#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 0.54 -0.49 1.61 2.07 -2.07 0.87 116.25 118.77 2x57 h VAL -12 Ca 0.00 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.36 2x57 h VAL -12 Cb 0.00 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.66 2x57 h VAL -12 CO 0.00 0.10 0.27 0.44 0.02 0.00 0.00 177.57 178.41 2x57 h ASP -11 N 0.56 0.42 0.02 0.57 3.32 -2.05 -2.84 116.42 116.43 2x57 h ASP -11 Ca 0.64 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.70 2x57 h ASP -11 Cb 1.26 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2x57 h ASP -11 CO -0.45 0.30 -0.01 0.18 -1.72 0.00 0.00 179.24 177.54 2x57 n LEU -10 N -4.84 0.63 -4.75 1.55 4.77 0.26 -4.24 117.00 110.37 2x57 n LEU -10 Ca 0.04 -0.20 -0.39 0.00 -0.03 0.00 0.00 56.01 55.42 2x57 n LEU -10 Cb 0.10 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2x57 n LEU -10 CO 0.31 0.11 1.03 0.61 -1.33 0.00 0.00 177.39 178.11 2x57 n GLY -9 N 1.09 0.89 0.19 -0.72 0.00 0.10 -4.81 105.19 101.93 2x57 n GLY -9 Ca 0.21 0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.40 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 1.87 0.84 -0.39 2.61 1.35 -1.89 -0.53 112.91 116.76 2x57 h THR -8 Ca -0.51 -1.55 -0.06 0.00 -0.55 0.00 0.00 66.41 63.74 2x57 h THR -8 Cb 1.29 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 69.66 2x57 h THR -8 CO 0.59 0.36 0.01 -0.08 -0.25 0.00 0.00 175.52 176.15 2x57 h GLU -7 N 0.00 0.68 -0.37 4.72 4.81 -1.94 0.17 114.58 122.66 2x57 h GLU -7 Ca -0.00 -0.21 -0.13 0.00 -0.13 0.00 0.00 59.36 58.88 2x57 h GLU -7 Cb 0.93 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 2x57 h GLU -7 CO 0.05 0.77 -0.30 -0.97 -0.73 0.00 0.00 179.01 177.83 2x57 h ASN -6 N 0.51 0.83 -0.75 1.04 -1.24 -1.78 -1.96 115.58 112.22 2x57 h ASN -6 Ca 0.11 -0.33 -0.01 0.00 0.71 0.00 0.00 56.30 56.78 2x57 h ASN -6 Cb 0.45 -0.23 -0.04 0.00 0.73 0.00 0.00 38.32 39.24 2x57 h ASN -6 CO 0.02 1.06 0.44 -0.07 -1.29 0.00 0.00 177.43 177.59 2x57 h LEU -5 N 0.67 0.91 0.06 0.34 3.38 -0.85 -0.06 115.31 119.76 2x57 h LEU -5 Ca 0.08 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2x57 h LEU -5 Cb 0.84 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2x57 h LEU -5 CO 0.07 0.71 -0.20 0.22 0.09 0.00 0.00 178.44 179.33 2x57 h TYR -4 N 1.02 -0.53 -0.48 1.13 3.20 -0.73 -2.40 116.97 118.18 2x57 h TYR -4 Ca 0.27 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.18 2x57 h TYR -4 Cb -0.02 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 2x57 h TYR -4 CO -0.01 -0.29 0.28 0.35 -1.64 0.00 0.00 178.16 176.85 2x57 h PHE -3 N -0.35 0.52 -0.62 -3.82 3.57 -0.97 -2.99 116.94 112.27 2x57 h PHE -3 Ca 0.04 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 2x57 h PHE -3 Cb 0.40 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2x57 h PHE -3 CO -0.22 0.29 0.16 1.96 -2.23 0.00 0.00 178.31 178.27 2x57 h GLN -2 N 0.56 0.97 -1.85 1.11 1.08 -0.84 -2.42 115.11 113.72 2x57 h GLN -2 Ca 0.20 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2x57 h GLN -2 Cb 0.04 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 2x57 h GLN -2 CO -0.10 0.86 0.00 0.43 -0.95 0.00 0.00 178.83 179.06 2x57 n SER -1 N -4.26 2.22 0.00 1.46 7.64 -0.92 -4.60 113.62 115.16 2x57 n