#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8h n LEU 2 N 0.00 -4.10 -0.06 3.17 4.77 -1.26 -4.93 117.00 114.59 3i8h n LEU 2 Ca 0.00 1.24 -0.14 0.00 -0.03 0.00 0.00 56.01 57.07 3i8h n LEU 2 Cb 0.00 -2.10 -0.06 0.00 -2.33 0.00 0.00 43.42 38.93 3i8h n LEU 2 CO 0.00 -1.73 0.48 0.71 -1.33 0.00 0.00 177.39 175.52 3i8h h THR 3 N 2.01 1.33 -3.22 -5.08 1.35 -2.06 -3.40 112.91 103.84 3i8h h THR 3 Ca -0.16 -1.60 -0.59 0.00 -0.55 0.00 0.00 66.41 63.50 3i8h h THR 3 Cb 0.36 1.84 -0.40 0.00 -1.73 0.00 0.00 68.15 68.22 3i8h h THR 3 CO 0.00 0.50 -0.75 -0.62 -0.25 0.00 0.00 175.52 174.40 3i8h s ASP 4 N -6.59 4.12 0.17 5.36 3.68 -1.26 -4.99 116.67 117.15 3i8h s ASP 4 Ca -0.12 -1.70 -0.16 0.00 2.13 0.00 0.00 52.55 52.69 3i8h s ASP 4 Cb 0.07 -0.96 0.10 0.00 -1.45 0.00 0.00 42.92 40.69 3i8h s ASP 4 CO 0.83 -0.41 1.68 -0.65 0.13 0.00 0.00 175.17 176.75 3i8h h PRO 5 N 8.03 0.05 0.61 4.34 0.11 -1.94 -2.50 132.00 140.70 3i8h h PRO 5 Ca -0.12 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 3i8h h PRO 5 Cb 1.01 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3i8h h PRO 5 CO 0.48 0.03 -0.41 0.82 -0.21 0.00 0.00 178.00 178.71 3i8h h ILE 6 N 0.05 0.00 -1.00 4.15 5.03 -1.99 -2.26 117.51 121.49 3i8h h ILE 6 Ca 0.19 0.00 0.29 0.00 -0.12 0.00 0.00 64.86 65.22 3i8h h ILE 6 Cb 0.29 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 33.94 3i8h h ILE 6 CO -0.37 0.00 0.57 0.00 -0.68 0.00 0.00 178.15 177.67 3i8h h ALA 7 N -1.25 1.87 -0.08 1.87 0.00 -1.96 0.59 119.26 120.30 3i8h h ALA 7 Ca -0.08 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3i8h h ALA 7 Cb 0.79 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 3i8h h ALA 7 CO 0.06 -0.45 -0.28 0.22 0.00 0.00 0.00 179.25 178.80 3i8h h ASP 8 N 0.43 -0.86 0.32 0.00 3.58 -0.96 -1.67 116.42 117.26 3i8h h ASP 8 Ca 0.69 0.13 -0.01 0.00 0.42 0.00 0.00 57.03 58.26 3i8h h ASP 8 Cb 1.48 0.36 -0.02 0.00 1.72 0.00 0.00 39.33 42.87 3i8h h ASP 8 CO -0.55 -0.34 -0.38 -0.03 -2.88 0.00 0.00 179.24 175.06 3i8h h MET 9 N -0.38 -0.70 -1.61 0.28 4.05 0.71 0.42 114.93 117.70 3i8h h MET 9 Ca 0.08 0.05 0.47 0.00 -0.28 0.00 0.00 59.70 60.02 3i8h h MET 9 Cb 0.51 0.16 -0.07 0.00 -0.80 0.00 0.00 31.60 31.40 3i8h h MET 9 CO -0.30 -0.46 1.15 -0.07 0.23 0.00 0.00 176.91 177.46 3i8h h LEU 10 N -0.72 0.02 0.03 3.39 3.38 -1.16 1.62 115.31 121.87 3i8h h LEU 10 Ca -0.04 0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.65 3i8h h LEU 10 Cb 0.64 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3i8h h LEU 10 CO -0.08 -0.01 -1.58 0.74 0.09 0.00 0.00 178.44 177.60 3i8h h THR 11 N 0.01 1.03 -0.67 0.22 2.02 -0.25 -2.25 112.91 113.02 3i8h h THR 11 Ca 0.77 -2.81 -0.03 0.00 0.77 0.00 0.00 66.41 65.11 3i8h h THR 11 Cb 3.06 2.56 -0.03 0.00 -1.74 0.00 0.00 68.15 72.00 3i8h h THR 11 CO -0.03 0.67 0.30 0.03 0.37 0.00 0.00 175.52 176.86 3i8h h ARG 12 N 0.02 0.98 0.11 6.66 3.08 0.66 -0.05 114.38 125.84 3i8h h ARG 12 Ca -0.24 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.65 3i8h h ARG 12 Cb 1.97 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.84 3i8h h ARG 12 CO 0.10 0.80 -0.11 0.82 -1.07 0.00 0.00 179.97 180.51 3i8h h ILE 13 N 0.94 0.75 -0.86 2.04 2.04 -0.66 -2.08 117.51 119.68 3i8h h ILE 13 Ca 0.23 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.15 3i8h h ILE 13 Cb 0.16 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 3i8h h ILE 13 CO -0.02 0.00 0.53 -0.09 0.00 0.00 0.00 178.15 178.57 3i8h h ARG 14 N -0.24 0.93 0.00 2.37 2.43 -0.76 -0.70 114.38 118.41 3i8h h ARG 14 Ca 0.01 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 3i8h h ARG 14 Cb 0.23 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3i8h h ARG 14 CO -0.03 0.62 -0.37 -0.91 -1.51 0.00 0.00 179.97 177.77 3i8h h ASN 15 N 0.96 0.00 0.10 -3.80 2.35 -0.76 -2.78 115.58 111.65 3i8h h ASN 15 Ca 0.38 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.12 3i8h h ASN 15 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 3i8h h ASN 15 CO -0.18 0.37 -0.05 0.00 -1.65 0.00 0.00 177.43 175.92 3i8h h ALA 16 N 1.63 -0.13 -0.98 -0.83 0.00 -0.67 -3.29 119.26 114.98 3i8h h ALA 16 Ca -0.00 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 54.96 3i8h h ALA 16 Cb 0.81 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 3i8h h ALA 16 CO 0.05 -0.15 0.64 1.79 0.00 0.00 0.00 179.25 181.58 3i8h h THR 17 N -0.98 0.61 0.00 0.00 1.35 -1.18 0.35 112.91 113.04 3i8h h THR 17 Ca -0.01 -0.15 -0.01 0.00 -0.55 0.00 0.00 66.41 65.69 3i8h h THR 17 Cb 0.40 0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 66.96 3i8h h THR 17 CO 0.02 0.08 -0.04 0.03 -0.25 0.00 0.00 175.52 175.36 3i8h h ARG 18 N 0.42 0.00 -0.34 4.72 -0.00 -1.59 -2.37 114.38 115.23 3i8h h ARG 18 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 60.02 3i8h h ARG 18 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.30 3i8h h ARG 18 CO -0.24 0.04 0.00 1.33 0.00 0.00 0.00 179.97 181.09 3i8h n VAL 19 N -3.14 1.29 -3.26 2.04 0.24 -0.01 -5.01 118.33 110.48 3i8h n VAL 19 Ca 0.01 -1.19 -0.24 0.00 -2.04 0.00 0.00 64.34 60.88 3i8h n VAL 19 Cb 0.34 0.33 0.02 0.00 -1.47 0.00 0.00 33.84 33.07 3i8h n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3i8h n TYR 20 N 0.32 -2.97 -5.13 6.34 4.01 -0.48 -4.99 117.16 114.27 3i8h n TYR 20 Ca 0.14 1.22 -0.32 0.00 -0.16 0.00 0.00 57.90 58.78 3i8h n TYR 20 Cb 0.54 -2.86 -0.16 0.00 -0.31 0.00 0.00 39.34 36.55 3i8h n TYR 20 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3i8h s LYS 21 N -2.72 2.82 0.13 -0.72 2.20 -1.09 -5.02 119.74 115.34 3i8h s LYS 21 Ca 0.29 -0.84 -0.22 0.00 -0.36 0.00 0.00 55.97 54.84 3i8h s LYS 21 Cb -0.05 -2.30 -0.01 0.00 -1.51 0.00 0.00 37.83 33.96 3i8h s LYS 21 CO 0.83 0.33 1.66 1.49 -0.36 0.00 0.00 175.35 179.30 3i8h h GLU 22 N 6.26 -0.20 -3.38 4.03 4.81 -1.93 -3.43 114.58 120.74 3i8h h GLU 22 Ca -0.29 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 58.85 3i8h h GLU 22 Cb 1.20 0.04 -0.18 0.00 0.63 0.00 0.00 28.75 30.45 3i8h h GLU 22 CO 0.49 -0.13 -0.32 -1.54 -0.73 0.00 0.00 179.01 176.78 3i8h s SER 23 N -5.05 -0.06 -0.03 1.04 1.04 -1.26 -2.28 113.70 107.10 3i8h s SER 23 Ca -0.14 -0.23 -0.02 0.00 0.48 0.00 0.00 55.95 56.04 3i8h s SER 23 Cb 0.11 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.56 3i8h s SER 23 CO 0.68 -0.56 0.07 0.42 0.98 0.00 0.00 173.24 174.82 3i8h s THR 24 N -2.37 -0.03 0.55 2.02 -4.23 -0.69 -4.92 115.64 105.97 3i8h s THR 24 Ca -0.06 0.09 -0.06 0.00 -1.18 0.00 0.00 61.69 60.48 3i8h s THR 24 Cb -0.02 -0.12 -0.02 0.00 1.34 0.00 0.00 72.50 73.68 3i8h s THR 24 CO -0.02 0.04 0.87 -1.81 -0.54 0.00 0.00 174.62 173.15 3i8h s ASP 25 N 0.54 5.98 -0.24 3.99 1.11 -1.25 -1.39 116.67 125.41 3i8h s ASP 25 Ca -0.04 0.92 -0.12 0.00 0.18 0.00 0.00 52.55 53.49 3i8h s ASP 25 Cb -0.06 -2.06 0.09 0.00 1.07 0.00 0.00 42.92 41.96 3i8h s ASP 25 CO -0.02 -0.82 0.57 0.68 1.18 0.00 0.00 175.17 176.75 3i8h s VAL 26 N -2.91 -0.32 0.13 -1.27 -7.23 -0.48 -4.91 120.40 103.40 3i8h s VAL 26 Ca 0.51 0.05 -0.33 0.00 -1.81 0.00 0.00 61.98 60.41 3i8h s VAL 26 Cb -0.10 -0.85 -0.18 0.00 0.56 0.00 0.00 36.38 35.81 3i8h s VAL 26 CO 0.46 0.02 0.76 -2.65 -0.31 0.00 0.00 175.10 173.38 3i8h n PRO 27 N 4.72 0.08 -1.49 4.82 -0.02 -1.26 -1.15 135.00 140.69 3i8h n PRO 27 Ca -0.17 0.03 -0.36 0.00 -2.02 0.00 0.00 63.50 60.97 3i8h n PRO 27 Cb 0.54 -1.24 0.08 0.00 -0.02 0.00 0.00 33.50 32.86 3i8h n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i8h n ALA 28 N 0.62 0.15 -3.28 3.55 0.00 0.04 -4.70 120.51 116.89 3i8h n ALA 28 Ca 0.18 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.55 3i8h n ALA 28 Cb 0.19 -2.16 -0.04 0.00 0.00 0.00 0.00 19.45 17.44 3i8h n ALA 28 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3i8h s SER 29 N -1.51 -0.33 0.16 0.00 0.15 -1.26 -5.00 113.70 105.90 3i8h s SER 29 Ca 0.76 0.43 -0.31 0.00 0.70 0.00 0.00 55.95 57.53 3i8h s SER 29 Cb -0.37 1.37 -0.07 0.00 -1.71 0.00 0.00 66.02 65.24 3i8h s SER 29 CO 0.47 -0.06 1.54 -0.09 1.20 0.00 0.00 173.24 176.30 3i8h h ARG 30 N 7.35 -0.07 -0.70 5.44 2.43 -2.00 0.18 114.38 127.01 3i8h h ARG 30 Ca -0.14 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 3i8h h ARG 30 Cb 1.13 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 3i8h h ARG 30 CO 0.05 -0.05 0.28 0.35 -1.51 0.00 0.00 179.97 179.09 3i8h h PHE 31 N -0.07 1.04 -0.71 2.20 3.57 -2.00 -2.78 116.94 118.19 3i8h h PHE 31 Ca 0.15 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 3i8h h PHE 31 Cb 0.45 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3i8h h PHE 31 CO -0.97 0.79 0.33 0.87 -2.23 0.00 0.00 178.31 177.10 3i8h h LYS 32 N 1.01 1.02 -0.63 1.11 1.57 -1.20 -2.36 116.57 117.09 3i8h h LYS 32 Ca 0.24 -0.16 0.06 0.00 -1.87 0.00 0.00 60.65 58.92 3i8h h LYS 32 Cb 0.19 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 3i8h h LYS 32 CO -0.02 0.81 0.33 0.93 -0.57 0.00 0.00 179.45 180.93 3i8h h GLU 33 N 0.99 0.60 -1.22 3.15 5.08 -0.51 0.25 114.58 122.92 3i8h h GLU 33 Ca 0.24 -0.04 0.35 0.00 -1.00 0.00 0.00 59.36 58.92 3i8h h GLU 33 Cb 0.13 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 3i8h h GLU 33 CO -0.03 0.40 0.88 0.93 -1.00 0.00 0.00 179.01 180.19 3i8h h GLU 34 N 0.62 0.00 0.00 2.33 4.39 -1.26 0.20 114.58 120.86 3i8h h GLU 34 Ca 0.29 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.92 3i8h h GLU 34 Cb 0.