.50 31.54 2x57 n PRO 76 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2x57 h LYS 77 N 12.82 0.05 -0.92 -0.52 6.56 -1.97 -2.23 116.57 130.36 2x57 h LYS 77 Ca -0.45 -0.00 0.23 0.00 -1.06 0.00 0.00 60.65 59.36 2x57 h LYS 77 Cb 1.24 -0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 32.83 2x57 h LYS 77 CO 0.95 0.03 0.62 -0.24 -2.06 0.00 0.00 179.45 178.76 2x57 h VAL 78 N 0.05 0.62 -0.86 0.50 3.04 -1.98 -0.34 116.25 117.29 2x57 h VAL 78 Ca 0.31 -0.10 -0.48 0.00 -1.01 0.00 0.00 66.70 65.42 2x57 h VAL 78 Cb 1.17 0.30 -0.27 0.00 -2.01 0.00 0.00 31.29 30.48 2x57 h VAL 78 CO -0.02 0.05 0.49 0.49 -1.01 0.00 0.00 177.57 177.58 2x57 n PHE 79 N -4.46 2.69 -0.36 3.17 3.72 -0.84 -4.72 117.46 116.66 2x57 n PHE 79 Ca 0.20 -2.03 0.06 0.00 -0.05 0.00 0.00 57.45 55.63 2x57 n PHE 79 Cb 0.79 -0.93 0.22 0.00 -0.94 0.00 0.00 39.48 38.62 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 1.22 0.96 0.72 4.37 0.02 -1.21 -1.28 113.55 118.34 2x57 h SER 80 Ca 0.54 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.53 2x57 h SER 80 Cb 2.22 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.60 2x57 h SER 80 CO 1.04 0.54 0.00 0.78 -1.14 0.00 0.00 176.83 178.05 2x57 h ASN 81 N 1.05 0.00 -0.31 3.07 2.35 -1.85 -2.00 115.58 117.89 2x57 h ASN 81 Ca 0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 2x57 h ASN 81 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2x57 h ASN 81 CO -0.24 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.03 2x57 n PHE 82 N -2.74 0.39 -3.49 1.19 3.72 -0.49 -4.94 117.46 111.09 2x57 n PHE 82 Ca 0.00 -0.19 -0.35 0.00 -0.05 0.00 0.00 57.45 56.86 2x57 n PHE 82 Cb 0.23 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.71 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 -1.61 3.62 -2.33 1.38 2.02 -0.75 -2.41 117.35 117.26 2x57 s TYR 83 Ca 0.37 0.91 0.20 0.00 -0.37 0.00 0.00 57.07 58.18 2x57 s TYR 83 Cb 0.22 -2.25 0.11 0.00 -0.40 0.00 0.00 41.96 39.64 2x57 s TYR 83 CO 0.31 0.51 1.10 -1.13 -1.57 0.00 0.00 175.55 174.77 2x57 n SER 84 N 1.03 2.45 -3.95 2.29 3.41 -0.43 -4.98 113.62 113.42 2x57 n SER 84 Ca -0.08 -1.72 -0.09 0.00 -0.26 0.00 0.00 58.87 56.72 2x57 n SER 84 Cb 0.52 0.15 -0.08 0.00 -0.26 0.00 0.00 64.21 64.54 2x57 n SER 84 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2x57 s LYS 85 N -1.87 0.93 -0.56 4.33 2.20 -1.26 -5.03 119.74 118.49 2x57 s LYS 85 Ca 0.22 -1.12 -0.20 0.00 -0.36 0.00 0.00 55.97 54.50 2x57 s LYS 85 Cb 0.17 0.33 0.07 0.00 -1.51 0.00 0.00 37.83 36.88 2x57 s LYS 85 CO 0.33 -0.30 0.73 0.00 -0.36 0.00 0.00 175.35 175.75 2x57 s ALA 86 N -3.93 3.33 0.06 3.13 0.00 -1.26 -4.85 121.76 118.24 2x57 s ALA 86 Ca 0.12 -1.83 0.08 0.00 0.00 0.00 0.00 51.96 50.32 2x57 s ALA 86 Cb 0.05 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2x57 s ALA 86 CO -0.06 -2.25 -0.18 0.20 0.00 0.00 0.00 175.76 173.47 2x57 s GLY 87 N 3.10 1.60 0.13 0.00 0.00 -1.26 -5.04 107.32 105.84 2x57 s GLY 87 Ca 0.17 -1.23 0.10 0.00 0.00 0.00 0.00 44.72 43.76 2x57 s GLY 87 CO 0.11 -1.14 -0.25 -1.31 0.00 0.00 0.00 173.10 170.50 2x57 s ASN 88 N -1.61 3.13 0.19 1.64 0.01 -1.26 -0.53 114.94 116.51 2x57 s ASN 88 Ca 0.15 -0.74 0.10 0.00 -0.71 0.00 0.00 52.86 51.67 2x57 