SER -1 Ca 0.05 -1.45 0.00 0.00 1.01 0.00 0.00 58.87 58.48 2x57 n SER -1 Cb 0.23 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 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 1.44 0.00 -0.17 1.43 1.74 -0.92 -4.79 116.66 115.39 2x57 n ARG 26 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 2x57 n ARG 26 Cb 0.24 -0.01 0.02 0.00 -1.02 0.00 0.00 32.46 31.69 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 0.64 -0.69 -1.55 0.04 -1.90 -1.39 116.94 112.09 2x57 h PHE 27 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2x57 h PHE 27 Cb 0.00 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 37.90 2x57 h PHE 27 CO 0.00 0.41 0.44 1.25 -0.60 0.00 0.00 178.31 179.82 2x57 h HIS 28 N 0.69 0.88 -0.67 -0.55 -0.00 -1.96 0.28 115.15 113.82 2x57 h HIS 28 Ca 0.19 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.49 2x57 h HIS 28 Cb -0.07 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.02 2x57 h HIS 28 CO -0.04 0.57 0.09 -0.07 -0.00 0.00 0.00 177.93 178.48 2x57 h LEU 29 N 0.94 1.07 -0.31 0.26 3.38 -1.90 -1.26 115.31 117.50 2x57 h LEU 29 Ca 0.25 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2x57 h LEU 29 Cb -0.08 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 2x57 h LEU 29 CO -0.05 1.07 -0.21 -0.33 0.09 0.00 0.00 178.44 179.01 2x57 h GLU 30 N 1.04 0.68 -0.51 1.13 5.08 -0.67 -2.14 114.58 119.20 2x57 h GLU 30 Ca 0.20 -0.32 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 2x57 h GLU 30 Cb 0.47 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2x57 h GLU 30 CO 0.02 0.93 -0.02 0.82 -1.00 0.00 0.00 179.01 179.75 2x57 h ILE 31 N 0.44 1.27 -0.82 3.13 2.04 -0.91 -1.84 117.51 120.80 2x57 h ILE 31 Ca 0.06 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 2x57 h ILE 31 Cb 0.76 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 2x57 h ILE 31 CO 0.06 0.39 0.48 -0.61 0.00 0.00 0.00 178.15 178.47 2x57 h GLN 32 N 0.77 1.13 -0.48 2.37 4.15 -1.16 0.23 115.11 122.12 2x57 h GLN 32 Ca 0.14 -0.12 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 2x57 h GLN 32 Cb 0.55 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 2x57 h GLN 32 CO 0.03 0.81 -0.00 1.49 -1.93 0.00 0.00 178.83 179.23 2x57 h GLU 33 N 1.14 0.80 -0.42 1.69 4.81 -1.21 -0.06 114.58 121.32 2x57 h GLU 33 Ca 0.29 -0.22 -0.14 0.00 -0.13 0.00 0.00 59.36 59.17 2x57 h GLU 33 Cb -0.01 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2x57 h GLU 33 CO -0.05 0.80 -0.27 1.49 -0.73 0.00 0.00 179.01 180.25 2x57 h GLU 34 N 0.74 0.90 -0.61 1.92 4.57 -0.58 -0.66 114.58 120.86 2x57 h GLU 34 Ca 0.14 -0.41 -0.06 0.00 -1.18 0.00 0.00 59.36 57.85 2x57 h GLU 34 Cb 0.45 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 2x57 h GLU 34 CO 0.02 1.06 0.13 0.93 -1.18 0.00 0.00 179.01 179.97 2x57 h GLU 35 N 0.77 0.97 -0.42 1.92 5.08 -0.81 -0.97 114.58 121.11 2x57 h GLU 35 Ca 0.09 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 2x57 h GLU 35 Cb 0.84 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 2x57 h GLU 35 CO 0.07 0.88 0.01 1.15 -1.00 0.00 0.00 179.01 180.12 2x57 h THR 36 N 0.92 1.26 -0.61 1.13 2.02 -0.75 0.18 112.91 117.06 2x57 h THR 36 Ca 0.19 -1.