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3i8h h GLU 34 CO -0.19 0.00 -0.42 0.82 -1.16 0.00 0.00 179.01 178.06 3i8h h ILE 35 N 0.00 0.92 -0.68 3.13 2.04 -0.91 -3.19 117.51 118.82 3i8h h ILE 35 Ca 0.58 -1.82 0.14 0.00 1.00 0.00 0.00 64.86 64.76 3i8h h ILE 35 Cb 2.33 1.87 -0.10 0.00 -0.74 0.00 0.00 36.82 40.18 3i8h h ILE 35 CO -0.01 0.31 0.11 -0.07 0.00 0.00 0.00 178.15 178.49 3i8h h LEU 36 N -1.00 -0.09 -0.20 1.44 3.38 -0.64 -1.67 115.31 116.53 3i8h h LEU 36 Ca -0.10 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3i8h h LEU 36 Cb 0.80 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 3i8h h LEU 36 CO -0.06 -0.06 -0.34 -0.09 0.09 0.00 0.00 178.44 177.99 3i8h h ARG 37 N 0.22 -0.27 -1.09 1.13 2.43 -0.78 0.78 114.38 116.79 3i8h h ARG 37 Ca 0.37 0.02 0.30 0.00 -0.81 0.00 0.00 59.98 59.86 3i8h h ARG 37 Cb 0.61 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.15 3i8h h ARG 37 CO -0.50 -0.18 0.75 0.82 -1.51 0.00 0.00 179.97 179.35 3i8h h ILE 38 N -0.28 0.47 -0.52 1.20 2.04 -1.30 0.12 117.51 119.24 3i8h h ILE 38 Ca 0.04 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 3i8h h ILE 38 Cb 0.38 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3i8h h ILE 38 CO -0.34 0.03 0.10 -0.07 0.00 0.00 0.00 178.15 177.88 3i8h h LEU 39 N 0.17 0.75 0.03 1.44 4.07 -0.27 -2.29 115.31 119.21 3i8h h LEU 39 Ca 0.56 -0.14 -0.06 0.00 0.08 0.00 0.00 57.88 58.33 3i8h h LEU 39 Cb 1.88 -0.20 0.01 0.00 1.08 0.00 0.00 40.66 43.43 3i8h h LEU 39 CO -0.14 0.75 -0.25 0.00 -1.08 0.00 0.00 178.44 177.73 3i8h h ALA 40 N 1.34 -0.01 0.00 1.53 0.00 -0.41 0.29 119.26 122.00 3i8h h ALA 40 Ca 0.17 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3i8h h ALA 40 Cb 0.32 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3i8h h ALA 40 CO 0.00 0.10 0.15 -2.13 0.00 0.00 0.00 179.25 177.37 3i8h n ARG 41 N -4.48 0.01 -0.00 0.00 0.00 -0.59 0.70 116.66 112.29 3i8h n ARG 41 Ca -0.11 0.37 0.04 0.00 -0.00 0.00 0.00 57.85 58.15 3i8h n ARG 41 Cb 0.55 -1.67 -0.04 0.00 0.00 0.00 0.00 32.46 31.30 3i8h n ARG 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3i8h n GLU 42 N -1.41 4.20 -0.48 -0.14 -0.58 -0.87 -5.02 120.64 116.34 3i8h n GLU 42 Ca -0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3i8h n GLU 42 Cb 0.15 -0.88 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 3i8h n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i8h n GLY 43 N 1.24 0.72 0.06 0.62 0.00 0.22 -4.95 105.19 103.09 3i8h n GLY 43 Ca 0.01 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.74 3i8h n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i8h n PHE 44 N -2.48 0.48 -3.68 1.61 3.72 0.97 -4.88 117.46 113.21 3i8h n PHE 44 Ca 0.00 0.14 -0.15 0.00 -0.05 0.00 0.00 57.45 57.40 3i8h n PHE 44 Cb 0.00 -0.60 -0.08 0.00 -0.94 0.00 0.00 39.48 37.85 3i8h n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3i8h s ILE 45 N -3.16 0.02 0.14 4.37 -4.36 -1.18 -3.71 121.20 113.32 3i8h s ILE 45 Ca 0.06 -0.20 -0.18 0.00 -0.26 0.00 0.00 60.65 60.07 3i8h s ILE 45 Cb 0.14 -0.73 -0.02 0.00 1.25 0.00 0.00 42.46 43.09 3i8h s ILE 45 CO 0.73 -0.11 1.78 0.11 0.24 0.00 0.00 174.94 177.69 3i8h h LYS 46 N 4.12 0.42 0.00 0.37 1.57 -1.58 -3.36 116.57 118.12 3i8h h LYS 46 Ca -0.28 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3i8h h LYS 46 Cb 1.17 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.38 3i8h h LYS 46 CO 0.33 0.30 0.00 0.41 -0.57 0.00 0.00 179.45 179.92 3i8h n GLY 47 N -1.14 -1.93 0.00 3.86 0.00 -1.21 -4.88 105.19 99.89 3i8h n GLY 47 Ca -0.01 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3i8h n GLY 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3i8h n TYR 48 N 5.17 0.00 -3.17 1.61 0.18 -1.25 -0.74 117.16 118.96 3i8h n TYR 48 Ca 0.00 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.82 3i8h n TYR 48 Cb 0.00 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 38.93 3i8h n TYR 48 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 3i8h s GLU 49 N -0.65 0.03 0.02 -3.48 -1.05 -0.60 -4.92 118.70 108.05 3i8h s GLU 49 Ca 0.00 0.06 -0.37 0.00 -0.15 0.00 0.00 54.97 54.51 3i8h s GLU 49 Cb 0.00 0.04 -0.16 0.00 -0.44 0.00 0.00 34.13 33.57 3i8h s GLU 49 CO 0.00 -0.01 1.48 0.54 0.95 0.00 0.00 175.26 178.22 3i8h n ARG 50 N 4.82 1.35 0.00 -4.83 1.74 -1.26 -2.01 116.66 116.47 3i8h n ARG 50 Ca -0.07 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 3i8h n ARG 50 Cb 0.55 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 3i8h n ARG 50 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3i8h n VAL 51 N 3.18 0.00 -3.48 1.55 0.24 0.77 -4.89 118.33 115.70 3i8h n VAL 51 Ca 0.20 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.48 3i8h n VAL 