s ASN 88 Cb -0.10 -0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.31 2x57 s ASN 88 CO 0.06 0.14 -0.21 0.27 -1.51 0.00 0.00 177.10 175.85 2x57 s ILE 89 N -1.13 2.16 0.04 0.60 -4.36 0.53 -4.62 121.20 114.42 2x57 s ILE 89 Ca 0.13 -2.03 -0.04 0.00 -0.26 0.00 0.00 60.65 58.45 2x57 s ILE 89 Cb -0.10 -2.04 -0.02 0.00 1.25 0.00 0.00 42.46 41.56 2x57 s ILE 89 CO 0.06 -0.22 0.06 -0.44 0.24 0.00 0.00 174.94 174.63 2x57 s SER 90 N -2.75 0.23 0.04 4.36 0.01 -0.72 -0.75 113.70 114.12 2x57 s SER 90 Ca 0.20 -0.59 0.02 0.00 1.31 0.00 0.00 55.95 56.88 2x57 s SER 90 Cb -0.07 0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.34 2x57 s SER 90 CO 0.09 -0.49 -0.07 -0.54 0.41 0.00 0.00 173.24 172.64 2x57 s LYS 91 N -2.60 0.54 -0.11 12.44 1.02 -0.26 -0.63 119.74 130.15 2x57 s LYS 91 Ca -0.05 -0.79 -0.06 0.00 0.02 0.00 0.00 55.97 55.09 2x57 s LYS 91 Cb -0.01 -0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 36.99 2x57 s LYS 91 CO -0.05 0.04 0.11 -0.80 -0.92 0.00 0.00 175.35 173.74 2x57 s ASN 92 N -1.68 6.15 -0.31 2.83 0.01 -1.26 -0.73 114.94 119.95 2x57 s ASN 92 Ca -0.09 0.40 -0.18 0.00 -0.71 0.00 0.00 52.86 52.28 2x57 s ASN 92 Cb -0.09 -1.94 -0.01 0.00 0.41 0.00 0.00 41.25 39.62 2x57 s ASN 92 CO -0.00 0.40 0.52 0.00 -1.51 0.00 0.00 177.10 176.50 2x57 s THR 94 N 2.38 1.33 -0.08 0.00 -4.23 0.62 -1.05 115.64 114.62 2x57 s THR 94 Ca 0.20 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.00 2x57 s THR 94 Cb -0.15 -2.32 0.31 0.00 1.34 0.00 0.00 72.50 71.67 2x57 s THR 94 CO 0.12 0.00 1.88 0.77 -0.54 0.00 0.00 174.62 176.85 2x57 h SER 95 N 1.43 0.00 0.19 3.99 4.64 -1.97 0.15 113.55 121.98 2x57 h SER 95 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2x57 h SER 95 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2x57 h SER 95 CO 0.76 0.00 -0.29 0.47 -0.87 0.00 0.00 176.83 176.89 2x57 n ASP 96 N -2.59 1.21 0.00 4.97 8.00 -1.26 -5.07 116.55 121.81 2x57 n ASP 96 Ca 0.00 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.49 2x57 n ASP 96 Cb 0.18 0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 2x57 n ASP 96 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2x57 n GLY 97 N 1.35 -0.36 3.75 0.44 0.00 0.54 -5.00 105.19 105.91 2x57 n GLY 97 Ca 0.12 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 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 0.00 3.35 0.83 1.61 0.52 -1.26 -0.27 118.94 123.71 2x57 s TRP 98 Ca 0.00 1.43 -0.12 0.00 0.02 0.00 0.00 56.10 57.43 2x57 s TRP 98 Cb 0.00 -3.48 0.09 0.00 -1.15 0.00 0.00 33.47 28.92 2x57 s TRP 98 CO 0.00 -1.34 1.14 -1.54 0.02 0.00 0.00 176.95 175.23 2x57 s SER 99 N -0.15 4.31 0.81 2.95 1.04 0.32 -4.93 113.70 118.06 2x57 s SER 99 Ca 0.51 0.99 -0.12 0.00 0.48 0.00 0.00 55.95 57.81 2x57 s SER 99 Cb -0.35 -1.60 0.09 0.00 0.10 0.00 0.00 66.02 64.26 2x57 s SER 99 CO 0.41 -2.05 1.16 -1.83 0.98 0.00 0.00 173.24 171.91 2x57 s GLU 100 N -5.37 1.70 0.28 4.02 1.03 -1.26 -4.70 118.70 114.40 2x57 s GLU 100 Ca 0.62 1.55 -0.29 0.00 0.03 0.00 0.00 54.97 56.88 2x57 s GLU 100 Cb -0.13 -1.80 -0.10 0.00 -0.80 0.00 0.00 34.13 31.30 2x57 s GLU 100 CO 0.52 -2.13 1.21 0.99 -1.33 0.00 0.00 175.26 174.52 2x57 s THR 101 N -2.45 3.17 -0.00 1.83 2.01 -1.26 -4.66 115.64 114.28 2x57 s THR 101 Ca 0.68 1.13 0.00 0.00 0.31 0.00 0.00 61.69 63.81 2x57 s THR 101 Cb -0.24 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.55 2x57 s THR 101 CO 0.52 0.25 -0.00 0.72 -0.69 0.00 0.00 174.62 175.42 2x57 s PHE 102 N -0.89 0.02 1.07 4.92 -0.71 0.20 -3.77 117.98 118.83 2x57 s PHE 102 Ca 0.48 0.00 -0.13 0.00 -1.04 0.00 0.00 56.93 56.25 2x57 s PHE 102 Cb -0.35 -0.03 0.23 0.00 -1.21 0.00 0.00 43.02 41.66 2x57 s PHE 102 CO 0.45 -0.01 1.07 -2.14 -1.34 0.00 0.00 175.22 173.25 2x57 s PRO 103 N 0.06 -0.18 0.76 1.99 0.02 -1.26 -1.75 135.00 134.64 2x57 s PRO 103 Ca -0.00 0.59 -0.15 0.00 0.02 0.00 0.00 61.00 61.46 2x57 s PRO 103 Cb -0.01 -1.66 0.04 0.00 0.02 0.00 0.00 34.50 32.89 2x57 s PRO 103 CO -0.00 -3.16 1.06 -0.40 -0.33 0.00 0.00 177.00 174.16 2x57 n ASP 104 N -4.49 0.69 -0.18 2.53 5.75 -1.25 -4.43 116.55 115.18 2x57 n ASP 104 Ca 0.04 0.63 -0.02 0.00 -0.01 0.00 0.00 54.79 55.43 2x57 n ASP 104 Cb 0.56 -1.45 0.05 0.00 -1.03 0.00 0.00 41.12 39.25 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 -0.50 -0.26 -0.59 2.11 3.57 -1.97 0.29 116.94 119.59 2x57 h PHE 105 Ca -0.47 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2x57 h PHE 105 Cb 1.32 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 40.23 2x57 h PHE 105 CO 0.42 -0.22 0.37 0.28 -2.23 0.00 0.00 178.31 176.93 2x57 h VAL 106 N 0.01 1.17 0.16 1.41 2.07 -1.91 -2.11 116.25 117.04 2x57 h VAL 106 Ca 0.26 -0.35 -0.30 0.00 0.82 0.00 0.00 66.70 67.13 2x57 h VAL 106 Cb 0.40 0.33 0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2x57 h VAL 106 CO -0.55 0.17 -1.31 0.44 0.02 0.00 0.00 177.57 176.34 2x57 h ASP 107 N 0.80 0.74 -0.38 0.57 3.32 -1.74 -2.04 116.42 117.70 2x57 h ASP 107 Ca 0.21 -0.74 -0.10 0.00 0.02 0.00 0.00 57.03 56.43 2x57 h ASP 107 Cb -0.05 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 2x57 h ASP 107 CO -0.04 1.56 -0.10 0.00 -1.72 0.00 0.00 179.24 178.93 2x57 h ALA 108 N 0.34 0.96 0.00 3.45 0.00 -0.38 -3.13 119.26 120.50 2x57 h ALA 108 Ca -0.19 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2x57 h ALA 108 Cb 1.99 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2x57 h ALA 108 CO 0.24 0.61 -1.04 0.00 0.00 0.00 0.00 179.25 179.07 2x57 n GLY 110 N 1.42 -0.30 3.74 0.00 0.00 -0.92 -3.89 105.19 105.24 2x57 n GLY 110 Ca 0.03 0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.27 3.84 0.21 1.61 5.04 -0.81 -1.32 117.35 122.65 2x57 s TYR 111 Ca 0.49 1.77 -0.17 0.00 -2.44 0.00 0.00 57.07 56.71 2x57 s TYR 111 Cb -0.21 -2.99 0.02 0.00 0.35 0.00 0.00 41.96 39.13 2x57 s TYR 111 CO 0.61 0.28 0.54 -1.54 -1.34 0.00 0.00 175.55 174.09 2x57 s SER 112 N -0.27 -0.24 -0.05 4.32 1.04 -1.01 -4.90 113.70 112.58 2x57 s SER 112 Ca 0.44 -0.54 -0.12 0.00 0.48 0.00 0.00 55.95 56.21 2x57 s SER 112 Cb -0.23 0.59 -0.05 0.00 0.10 0.00 0.00 66.02 66.43 2x57 s SER 112 CO 0.29 -1.09 0.31 1.51 0.98 0.00 0.00 173.24 175.24 2x57 s ASP 113 N -2.89 6.64 0.00 7.02 -4.77 -1.26 -4.74 116.67 116.67 2x57 s ASP 113 Ca 0.11 0.77 0.26 0.00 -3.30 0.00 0.00 52.55 50.38 2x57 s ASP 113 Cb -0.01 -2.18 0.63 0.00 -1.09 0.00 0.00 42.92 40.26 2x57 s ASP 113 CO -0.01 0.34 1.51 -0.81 0.70 0.00 0.00 175.17 176.90