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.32 2x57 h THR 36 Cb 0.36 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 2x57 h THR 36 CO 0.00 0.34 0.17 0.11 0.37 0.00 0.00 175.52 176.51 2x57 h LYS 37 N 0.58 0.93 -0.17 6.66 1.57 -0.94 -1.34 116.57 123.86 2x57 h LYS 37 Ca 0.12 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2x57 h LYS 37 Cb 0.47 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2x57 h LYS 37 CO 0.02 0.82 0.07 0.00 -0.57 0.00 0.00 179.45 179.79 2x57 h ALA 39 N 0.92 1.10 -0.50 0.00 0.00 -0.39 -0.60 119.26 119.80 2x57 h ALA 39 Ca 0.06 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2x57 h ALA 39 Cb 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2x57 h ALA 39 CO -0.01 0.29 -0.10 0.93 0.00 0.00 0.00 179.25 180.36 2x57 h GLU 40 N 0.96 0.91 -0.14 0.00 4.39 -0.92 -1.56 114.58 118.23 2x57 h GLU 40 Ca 0.34 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2x57 h GLU 40 Cb 0.10 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2x57 h GLU 40 CO -0.15 0.97 0.06 1.25 -1.16 0.00 0.00 179.01 179.98 2x57 h LEU 41 N 0.82 0.18 -0.85 1.33 5.85 -0.10 -2.01 115.31 120.52 2x57 h LEU 41 Ca 0.13 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 2x57 h LEU 41 Cb 0.63 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 2x57 h LEU 41 CO 0.04 0.28 0.44 -0.07 -0.34 0.00 0.00 178.44 178.79 2x57 h LEU 42 N 0.07 1.10 -0.79 2.25 3.38 -1.01 -2.76 115.31 117.55 2x57 h LEU 42 Ca 0.05 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2x57 h LEU 42 Cb 0.15 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2x57 h LEU 42 CO -0.00 0.91 0.29 -0.09 0.09 0.00 0.00 178.44 179.63 2x57 h ARG 43 N 1.21 1.19 0.00 1.13 9.65 -1.10 -2.56 114.38 123.89 2x57 h ARG 43 Ca 0.30 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 2x57 h ARG 43 Cb 0.08 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 28.48 2x57 h ARG 43 CO -0.04 0.98 0.00 -1.13 2.80 0.00 0.00 179.97 182.57 2x57 n SER 44 N -4.26 0.00 -0.25 -3.80 3.41 -0.77 -2.92 113.62 105.02 2x57 n SER 44 Ca 0.07 0.47 0.03 0.00 -0.26 0.00 0.00 58.87 59.18 2x57 n SER 44 Cb 0.20 -0.49 0.03 0.00 -0.26 0.00 0.00 64.21 63.70 2x57 n SER 44 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2x57 n GLN 45 N -1.49 0.26 0.00 4.33 7.27 -0.99 -4.79 117.38 121.97 2x57 n GLN 45 Ca 0.04 -0.98 0.06 0.00 0.07 0.00 0.00 57.00 56.19 2x57 n GLN 45 Cb 0.19 -1.12 0.29 0.00 2.41 0.00 0.00 30.24 32.01 2x57 n GLN 45 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2x57 n THR 46 N 0.28 1.00 -0.67 1.69 -2.24 -1.09 -2.48 114.28 110.77 2x57 n THR 46 Ca 0.04 0.25 0.04 0.00 -2.27 0.00 0.00 64.05 62.10 2x57 n THR 46 Cb 0.17 -1.03 0.34 0.00 -2.10 0.00 0.00 70.33 67.71 2x57 n THR 46 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2x57 n GLU 47 N -1.44 4.19 -0.08 -0.78 1.02 -1.26 -4.32 120.64 117.97 2x57 n GLU 47 Ca 0.04 -2.73 -0.09 0.00 -0.02 0.00 0.00 57.16 54.36 2x57 n GLU 47 Cb 0.14 -2.16 -0.10 0.00 -0.02 0.00 0.00 31.44 29.30 2x57 n GLU 47 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2x57 n LYS 48 N 0.41 1.23 -3.27 3.49 4.01 -1.04 -5.07 118.16 117.92 2x57 n LYS 48 Ca 0.27 0.03 -0.15 0.00 -0.51 0.00 0.00 58.31 57.95 2x57 n LYS 48 Cb 1.12 -1.36 0.08 0.00 -0.51 0.00 0.00 35.03 34.36 2x57 n LYS 48 