51 Cb 0.20 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.52 3i8h n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i8h s ASP 52 N 1.00 -0.83 -0.65 -1.34 2.15 -1.26 -3.32 116.67 112.42 3i8h s ASP 52 Ca 0.00 1.09 -0.01 0.00 0.43 0.00 0.00 52.55 54.06 3i8h s ASP 52 Cb 0.00 1.90 0.16 0.00 -0.30 0.00 0.00 42.92 44.69 3i8h s ASP 52 CO 0.00 -0.24 0.45 -0.69 -0.17 0.00 0.00 175.17 174.52 3i8h s VAL 53 N 2.78 3.53 -0.36 1.11 1.01 -0.07 -4.69 120.40 123.71 3i8h s VAL 53 Ca 0.04 -3.25 -0.02 0.00 0.00 0.00 0.00 61.98 58.76 3i8h s VAL 53 Cb -0.13 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.94 3i8h s VAL 53 CO -0.18 -0.90 0.31 0.47 0.00 0.00 0.00 175.10 174.80 3i8h n ASP 54 N 3.15 -2.79 0.00 3.32 8.00 -1.26 -3.14 116.55 123.83 3i8h n ASP 54 Ca 0.10 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.44 3i8h n ASP 54 Cb 0.36 -1.75 0.00 0.00 -0.02 0.00 0.00 41.12 39.71 3i8h n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i8h n GLY 55 N -0.96 2.83 3.69 0.44 0.00 -1.26 -4.98 105.19 104.95 3i8h n GLY 55 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 3i8h n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8h s LYS 56 N -0.09 4.26 -0.28 1.61 1.02 -1.19 -5.02 119.74 120.05 3i8h s LYS 56 Ca 0.00 0.39 -0.29 0.00 0.02 0.00 0.00 55.97 56.10 3i8h s LYS 56 Cb 0.00 -3.50 -0.02 0.00 -0.52 0.00 0.00 37.83 33.79 3i8h s LYS 56 CO 0.00 0.02 1.69 -1.25 -0.92 0.00 0.00 175.35 174.88 3i8h s PRO 57 N 1.10 3.58 0.49 -1.68 0.04 -1.26 -0.89 135.00 136.37 3i8h s PRO 57 Ca 0.24 1.51 0.04 0.00 0.04 0.00 0.00 61.00 62.83 3i8h s PRO 57 Cb -0.15 -4.11 -0.02 0.00 0.04 0.00 0.00 34.50 30.26 3i8h s PRO 57 CO 0.09 -1.56 0.10 0.71 0.04 0.00 0.00 177.00 176.38 3i8h s TYR 58 N 5.96 2.02 -0.05 0.56 1.51 -1.21 -0.78 117.35 125.36 3i8h s TYR 58 Ca 0.75 -0.84 0.05 0.00 -1.01 0.00 0.00 57.07 56.01 3i8h s TYR 58 Cb -0.23 -1.73 -0.01 0.00 -0.11 0.00 0.00 41.96 39.88 3i8h s TYR 58 CO 0.32 0.14 -0.20 -0.51 -1.11 0.00 0.00 175.55 174.18 3i8h s LEU 59 N -3.93 1.98 -0.20 -1.29 1.43 -0.30 -0.17 118.68 116.21 3i8h s LEU 59 Ca 0.20 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 3i8h s LEU 59 Cb 0.03 -1.11 -0.04 0.00 0.03 0.00 0.00 46.19 45.09 3i8h s LEU 59 CO 0.11 0.19 0.31 -0.13 0.23 0.00 0.00 176.35 177.06 3i8h s ARG 60 N -0.08 4.18 -0.23 1.70 1.81 -0.85 -1.38 118.95 124.10 3i8h s ARG 60 Ca -0.03 0.05 0.01 0.00 -1.72 0.00 0.00 55.73 54.05 3i8h s ARG 60 Cb -0.12 -3.50 0.04 0.00 -0.45 0.00 0.00 34.95 30.92 3i8h s ARG 60 CO 0.02 0.08 -0.14 0.08 -0.68 0.00 0.00 175.30 174.67 3i8h s VAL 61 N 0.97 2.26 -0.38 3.52 1.01 -0.48 -1.56 120.40 125.75 3i8h s VAL 61 Ca 0.15 -1.25 -0.20 0.00 0.00 0.00 0.00 61.98 60.68 3i8h s VAL 61 Cb -0.14 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.10 3i8h s VAL 61 CO 0.06 0.23 0.62 -0.31 0.00 0.00 0.00 175.10 175.70 3i8h s TYR 62 N 1.22 3.13 0.26 5.22 2.02 0.08 -1.70 117.35 127.58 3i8h s TYR 62 Ca -0.02 0.21 -0.20 0.00 -0.37 0.00 0.00 57.07 56.69 3i8h s TYR 62 Cb -0.17 -3.16 -0.09 0.00 -0.40 0.00 0.00 41.96 38.15 3i8h s TYR 62 CO -0.08 -0.68 0.77 -0.51 -1.57 0.00 0.00 175.55 173.48 3i8h s LEU 63 N 2.69 4.30 -0.04 -1.29 2.01 -0.97 -1.63 118.68 123.75 3i8h s LEU 63 Ca 0.23 1.49 -0.03 0.00 0.01 0.00 0.00 54.13 55.83 3i8h s LEU 63 Cb -0.15 -3.74 -0.04 0.00 0.01 0.00 0.00 46.19 42.27 3i8h s LEU 63 CO 0.16 -0.02 0.14 -0.75 1.01 0.00 0.00 176.35 176.88 3i8h s LYS 64 N -2.13 3.32 0.27 1.70 2.20 -1.24 -4.68 119.74 119.17 3i8h s LYS 64 Ca 0.46 -0.32 -0.01 0.00 -0.36 0.00 0.00 55.97 55.74 3i8h s LYS 64 Cb -0.16 -3.04 -0.02 0.00 -1.51 0.00 0.00 37.83 33.09 3i8h s LYS 64 CO 0.21 0.70 0.28 0.71 -0.36 0.00 0.00 175.35 176.89 3i8h s TYR 65 N -1.20 1.19 0.00 4.03 1.51 -1.26 -3.79 117.35 117.84 3i8h s TYR 65 Ca 0.22 -1.35 0.00 0.00 -1.01 0.00 0.00 57.07 54.93 3i8h s TYR 65 Cb -0.12 -0.41 0.00 0.00 -0.11 0.00 0.00 41.96 41.32 3i8h s TYR 65 CO 0.13 -0.84 0.00 0.41 -1.11 0.00 0.00 175.55 174.14 3i8h n GLY 66 N -0.43 -0.16 3.92 0.71 0.00 -0.60 -4.88 105.19 103.75 3i8h n GLY 66 Ca 0.03 -1.81 -0.26 0.00 0.00 0.00 0.00 46.02 43.98 3i8h n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i8h s PRO 67 N -2.50 3.55 0.76 1.61 0.04 -1.26 -4.71 135.00 132.48 3i8h s PRO 67 Ca 0.00 -0.16 -0.16 0.00 0.04 0.00 0.00 61.00 60.72 3i8h s PRO 67 Cb 0.00 -2.64 -0.02 0.00 0.04 0.00 0.00 34.50 31.87 3i8h s PRO 67 CO 0.00 0.15 0.54 -2.13 0.04 0.00 0.00 177.00 175.60 3i8h n ARG 68 N -1.45 0.22 -3.79 4.56 0.63 -1.26 -4.24 116.66 111.33 3i8h n ARG 68 Ca -0.03 0.12 -0.23 0.00 -0.92 0.00 0.00 57.85 56.78 3i8h n ARG 68 Cb 0.55 -1.86 -0.03 0.00 0.45 0.00 0.00 32.46 31.57 3i8h n ARG 68 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i8h n ARG 69 N -0.94 0.99 -4.73 -0.14 1.74 0.10 -4.88 116.66 108.80 3i8h n ARG 69 Ca 0.10 -2.78 -0.32 0.00 -0.77 0.00 0.00 57.85 54.08 3i8h n ARG 69 Cb 0.50 0.59 -0.08 0.00 -1.02 0.00 0.00 32.46 32.46 3i8h n ARG 69 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3i8h s GLN 70 N -3.52 2.17 0.30 5.56 -0.21 -1.26 -4.58 119.66 118.11 3i8h s GLN 70 Ca 0.08 -2.38 0.00 0.00 0.02 0.00 0.00 55.36 53.08 3i8h s GLN 70 Cb -0.01 -1.42 0.00 0.00 1.00 0.00 0.00 33.01 32.58 3i8h s GLN 70 CO 0.05 -0.38 0.00 0.41 -2.12 0.00 0.00 175.29 173.25 3i8h n GLY 71 N -1.23 -2.11 3.42 3.09 0.00 -1.26 -4.64 105.19 102.46 3i8h n GLY 71 Ca -0.18 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 3i8h n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i8h n PRO 72 N -3.56 0.43 -2.84 1.61 -0.02 -1.26 -3.93 135.00 125.42 3i8h n PRO 72 Ca -0.01 0.16 -0.01 0.00 -2.02 0.00 0.00 63.50 61.62 3i8h n PRO 72 Cb 0.47 -1.42 -0.01 0.00 -0.02 0.00 0.00 33.50 32.53 3i8h n PRO 72 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3i8h n ASP 73 N 1.42 -6.86 -0.14 2.55 4.64 -1.26 -4.86 116.55 112.04 3i8h n ASP 73 Ca 0.11 1.16 0.07 0.00 -1.38 0.00 0.00 54.79 54.75 3i8h n ASP 73 Cb 0.41 -4.25 0.35 0.00 -1.04 0.00 0.00 41.12 36.59 3i8h n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3i8h n PRO 74 N 1.04 1.18 -1.72 -0.67 -0.04 -1.25 -4.72 135.00 128.81 3i8h n PRO 74 Ca -0.05 -0.27 -0.43 0.00 -0.04 0.00 0.00 63.50 62.72 3i8h n PRO 74 Cb 0.20 -1.23 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 3i8h n PRO 74 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i8h n ARG 75 N -0.44 2.49 -1.00 0.54 1.74 -1.26 0.01 116.66 118.74 3i8h n ARG 75 Ca 0.10 0.89 -0.31 0.00 -0.77 0.00 0.00 57.85 57.76 3i8h n ARG 75 Cb 0.11 -2.65 0.13 0.00 -1.02 0.00 0.00 32.46 29.03 3i8h n ARG 75 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3i8h s PRO 76 N -0.16 1.67 0.78 5.56 0.04 -1.26 -4.49 135.00 137.15 3i8h s PRO 76 Ca 0.68 1.37 -0.10 0.00 0.04 0.00 0.00 61.00 62.98 3i8h s PRO 76 Cb -0.55 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.24 3i8h s PRO 76 CO 0.46 -2.11 1.10 -2.00 0.04 0.00 0.00 177.00 174.48 3i8h s GLU 77 N -4.74 2.16 0.16 4.56 2.12 -1.26 -4.80 118.70 116.88 3i8h s GLU 77 Ca 0.64 1.20 -0.11 0.00 0.36 0.00 0.00 54.97 57.06 3i8h s GLU 77 Cb -0.20 -1.88 -0.07 0.00 0.26 0.00 0.00 34.13 32.24 3i8h s GLU 77 CO 0.56 -1.72 0.50 -0.65 -0.54 0.00 0.00 175.26 173.41 3i8h s GLN 78 N -4.88 3.85 0.02 4.30 -1.52 -1.26 -1.56 119.66 118.61 3i8h s GLN 78 Ca 0.62 0.32 -0.11 0.00 -1.95 0.00 0.00 55.36 54.23 3i8h s GLN 78 Cb -0.18 -2.85 -0.33 0.00 -0.22 0.00 0.00 33.01 29.43 3i8h s GLN 78 CO 0.56 0.45 0.95 0.28 -0.25 0.00 0.00 175.29 177.28 3i8h h VAL 79 N 2.52 1.24 -3.55 1.09 2.07 -1.90 -3.40 116.25 114.32 3i8h h VAL 79 Ca -0.48 -2.74 -0.70 0.00 0.82 0.00 0.00 66.70 63.60 3i8h h VAL 79 Cb 1.18 2.94 -0.31 0.00 -1.52 0.00 0.00 31.29 33.59 3i8h h VAL 79 CO 0.67 0.84 -0.56 -0.63 0.02 0.00 0.00 177.57 177.91 3i8h s ILE 80 N -2.61 3.61 -0.23 4.57 1.01 -1.26 -4.84 121.20 121.45 3i8h s ILE 80 Ca -0.09 -1.58 0.21 0.00 0.00 0.00 0.00 60.65 59.18 3i8h s ILE 80 Cb 0.05 -3.25 0.02 0.00 0.01 0.00 0.00 42.46 39.29 3i8h s ILE 80 CO 0.91 -0.45 1.09 0.45 0.00 0.00 0.00 174.94 176.95 3i8h h HIS 81 N 8.18 0.00 -1.95 3.97 3.86 -1.68 -3.47 115.15 124.07 3i8h h HIS 81 Ca -0.19 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.01 3i8h h HIS 81 Cb 1.07 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 29.32 3i8h h HIS 81 CO 0.59 0.17 0.13 -1.58 0.86 0.00 0.00 177.93 178.10 3i8h s HIS 82 N -3.21 -0.85 -0.34 2.45 5.65 -1.26 -4.99 115.29 112.74 3i8h s HIS 82 Ca 0.00 1.90 0.06 0.00 0.25 0.00 0.00 55.06 57.27 3i8h s HIS 82 Cb 0.09 0.40 0.18 0.00 -1.18 0.00 0.00 32.58 32.07 3i8h s HIS 82 CO 0.78 -0.41 0.55 -1.50 -0.65 0.00 0.00 174.74 173.50 3i8h s ILE 83 N 0.83 -0.86 0.12 0.89 2.07 -1.25 -0.18 121.20 122.82 3i8h s ILE 83 Ca -0.03 -0.17 0.10 0.00 -1.41 0.00 0.00 60.65 59.14 3i8h s ILE 83 Cb -0.05 -0.60 -0.04 0.00 0.13 0.00 0.00 42.46 41.90 3i8h s ILE 83 CO -0.07 -0.12 -0.25 0.00 -1.91 0.00 0.00 174.94 172.59 3i8h s ARG 84 N 2.26 1.31 0.41 3.50 1.70 -0.98 -4.80 118.95 122.35 3i8h s ARG 84 Ca 0.13 -1.29 -0.23 0.00 -0.47 0.00 0.00 55.73 53.86 3i8h s ARG 84 Cb -0.09 -1.74 -0.09 0.00 -0.57 0.00 0.00 34.95 32.46 3i8h s ARG 84 CO -0.17 0.41 1.03 0.50 -1.08 0.00 0.00 175.30 175.98 3i8h s ARG 85 N -2.02 4.17 0.00 3.89 3.52 -1.26 -2.76 118.95 124.48 3i8h s ARG 85 Ca 0.12 1.43 0.00 0.00 -0.13 0.00 0.00 55.73 57.15 3i8h s ARG 85 Cb -0.10 -2.47 0.00 0.00 -1.56 0.00 0.00 34.95 30.82 3i8h s ARG 85 CO 0.06 -0.12 0.00 -0.89 -0.81 