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2x57 n HIS 49 N -2.71 -1.97 -1.52 2.13 8.25 -1.26 -5.00 115.22 113.13 2x57 n HIS 49 Ca -0.26 0.83 -0.31 0.00 -0.26 0.00 0.00 57.72 57.72 2x57 n HIS 49 Cb 0.91 -4.71 0.07 0.00 1.12 0.00 0.00 29.99 27.38 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 -5.26 2.63 0.16 -0.41 1.02 -1.26 -4.96 119.74 111.66 2x57 s LYS 50 Ca 0.03 0.90 -0.19 0.00 0.02 0.00 0.00 55.97 56.73 2x57 s LYS 50 Cb -0.01 -1.96 0.07 0.00 -0.52 0.00 0.00 37.83 35.40 2x57 s LYS 50 CO 0.64 -1.30 1.65 0.00 -0.92 0.00 0.00 175.35 175.42 2x57 h ALA 51 N -0.86 0.09 -3.14 5.17 0.00 -1.91 -3.34 119.26 115.27 2x57 h ALA 51 Ca -0.45 0.12 -0.70 0.00 0.00 0.00 0.00 54.91 53.89 2x57 h ALA 51 Cb 1.23 0.40 -0.31 0.00 0.00 0.00 0.00 17.79 19.11 2x57 h ALA 51 CO 0.57 -0.55 -0.58 0.00 0.00 0.00 0.00 179.25 178.69 2x57 s SER 53 N 1.64 4.51 0.38 0.00 1.04 -1.25 -0.89 113.70 119.13 2x57 s SER 53 Ca 0.01 1.24 -0.28 0.00 0.48 0.00 0.00 55.95 57.40 2x57 s SER 53 Cb -0.21 -1.96 -0.10 0.00 0.10 0.00 0.00 66.02 63.84 2x57 s SER 53 CO 0.00 -1.95 1.44 -0.83 0.98 0.00 0.00 173.24 172.89 2x57 s GLY 54 N -3.99 2.95 0.07 7.32 0.00 -1.26 -4.69 107.32 107.72 2x57 s GLY 54 Ca 0.61 1.50 0.00 0.00 0.00 0.00 0.00 44.72 46.83 2x57 s GLY 54 CO 0.54 2.17 -0.05 -1.34 0.00 0.00 0.00 173.10 174.42 2x57 s VAL 55 N -1.14 0.42 -0.21 1.40 -7.23 -0.98 -4.96 120.40 107.69 2x57 s VAL 55 Ca 0.53 -1.84 -0.03 0.00 -1.81 0.00 0.00 61.98 58.84 2x57 s VAL 55 Cb -0.45 -1.56 -0.00 0.00 0.56 0.00 0.00 36.38 34.93 2x57 s VAL 55 CO 0.60 -0.93 -0.08 0.86 -0.31 0.00 0.00 175.10 175.23 2x57 s TRP 56 N -3.73 2.91 -0.09 2.82 -0.11 -1.26 -0.78 118.94 118.70 2x57 s TRP 56 Ca 0.09 -1.11 -0.17 0.00 1.22 0.00 0.00 56.10 56.12 2x57 s TRP 56 Cb 0.06 -2.05 0.04 0.00 -1.50 0.00 0.00 33.47 30.02 2x57 s TRP 56 CO -0.08 -0.61 0.42 0.34 -4.62 0.00 0.00 176.95 172.41 2x57 s ASP 57 N 1.41 -0.38 -1.45 5.86 2.15 -0.57 -4.90 116.67 118.79 2x57 s ASP 57 Ca 0.05 0.54 -0.07 0.00 0.43 0.00 0.00 52.55 53.51 2x57 s ASP 57 Cb -0.14 0.61 0.05 0.00 -0.30 0.00 0.00 42.92 43.14 2x57 s ASP 57 CO -0.06 -0.33 0.72 0.59 -0.17 0.00 0.00 175.17 175.92 2x57 n ASN 58 N 1.95 -2.28 -3.91 -0.34 5.03 -1.26 -1.81 115.26 112.64 2x57 n ASN 58 Ca -0.17 -0.88 -0.31 0.00 0.87 0.00 0.00 54.58 54.08 2x57 n ASN 58 Cb 0.57 -3.57 0.01 0.00 -1.02 0.00 0.00 39.78 35.76 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 -4.44 -1.54 -3.81 2.41 2.08 -1.26 -4.88 119.36 107.92 2x57 n ILE 59 Ca -0.15 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.03 2x57 n ILE 59 Cb 0.61 -2.33 -0.11 0.00 -0.75 0.00 0.00 39.64 37.05 2x57 n ILE 59 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 2x57 s THR 60 N -3.23 0.02 -0.05 1.39 2.01 -0.75 -4.82 115.64 110.21 2x57 s THR 60 Ca 0.65 -0.16 -0.20 0.00 0.31 0.00 0.00 61.69 62.29 2x57 s THR 60 Cb -0.34 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.78 2x57 s THR 60 CO 0.80 -0.09 0.55 0.00 -0.69 0.00 0.00 174.62 175.19 2x57 s TRP 62 N 0.17 3.43 0.71 0.00 0.52 0.04 -5.01 118.94 118.80 2x57 s TRP 62 Ca 0.30 -2.43 -0.16 0.00 0.02 0.00 0.00 56.10 53.83 2x57 s TRP 62 Cb -0.17 -2.35 0.01 0.00 -1.15 0.00 0.00 33.47 29.81 2x57 s TRP 62 CO 0.15 -0.89 1.09 2.89 0.02 0.00 0.00 