0.00 0.00 175.30 173.53 3i8h n ILE 86 N -0.18 0.00 -1.62 4.11 2.08 -1.20 -4.88 119.36 117.66 3i8h n ILE 86 Ca 0.05 0.00 -0.46 0.00 0.56 0.00 0.00 62.75 62.90 3i8h n ILE 86 Cb 0.50 -0.48 -0.04 0.00 -0.75 0.00 0.00 39.64 38.87 3i8h n ILE 86 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 3i8h n SER 87 N -0.06 3.30 -4.75 4.38 2.88 -1.05 -4.85 113.62 113.47 3i8h n SER 87 Ca 0.00 0.67 -0.24 0.00 -1.33 0.00 0.00 58.87 57.97 3i8h n SER 87 Cb 0.00 -1.43 -0.07 0.00 -0.75 0.00 0.00 64.21 61.97 3i8h n SER 87 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3i8h s LYS 88 N 5.11 2.27 0.18 -1.46 1.02 -0.37 -4.78 119.74 121.71 3i8h s LYS 88 Ca 0.97 -1.75 -0.14 0.00 0.02 0.00 0.00 55.97 55.07 3i8h s LYS 88 Cb -0.59 -2.05 0.13 0.00 -0.52 0.00 0.00 37.83 34.80 3i8h s LYS 88 CO 0.45 -0.07 1.78 -1.00 -0.92 0.00 0.00 175.35 175.59 3i8h h PRO 89 N 1.43 0.43 0.00 -1.68 0.13 -1.94 -2.18 132.00 128.19 3i8h h PRO 89 Ca -0.43 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 3i8h h PRO 89 Cb 1.25 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3i8h h PRO 89 CO 0.67 0.29 -0.19 0.78 -0.23 0.00 0.00 178.00 179.32 3i8h h GLY 90 N 0.45 0.00 -6.52 1.56 0.00 -1.99 -3.39 103.07 93.18 3i8h h GLY 90 Ca 0.21 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 47.07 3i8h h GLY 90 CO -0.16 0.00 -0.77 -1.60 0.00 0.00 0.00 176.54 174.01 3i8h s ARG 91 N -3.75 0.52 0.46 4.80 3.52 -0.85 -5.13 118.95 118.52 3i8h s ARG 91 Ca -0.00 -0.96 -0.23 0.00 -0.13 0.00 0.00 55.73 54.40 3i8h s ARG 91 Cb 0.11 -1.02 -0.07 0.00 -1.56 0.00 0.00 34.95 32.41 3i8h s ARG 91 CO 0.62 -1.17 1.20 1.03 -0.81 0.00 0.00 175.30 176.17 3i8h s ARG 92 N 1.43 3.72 -0.34 5.12 1.81 -1.03 -1.23 118.95 128.43 3i8h s ARG 92 Ca 0.16 1.87 0.01 0.00 -1.72 0.00 0.00 55.73 56.05 3i8h s ARG 92 Cb -0.19 -2.44 0.10 0.00 -0.45 0.00 0.00 34.95 31.98 3i8h s ARG 92 CO -0.08 -0.61 0.10 0.08 -0.68 0.00 0.00 175.30 174.11 3i8h s VAL 93 N -1.48 1.51 -0.20 3.52 1.01 -1.26 -4.86 120.40 118.65 3i8h s VAL 93 Ca 0.63 -1.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.63 3i8h s VAL 93 Cb -0.31 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3i8h s VAL 93 CO 0.38 -0.67 0.01 -0.31 0.00 0.00 0.00 175.10 174.51 3i8h s TYR 94 N 1.16 3.07 0.01 5.22 2.02 -1.26 -1.71 117.35 125.86 3i8h s TYR 94 Ca 0.11 -0.35 0.07 0.00 -0.37 0.00 0.00 57.07 56.53 3i8h s TYR 94 Cb -0.19 -2.08 -0.03 0.00 -0.40 0.00 0.00 41.96 39.27 3i8h s TYR 94 CO -0.16 -0.16 -0.22 0.14 -1.57 0.00 0.00 175.55 173.58 3i8h s VAL 95 N 0.87 2.49 0.36 0.71 -7.23 -0.78 -4.97 120.40 111.85 3i8h s VAL 95 Ca 0.01 -1.15 -0.23 0.00 -1.81 0.00 0.00 61.98 58.81 3i8h s VAL 95 Cb -0.14 -1.97 -0.10 0.00 0.56 0.00 0.00 36.38 34.72 3i8h s VAL 95 CO 0.02 0.44 0.91 -0.83 -0.31 0.00 0.00 175.10 175.34 3i8h s GLY 96 N -1.07 2.59 0.21 2.32 0.00 -1.26 -2.33 107.32 107.77 3i8h s GLY 96 Ca 0.12 0.41 -0.21 0.00 0.00 0.00 0.00 44.72 45.04 3i8h s GLY 96 CO 0.02 0.76 1.55 -0.24 0.00 0.00 0.00 173.10 175.20 3i8h h VAL 97 N 2.29 0.02 0.00 1.40 3.04 -1.80 0.87 116.25 122.08 3i8h h VAL 97 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 3i8h h VAL 97 Cb 1.19 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 3i8h h VAL 97 CO 0.63 0.00 0.06 0.29 -1.01 0.00 0.00 177.57 177.55 3i8h n LYS 98 N -5.42 0.01 -0.58 4.17 5.02 -1.26 -0.94 118.16 119.16 3i8h n LYS 98 Ca 0.08 0.45 0.03 0.00 -2.02 0.00 0.00 58.31 56.85 3i8h n LYS 98 Cb 0.37 -1.59 0.24 0.00 -0.02 0.00 0.00 35.03 34.02 3i8h n LYS 98 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i8h n GLU 99 N -1.49 2.51 -2.98 1.97 1.02 0.30 -5.00 120.64 116.97 3i8h n GLU 99 Ca -0.00 -2.95 -0.41 0.00 -0.02 0.00 0.00 57.16 53.78 3i8h n GLU 99 Cb 0.06 -1.84 -0.05 0.00 -0.02 0.00 0.00 31.44 29.60 3i8h n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3i8h s ILE 100 N -2.98 4.96 0.57 -3.67 1.01 -0.12 -4.72 121.20 116.25 3i8h s ILE 100 Ca 0.43 1.50 -0.20 0.00 0.00 0.00 0.00 60.65 62.38 3i8h s ILE 100 Cb 0.37 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 3i8h s ILE 100 CO 0.06 0.11 1.11 -2.65 0.00 0.00 0.00 174.94 173.57 3i8h n PRO 101 N 4.72 1.17 -1.83 2.79 -0.02 -1.26 -4.97 135.00 135.61 3i8h n PRO 101 Ca 0.02 0.44 -0.37 0.00 -2.02 0.00 0.00 63.50 61.57 3i8h n PRO 101 Cb 0.50 -2.30 0.05 0.00 -0.02 0.00 0.00 33.50 31.72 3i8h n PRO 101 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3i8h n ARG 102 N -0.99 2.82 0.00 -0.52 1.85 -1.26 -4.89 116.66 113.68 3i8h n ARG 102 Ca 0.13 -3.57 0.00 0.00 -1.00 0.00 0.00 57.85 53.41 3i8h n ARG 102 Cb 0.46 -2.27 0.00 0.00 -1.05 0.00 0.00 32.46 29.59 3i8h n ARG 102 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3i8h n VAL 103 