176.95 180.21 2x57 n ARG 63 N 4.44 0.62 -1.47 4.98 1.85 -1.26 -2.33 116.66 123.48 2x57 n ARG 63 Ca -0.08 0.27 -0.36 0.00 -1.00 0.00 0.00 57.85 56.68 2x57 n ARG 63 Cb 0.42 -2.34 0.09 0.00 -1.05 0.00 0.00 32.46 29.58 2x57 n ARG 63 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2x57 n PRO 64 N -2.10 0.71 -3.56 2.89 -0.02 -1.26 -4.69 135.00 126.97 2x57 n PRO 64 Ca 0.14 0.31 -0.11 0.00 -2.02 0.00 0.00 63.50 61.82 2x57 n PRO 64 Cb 0.49 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.69 -1.25 0.25 3.55 0.00 -0.07 -4.96 121.76 117.59 2x57 s ALA 65 Ca 0.78 0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.98 2x57 s ALA 65 Cb -0.35 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 2x57 s ALA 65 CO 0.46 -0.74 0.07 -0.80 0.00 0.00 0.00 175.76 174.74 2x57 s ASN 66 N -2.80 4.92 0.26 0.00 0.01 -1.26 -1.15 114.94 114.92 2x57 s ASN 66 Ca 0.03 -0.47 -0.29 0.00 -0.71 0.00 0.00 52.86 51.42 2x57 s ASN 66 Cb -0.00 -1.07 -0.14 0.00 0.41 0.00 0.00 41.25 40.45 2x57 s ASN 66 CO -0.10 0.00 1.07 1.33 -1.51 0.00 0.00 177.10 177.89 2x57 n VAL 67 N -0.88 1.69 0.00 1.60 0.24 -1.26 -1.68 118.33 118.04 2x57 n VAL 67 Ca -0.07 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 2x57 n VAL 67 Cb 0.58 -1.01 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 2x57 n VAL 67 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2x57 n GLY 68 N 1.45 1.78 3.82 7.63 0.00 -0.19 -4.99 105.19 114.68 2x57 n GLY 68 Ca 0.11 0.00 -0.34 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 -0.49 4.25 -0.14 1.61 2.02 -0.68 -4.91 118.70 120.37 2x57 s GLU 69 Ca 0.00 1.06 0.02 0.00 0.02 0.00 0.00 54.97 56.07 2x57 s GLU 69 Cb 0.00 -2.37 0.01 0.00 0.10 0.00 0.00 34.13 31.87 2x57 s GLU 69 CO 0.00 0.08 -0.20 0.99 0.02 0.00 0.00 175.26 176.15 2x57 s THR 70 N -2.01 1.90 -0.21 3.63 2.01 -1.26 -1.20 115.64 118.49 2x57 s THR 70 Ca 0.57 -0.88 -0.09 0.00 0.31 0.00 0.00 61.69 61.61 2x57 s THR 70 Cb -0.11 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.66 2x57 s THR 70 CO 0.16 0.52 0.11 -0.69 -0.69 0.00 0.00 174.62 174.03 2x57 s VAL 71 N 0.92 5.10 -0.08 3.82 1.01 0.07 -4.97 120.40 126.28 2x57 s VAL 71 Ca -0.06 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2x57 s VAL 71 Cb -0.15 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.90 2x57 s VAL 71 CO -0.03 0.40 -0.12 -0.89 0.00 0.00 0.00 175.10 174.46 2x57 s THR 72 N 0.74 1.15 0.10 3.92 2.01 -1.26 -1.30 115.64 121.00 2x57 s THR 72 Ca 0.06 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.62 2x57 s THR 72 Cb -0.13 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 2x57 s THR 72 CO 0.02 0.37 -0.08 0.68 -0.69 0.00 0.00 174.62 174.92 2x57 s VAL 73 N 0.85 0.79 0.74 3.82 -7.23 0.13 -4.97 120.40 114.53 2x57 s VAL 73 Ca -0.11 -1.90 -0.13 0.00 -1.81 0.00 0.00 61.98 58.03 2x57 s VAL 73 Cb -0.15 -1.64 0.04 0.00 0.56 0.00 0.00 36.38 35.19 2x57 s VAL 73 CO 0.01 -0.81 1.12 -2.16 -0.31 0.00 0.00 175.10 172.96 2x57 s PRO 74 N -3.64 2.28 0.69 4.82 0.04 -1.26 -0.71 135.00 137.22 2x57 s PRO 74 Ca 0.11 1.40 -0.17 0.00 0.04 0.00 0.00 61.00 62.38 2x57 s PRO 74 Cb 0.03 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.70 2x57 s PRO 74 CO -0.03 -1.66 1.23 0.00 0.04 0.00 0.00 177.00 176.58 2x57 s PRO 76 N -3.52 4.15 0.53 0.00 0.02 -1.26 -4.85 135.00 130.07 2x57 s PRO 76 Ca 0.79 2.54 0.31 0.00 0.02 0.00 0.00 61.00 64.67 2x57 s PRO 76 Cb -0.36 -3.31 1.31 0.00 0.02 0.00 0.00 34.50 32.16 2x57 s PRO 76 CO 0.44 -0.76 1.97 1.57 -0.33 0.00 0.00 177.00 179.89 2x57 h LYS 77 N 7.55 0.00 -0.50 5.54 2.10 -1.95 -3.07 116.57 126.25 2x57 h LYS 77 Ca -0.44 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 58.34 2x57 h LYS 77 Cb 1.21 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.51 2x57 h LYS 77 CO 0.95 0.06 0.35 -0.24 -2.00 0.00 0.00 179.45 178.57 2x57 h VAL 78 N 0.00 0.79 -0.72 0.07 3.04 -1.97 0.29 116.25 117.76 2x57 h VAL 78 Ca -0.00 -0.03 -0.19 0.00 -1.01 0.00 0.00 66.70 65.46 2x57 h VAL 78 Cb 0.53 0.68 -0.11 0.00 -2.01 0.00 0.00 31.29 30.38 2x57 h VAL 78 CO 0.01 0.02 0.24 0.49 -1.01 0.00 0.00 177.57 177.31 2x57 n PHE 79 N -4.42 2.40 -0.31 3.17 3.72 -1.16 -4.70 117.46 116.17 2x57 n PHE 79 Ca 0.09 -1.16 0.26 0.00 -0.05 0.00 0.00 57.45 56.58 2x57 n PHE 79 Cb 0.51 -0.67 0.57 0.00 -0.94 0.00 0.00 39.48 38.95 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 2.79 0.32 0.78 4.37 0.02 -1.11 -0.73 113.55 119.99 2x57 h SER 80 Ca 0.24 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2x57 h SER 80 Cb 2.29 0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.84 2x57 h SER 80 CO 0.71 0.06 0.00 0.59 -1.14 0.00 0.00 176.83 177.05 2x57 n ASN 81 N -4.50 0.07 -0.55 3.07 3.02 -1.26 -2.91 115.26 112.19 2x57 n ASN 81 Ca 0.25 0.51 0.06 0.00 -0.03 0.00 0.00 54.58 55.37 2x57 n ASN 81 Cb 0.95 -0.53 0.09 0.00 -0.61 0.00 0.00 39.78 39.68 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 -1.57 0.15 -3.38 3.10 3.72 -0.29 -4.99 117.46 114.21 2x57 n PHE 82 Ca 0.05 -0.15 -0.36 0.00 -0.05 0.00 0.00 57.45 56.95 2x57 n PHE 82 Cb 0.26 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.74 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 -1.01 3.62 -2.12 1.38 2.02 -1.15 -2.02 117.35 118.09 2x57 s TYR 83 Ca 0.17 1.04 0.21 0.00 -0.37 0.00 0.00 57.07 58.13 2x57 s TYR 83 Cb 0.11 -2.35 0.56 0.00 -0.40 0.00 0.00 41.96 39.88 2x57 s TYR 83 CO 0.16 0.46 1.47 -1.13 -1.57 0.00 0.00 175.55 174.94 2x57 n SER 84 N 0.93 3.43 -3.58 2.29 3.41 -0.53 -4.99 113.62 114.58 2x57 n SER 84 Ca -0.06 -1.99 -0.06 0.00 -0.26 0.00 0.00 58.87 56.50 2x57 n SER 84 Cb 0.52 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.23 0.45 -0.22 4.33 -2.85 -1.26 -5.05 119.74 113.90 2x57 s LYS 85 Ca 0.42 -0.10 -0.29 0.00 -1.00 0.00 0.00 55.97 55.00 2x57 s LYS 85 Cb 0.23 0.21 0.01 0.00 -2.06 0.00 0.00 37.83 36.21 2x57 s LYS 85 CO 0.30 -0.18 1.03 0.00 0.10 0.00 0.00 175.35 176.59 2x57 s ALA 86 N -2.24 3.67 0.26 0.59 0.00 -1.26 -4.77 121.76 118.01 2x57 s ALA 86 Ca 0.07 0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.25 2x57 s ALA 86 Cb -0.01 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.53 2x57 s ALA 86 CO -0.05 -1.02 -0.05 0.20 0.00 0.00 0.00 175.76 174.84 2x57 s GLY 87 N 1.20 1.75 0.14 0.00 0.00 -1.26 -5.06 107.32 104.09 2x57 s GLY 87 Ca 0.44 -1.86 0.07 0.00 0.00 0.00 0.00 44.72 43.36 2x57 s GLY 87 CO 0.07 -1.79 -0.16 -1.31 0.00 0.00 0.00 173.10 169.91 2x57 s ASN 88 N -3.40 2.27 0.09 1.64 0.01 -1.26 -1.10 114.94 113.19 2x57 s