N -0.63 0.00 -3.76 8.89 0.31 -1.26 -1.38 118.33 120.49 3i8h n VAL 103 Ca 0.55 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.53 3i8h n VAL 103 Cb 0.39 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.36 3i8h n VAL 103 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i8h n ARG 104 N 0.00 -1.00 0.00 5.55 0.63 -1.26 -0.75 116.66 119.82 3i8h n ARG 104 Ca 0.00 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.32 3i8h n ARG 104 Cb 0.00 -3.76 0.00 0.00 0.45 0.00 0.00 32.46 29.15 3i8h n ARG 104 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3i8h n ARG 105 N -4.32 0.00 0.00 -0.14 0.00 -0.48 -0.14 116.66 111.58 3i8h n ARG 105 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 3i8h n ARG 105 Cb 0.58 -1.35 0.00 0.00 0.00 0.00 0.00 32.46 31.70 3i8h n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i8h n GLY 106 N 0.00 0.76 0.43 5.14 0.00 -0.75 -4.97 105.19 105.81 3i8h n GLY 106 Ca 0.00 -0.04 0.28 0.00 0.00 0.00 0.00 46.02 46.26 3i8h n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i8h h LEU 107 N 0.00 0.35-10.78 0.99 3.38 -0.55 -3.42 115.31 105.27 3i8h h LEU 107 Ca 0.00 0.09 -0.47 0.00 0.09 0.00 0.00 57.88 57.60 3i8h h LEU 107 Cb 0.00 0.04 0.11 0.00 0.09 0.00 0.00 40.66 40.91 3i8h h LEU 107 CO 0.00 -0.00 0.21 -0.83 0.09 0.00 0.00 178.44 177.91 3i8h s GLY 108 N -3.99 1.77 0.09 0.83 0.00 0.07 -4.98 107.32 101.10 3i8h s GLY 108 Ca -0.08 -1.72 0.07 0.00 0.00 0.00 0.00 44.72 43.00 3i8h s GLY 108 CO 0.81 -1.03 -0.19 -1.50 0.00 0.00 0.00 173.10 171.18 3i8h s ILE 109 N -3.40 1.53 -0.53 0.90 2.07 -0.02 -4.69 121.20 117.06 3i8h s ILE 109 Ca 0.70 -1.42 0.04 0.00 -1.41 0.00 0.00 60.65 58.56 3i8h s ILE 109 Cb -0.04 -1.40 0.16 0.00 0.13 0.00 0.00 42.46 41.32 3i8h s ILE 109 CO 0.48 -0.07 0.38 0.00 -1.91 0.00 0.00 174.94 173.82 3i8h s ALA 110 N -1.13 2.45 1.10 1.50 0.00 -1.26 -0.98 121.76 123.44 3i8h s ALA 110 Ca 0.04 -3.01 -0.16 0.00 0.00 0.00 0.00 51.96 48.84 3i8h s ALA 110 Cb -0.10 -1.86 0.15 0.00 0.00 0.00 0.00 23.12 21.31 3i8h s ALA 110 CO 0.03 -2.04 0.40 -0.89 0.00 0.00 0.00 175.76 173.27 3i8h n ILE 111 N 2.63 0.00 0.00 0.00 5.41 -0.91 -2.27 119.36 124.22 3i8h n ILE 111 Ca 0.22 -0.31 0.00 0.00 1.00 0.00 0.00 62.75 63.66 3i8h n ILE 111 Cb 0.41 -0.74 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 3i8h n ILE 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i8h n LEU 112 N -2.67 0.00 -4.76 1.39 -0.00 -0.81 -3.09 117.00 107.06 3i8h n LEU 112 Ca 0.03 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.68 3i8h n LEU 112 Cb 0.58 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.93 3i8h n LEU 112 CO 0.53 0.00 -0.09 -0.55 -0.00 0.00 0.00 177.39 177.28 3i8h s SER 113 N 0.00 6.38 0.24 1.45 0.15 -0.98 -1.34 113.70 119.60 3i8h s SER 113 Ca 0.00 0.44 -0.02 0.00 0.70 0.00 0.00 55.95 57.07 3i8h s SER 113 Cb 0.00 -2.14 -0.03 0.00 -1.71 0.00 0.00 66.02 62.14 3i8h s SER 113 CO 0.00 0.20 0.23 0.42 1.20 0.00 0.00 173.24 175.29 3i8h s THR 114 N 0.05 0.00 0.48 6.45 -4.23 0.39 -1.71 115.64 117.07 3i8h s THR 114 Ca 0.14 -1.88 0.23 0.00 -1.18 0.00 0.00 61.69 58.99 3i8h s THR 114 Cb -0.12 -2.46 0.40 0.00 1.34 0.00 0.00 72.50 71.66 3i8h s THR 114 CO 0.03 0.00 1.92 0.28 -0.54 0.00 0.00 174.62 176.31 3i8h h SER 115 N 2.46 0.19 -0.41 3.99 0.02 -1.99 0.21 113.55 118.01 3i8h h SER 115 Ca -0.32 0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.46 3i8h h SER 115 Cb 1.25 -0.02 -0.11 0.00 0.14 0.00 0.00 62.40 63.66 3i8h h SER 115 CO 0.47 0.09 0.23 0.29 -1.14 0.00 0.00 176.83 176.76 3i8h n LYS 116 N -4.41 1.89 0.00 3.45 4.76 -1.26 -5.02 118.16 117.58 3i8h n LYS 116 Ca 0.15 -1.41 0.00 0.00 -2.87 0.00 0.00 58.31 54.18 3i8h n LYS 116 Cb 0.69 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 3i8h n LYS 116 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i8h n GLY 117 N -0.12 -1.07 3.44 0.72 0.00 0.73 -4.74 105.19 104.16 3i8h n GLY 117 Ca 0.24 -1.46 -0.44 0.00 0.00 0.00 0.00 46.02 44.37 3i8h n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8h s VAL 118 N 0.00 4.70 0.16 1.61 1.01 -1.26 -0.46 120.40 126.16 3i8h s VAL 118 Ca 0.00 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.58 3i8h s VAL 118 Cb 0.00 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 3i8h s VAL 118 CO 0.00 -1.03 -0.03 -0.76 0.00 0.00 0.00 175.10 173.28 3i8h s LEU 119 N 3.07 3.25 0.00 3.92 1.43 -0.45 -4.93 118.68 124.97 3i8h s LEU 119 Ca 0.18 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 52.83 3i8h s LEU 119 Cb -0.19 -1.93 0.16 0.00 0.03 0.00 0.00 46.19 44.26 3i8h s LEU 119 CO 0.11 0.11 1.04 0.35 0.23 0.00 0.00 176.35 178.19 3i8h n THR 120 N 0.09 0.00 0.12 5.49 -2.24 -1.26 -1.93 114.28 