ASN 88 Ca 0.29 -0.84 0.06 0.00 -0.71 0.00 0.00 52.86 51.67 2x57 s ASN 88 Cb 0.04 -0.10 -0.03 0.00 0.41 0.00 0.00 41.25 41.57 2x57 s ASN 88 CO 0.11 -0.11 -0.17 0.27 -1.51 0.00 0.00 177.10 175.69 2x57 s ILE 89 N -2.14 1.39 0.09 0.60 -4.36 0.11 -4.64 121.20 112.25 2x57 s ILE 89 Ca 0.12 -1.48 0.02 0.00 -0.26 0.00 0.00 60.65 59.04 2x57 s ILE 89 Cb -0.05 -1.35 -0.04 0.00 1.25 0.00 0.00 42.46 42.27 2x57 s ILE 89 CO 0.04 -0.20 -0.06 -0.44 0.24 0.00 0.00 174.94 174.52 2x57 s SER 90 N -1.95 1.03 0.01 4.36 0.01 -0.30 -0.70 113.70 116.18 2x57 s SER 90 Ca 0.03 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.36 2x57 s SER 90 Cb -0.09 0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.22 2x57 s SER 90 CO 0.03 -0.44 -0.02 -0.54 0.41 0.00 0.00 173.24 172.68 2x57 s LYS 91 N -3.52 0.23 -0.11 12.44 1.02 -0.42 -0.86 119.74 128.52 2x57 s LYS 91 Ca 0.08 -0.41 -0.05 0.00 0.02 0.00 0.00 55.97 55.61 2x57 s LYS 91 Cb 0.03 0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 37.34 2x57 s LYS 91 CO -0.05 -0.02 0.08 -0.80 -0.92 0.00 0.00 175.35 173.65 2x57 s ASN 92 N -0.95 5.90 -0.23 2.83 0.01 -1.26 -0.75 114.94 120.49 2x57 s ASN 92 Ca -0.10 0.32 -0.16 0.00 -0.71 0.00 0.00 52.86 52.21 2x57 s ASN 92 Cb -0.07 -1.84 -0.04 0.00 0.41 0.00 0.00 41.25 39.72 2x57 s ASN 92 CO -0.01 0.38 0.41 0.00 -1.51 0.00 0.00 177.10 176.37 2x57 s THR 94 N 1.70 1.90 -1.79 0.00 -4.23 -0.52 -1.03 115.64 111.68 2x57 s THR 94 Ca 0.18 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.81 2x57 s THR 94 Cb -0.15 -2.94 0.30 0.00 1.34 0.00 0.00 72.50 71.05 2x57 s THR 94 CO 0.09 0.00 1.21 -1.54 -0.54 0.00 0.00 174.62 173.83 2x57 n SER 95 N -0.97 0.00 -0.48 3.99 3.41 -1.26 -0.64 113.62 117.67 2x57 n SER 95 Ca -0.06 -0.20 0.10 0.00 -0.26 0.00 0.00 58.87 58.46 2x57 n SER 95 Cb 0.67 -0.11 -0.00 0.00 -0.26 0.00 0.00 64.21 64.51 2x57 n SER 95 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2x57 n ASP 96 N -1.11 1.96 0.00 4.04 8.00 -1.26 -5.10 116.55 123.09 2x57 n ASP 96 Ca 0.08 -1.48 0.00 0.00 0.71 0.00 0.00 54.79 54.10 2x57 n ASP 96 Cb 0.06 0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 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 1.37 -0.01 3.77 0.44 0.00 0.18 -5.05 105.19 105.89 2x57 n GLY 97 Ca 0.09 -2.25 -0.39 0.00 0.00 0.00 0.00 46.02 43.47 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 3.32 0.80 1.61 0.52 -1.26 -1.44 118.94 122.48 2x57 s TRP 98 Ca 0.00 1.62 -0.12 0.00 0.02 0.00 0.00 56.10 57.62 2x57 s TRP 98 Cb 0.00 -3.34 0.07 0.00 -1.15 0.00 0.00 33.47 29.05 2x57 s TRP 98 CO 0.00 -0.94 1.16 -1.54 0.02 0.00 0.00 176.95 175.66 2x57 s SER 99 N -1.02 4.62 0.74 2.95 1.04 -0.20 -4.94 113.70 116.89 2x57 s SER 99 Ca 0.51 0.85 -0.14 0.00 0.48 0.00 0.00 55.95 57.65 2x57 s SER 99 Cb -0.31 -1.40 0.05 0.00 0.10 0.00 0.00 66.02 64.45 2x57 s SER 99 CO 0.40 -1.84 1.18 -1.61 0.98 0.00 0.00 173.24 172.34 2x57 s GLU 100 N -5.52 2.12 0.29 4.02 0.41 -1.26 -4.71 118.70 114.04 2x57 s GLU 100 Ca 0.61 1.64 -0.29 0.00 -0.41 0.00 0.00 54.97 56.52 2x57 s GLU 100 Cb -0.11 -1.84 -0.10 0.00 -1.78 0.00 0.00 34.13 30.30 2x57 s GLU 100 CO 0.50 -1.82 1.27 0.99 -0.49 0.00 0.00 175.26 175.71 2x57 s THR 101 N -2.17 2.97 0.02 3.63 2.01 -1.26 -4.69 115.64 116.15 2x57 s THR 101 Ca 0.71 0.92 0.02 0.00 0.31 0.00 0.00 61.69 63.66 2x57 s THR 101 Cb -0.26 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 2x57 s THR 101 CO 0.47 0.20 -0.07 0.72 -0.69 0.00 0.00 174.62 175.24 2x57 s PHE 102 N -0.80 0.62 1.20 4.92 -0.71 -0.04 -3.99 117.98 119.18 2x57 s PHE 102 Ca 0.50 -0.26 -0.16 0.00 -1.04 0.00 0.00 56.93 55.98 2x57 s PHE 102 Cb -0.38 -0.38 0.29 0.00 -1.21 0.00 0.00 43.02 41.33 2x57 s PHE 102 CO 0.47 -0.03 1.03 -2.14 -1.34 0.00 0.00 175.22 173.21 2x57 s PRO 103 N -0.71 -1.17 0.70 1.99 0.02 -1.26 -1.14 135.00 133.42 2x57 s PRO 103 Ca -0.02 0.43 -0.16 0.00 0.02 0.00 0.00 61.00 61.27 2x57 s PRO 103 Cb -0.05 -1.56 0.02 0.00 0.02 0.00 0.00 34.50 32.93 2x57 s PRO 103 CO 0.00 -3.79 1.26 0.16 -0.33 0.00 0.00 177.00 174.30 2x57 s ASP 104 N -3.11 4.31 0.23 2.53 -4.77 -1.26 -4.49 116.67 110.12 2x57 s ASP 104 Ca 0.68 2.51 -0.09 0.00 -3.30 0.00 0.00 52.55 52.35 2x57 s ASP 104 Cb -0.18 -2.61 0.36 0.00 -1.09 0.00 0.00 42.92 39.40 2x57 s ASP 104 CO 0.60 -2.19 1.64 0.15 0.70 0.00 0.00 175.17 176.07 2x57 h PHE 105 N 0.07 -0.08 -0.65 2.11 3.57 -1.96 0.24 116.94 120.25 2x57 h PHE 105 Ca -0.49 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.01 2x57 h PHE 105 Cb 1.32 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 40.18 2x57 h PHE 105 CO 0.44 -0.22 0.20 0.28 -2.23 0.00 0.00 178.31 176.78 2x57 h VAL 106 N 0.10 1.25 0.03 1.41 2.07 -1.92 -1.69 116.25 117.50 2x57 h VAL 106 Ca 0.37 -0.86 -0.21 0.00 0.82 0.00 0.00 66.70 66.82 2x57 h VAL 106 Cb 0.62 0.58 0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2x57 h VAL 106 CO -0.62 0.33 -0.83 0.44 0.02 0.00 0.00 177.57 176.92 2x57 h ASP 107 N 0.94 0.67 -0.47 0.57 3.32 -1.74 -2.31 116.42 117.40 2x57 h ASP 107 Ca 0.21 -0.79 -0.06 0.00 0.02 0.00 0.00 57.03 56.41 2x57 h ASP 107 Cb 0.29 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2x57 h ASP 107 CO -0.01 1.37 0.08 0.00 -1.72 0.00 0.00 179.24 178.97 2x57 h ALA 108 N 0.30 1.14 0.00 3.45 0.00 -0.45 -3.11 119.26 120.60 2x57 h ALA 108 Ca -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2x57 h ALA 108 Cb 1.53 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2x57 h ALA 108 CO 0.16 0.57 -1.08 0.00 0.00 0.00 0.00 179.25 178.90 2x57 n GLY 110 N 1.46 -0.33 3.72 0.00 0.00 -0.96 -4.05 105.19 105.03 2x57 n GLY 110 Ca 0.03 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.28 3.76 0.06 1.61 5.04 -0.91 -1.45 117.35 122.18 2x57 s TYR 111 Ca 0.42 1.73 -0.21 0.00 -2.44 0.00 0.00 57.07 56.57 2x57 s TYR 111 Cb -0.19 -3.04 0.05 0.00 0.35 0.00 0.00 41.96 39.13 2x57 s TYR 111 CO 0.63 0.15 0.50 -1.54 -1.34 0.00 0.00 175.55 173.95 2x57 s SER 112 N 0.27 -0.40 -0.07 4.32 1.04 -0.85 -4.93 113.70 113.08 2x57 s SER 112 Ca 0.47 0.09 0.04 0.00 0.48 0.00 0.00 55.95 57.03 2x57 s SER 112 Cb -0.22 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.38 2x57 s SER 112 CO 0.28 -0.74 -0.18 -0.62 0.98 0.00 0.00 173.24 172.96 2x57 s ASP 113 N -2.11 2.39 0.00 7.02 -1.08 -1.26 -4.75 116.67 116.88 2x57 s ASP 113 Ca -0.04 -0.41 0.20 0.00 -0.52 0.00 0.00 52.55 51.78 2x57 s ASP 113 Cb -0.00 -0.93 1.18 0.00 -1.46 0.00 0.00 42.92 41.70 2x57 s ASP 113 CO -0.04 0.13 1.57 -0.81 0.52 0.00 0.00 175.17 176.54