114.55 3i8h n THR 120 Ca -0.10 -1.27 -0.12 0.00 -2.27 0.00 0.00 64.05 60.29 3i8h n THR 120 Cb 0.54 -1.15 -0.07 0.00 -2.10 0.00 0.00 70.33 67.56 3i8h n THR 120 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3i8h h ASP 121 N -0.93 -1.06 -0.77 3.42 2.03 -1.78 -0.64 116.42 116.69 3i8h h ASP 121 Ca -0.34 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.07 3i8h h ASP 121 Cb 1.12 0.38 -0.04 0.00 -0.83 0.00 0.00 39.33 39.96 3i8h h ASP 121 CO 0.31 -0.41 0.49 0.03 -1.03 0.00 0.00 179.24 178.63 3i8h h ARG 122 N -0.59 1.03 0.27 4.15 3.08 -1.94 -1.96 114.38 118.43 3i8h h ARG 122 Ca -0.02 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3i8h h ARG 122 Cb 0.56 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3i8h h ARG 122 CO -0.15 0.70 -0.15 0.93 -1.07 0.00 0.00 179.97 180.23 3i8h h GLU 123 N 1.06 -0.38 -0.73 0.04 5.08 -1.87 -1.24 114.58 116.54 3i8h h GLU 123 Ca 0.28 0.03 0.21 0.00 -1.00 0.00 0.00 59.36 58.88 3i8h h GLU 123 Cb -0.09 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3i8h h GLU 123 CO -0.06 -0.25 0.73 0.00 -1.00 0.00 0.00 179.01 178.43 3i8h h ALA 124 N -1.72 2.54 -0.06 3.43 0.00 -1.05 0.37 119.26 122.77 3i8h h ALA 124 Ca -0.04 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3i8h h ALA 124 Cb 0.31 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.16 3i8h h ALA 124 CO 0.05 -1.10 -0.49 -0.09 0.00 0.00 0.00 179.25 177.62 3i8h h ARG 125 N 0.00 0.43 -0.20 0.00 2.43 -0.92 0.30 114.38 116.42 3i8h h ARG 125 Ca 0.35 -0.39 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 3i8h h ARG 125 Cb 1.79 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 31.43 3i8h h ARG 125 CO -0.00 1.03 -0.17 -0.22 -1.51 0.00 0.00 179.97 179.10 3i8h h LYS 126 N -0.04 0.47 -0.16 0.20 3.64 0.87 -2.58 116.57 118.97 3i8h h LYS 126 Ca -0.05 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 59.07 3i8h h LYS 126 Cb 1.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 3i8h h LYS 126 CO 0.10 0.80 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.99 3i8h h LEU 127 N 0.14 0.21 -2.84 5.20 -0.00 -1.26 -3.47 115.31 113.29 3i8h h LEU 127 Ca 0.03 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 3i8h h LEU 127 Cb 0.70 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 3i8h h LEU 127 CO 0.04 0.28 0.00 0.61 -0.00 0.00 0.00 178.44 179.37 3i8h n GLY 128 N -1.15 -0.45 0.00 0.83 0.00 -0.52 -5.08 105.19 98.82 3i8h n GLY 128 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3i8h n GLY 128 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i8h n VAL 129 N -0.68 0.00 0.00 1.61 0.24 -0.02 -5.03 118.33 114.45 3i8h n VAL 129 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i8h n VAL 129 Cb 0.21 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 3i8h n VAL 129 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i8h n GLY 130 N 0.00 2.62 0.00 7.63 0.00 -1.26 -2.23 105.19 111.95 3i8h n GLY 130 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3i8h n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8h n GLY 131 N 0.19 -0.60 3.56 -0.02 0.00 -0.99 -4.57 105.19 102.77 3i8h n GLY 131 Ca 0.00 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 3i8h n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i8h s GLU 132 N -0.99 2.23 -0.86 1.61 2.12 -0.69 -1.87 118.70 120.24 3i8h s GLU 132 Ca 0.00 -0.20 -0.21 0.00 0.36 0.00 0.00 54.97 54.92 3i8h s GLU 132 Cb 0.00 -5.01 -0.22 0.00 0.26 0.00 0.00 34.13 29.16 3i8h s GLU 132 CO 0.00 -3.84 2.38 -0.11 -0.54 0.00 0.00 175.26 173.15 3i8h n LEU 133 N 15.55 0.39 -0.17 2.70 0.00 -0.70 -2.32 117.00 132.45 3i8h n LEU 133 Ca 0.42 -0.65 -0.06 0.00 0.00 0.00 0.00 56.01 55.72 3i8h n LEU 133 Cb 0.46 -1.09 0.03 0.00 0.00 0.00 0.00 43.42 42.82 3i8h n LEU 133 CO 0.59 -1.64 1.07 0.40 0.00 0.00 0.00 177.39 177.81 3i8h h ILE 134 N 7.51 1.08 -1.58 1.96 1.08 -1.85 -2.78 117.51 122.93 3i8h h ILE 134 Ca -0.03 -0.22 0.15 0.00 -0.39 0.00 0.00 64.86 64.37 3i8h h ILE 134 Cb 1.15 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 35.27 3i8h h ILE 134 CO 1.33 0.12 0.39 0.00 -0.69 0.00 0.00 178.15 179.30 3i8h s GLU 136 N -2.01 0.21 -0.02 0.00 -1.05 -1.11 -2.14 118.70 112.59 3i8h s GLU 136 Ca 0.13 -0.16 -0.08 0.00 -0.15 0.00 0.00 54.97 54.71 3i8h s GLU 136 Cb -0.00 0.09 0.01 0.00 -0.44 0.00 0.00 34.13 33.78 3i8h s GLU 136 CO -0.00 -0.04 0.17 0.08 0.95 0.00 0.00 175.26 176.42 3i8h s VAL 137 N -0.57 0.06 0.00 1.83 1.01 -0.15 -2.32 120.40 120.26 3i8h s VAL 137 Ca -0.06 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3i8h s VAL 137 Cb -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.92 3i8h s VAL 137 CO 0.00 -0.28 0.00 -2.67 0.00 0.00 0.00 175.10 172.15