#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3irb s GLU 9 N 0.00 4.37 0.30 1.64 -1.05 -1.26 -5.04 118.70 117.65 3irb s GLU 9 Ca 0.00 1.56 -0.01 0.00 -0.15 0.00 0.00 54.97 56.38 3irb s GLU 9 Cb 0.00 -2.77 0.06 0.00 -0.44 0.00 0.00 34.13 30.98 3irb s GLU 9 CO 0.00 0.03 0.41 0.41 0.95 0.00 0.00 175.26 177.06 3irb n GLY 10 N 0.63 0.48 0.18 -3.83 0.00 -1.26 -4.85 105.19 96.54 3irb n GLY 10 Ca 0.03 -1.95 -0.01 0.00 0.00 0.00 0.00 46.02 44.09 3irb n GLY 10 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3irb h SER 11 N -0.29 0.13 -0.41 1.61 4.64 -1.93 -1.30 113.55 116.00 3irb h SER 11 Ca -0.14 -0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 61.00 3irb h SER 11 Cb 0.48 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 3irb h SER 11 CO 0.14 0.58 -0.22 -0.07 -0.87 0.00 0.00 176.83 176.39 3irb h LEU 12 N 0.10 0.90 -0.35 5.97 3.38 -1.94 -1.06 115.31 122.31 3irb h LEU 12 Ca 0.00 -0.41 -0.18 0.00 0.09 0.00 0.00 57.88 57.38 3irb h LEU 12 Cb 0.86 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 3irb h LEU 12 CO 0.07 1.12 -0.60 0.25 0.09 0.00 0.00 178.44 179.36 3irb h LEU 13 N 0.68 0.82 -0.41 1.67 5.85 -1.90 -0.59 115.31 121.43 3irb h LEU 13 Ca 0.09 -0.46 0.04 0.00 0.84 0.00 0.00 57.88 58.38 3irb h LEU 13 Cb 0.79 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3irb h LEU 13 CO 0.06 1.23 0.19 -0.09 -0.34 0.00 0.00 178.44 179.50 3irb h ARG 14 N 0.54 0.38 -0.47 1.25 1.12 -1.12 0.43 114.38 116.52 3irb h ARG 14 Ca -0.00 -0.02 -0.11 0.00 -1.11 0.00 0.00 59.98 58.74 3irb h ARG 14 Cb 1.19 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 31.05 3irb h ARG 14 CO 0.12 0.25 -0.14 -1.49 -3.11 0.00 0.00 179.97 175.61 3irb h TRP 15 N 0.39 0.98 -0.52 2.20 4.06 -0.96 -1.75 115.95 120.34 3irb h TRP 15 Ca 0.18 -0.20 0.05 0.00 2.06 0.00 0.00 58.89 60.98 3irb h TRP 15 Cb 0.10 -0.24 -0.04 0.00 -1.00 0.00 0.00 29.16 27.98 3irb h TRP 15 CO -0.11 0.95 0.27 -0.92 -3.56 0.00 0.00 178.44 175.07 3irb h TYR 16 N 0.78 0.49 -0.41 0.49 3.20 -0.50 -2.96 116.97 118.06 3irb h TYR 16 Ca 0.12 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.02 3irb h TYR 16 Cb 0.66 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 3irb h TYR 16 CO 0.04 0.24 0.26 -0.44 -1.64 0.00 0.00 178.16 176.61 3irb h ASP 17 N 0.52 0.43 0.00 -2.11 3.32 -0.48 0.10 116.42 118.20 3irb h ASP 17 Ca 0.23 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3irb h ASP 17 Cb 0.14 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3irb h ASP 17 CO -0.16 0.31 0.00 0.52 -1.72 0.00 0.00 179.24 178.19 3irb n VAL 18 N -4.83 0.02 0.00 -1.35 0.31 -0.70 -1.04 118.33 110.74 3irb n VAL 18 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3irb n VAL 18 Cb 0.04 -0.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 3irb n VAL 18 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3irb n GLU 20 N 0.56 0.00 -0.26 5.55 -0.58 0.36 -1.93 120.64 124.34 3irb n GLU 20 Ca 0.00 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.76 3irb n GLU 20 Cb 0.03 0.00 0.15 0.00 -0.57 0.00 0.00 31.44 31.05 3irb n GLU 20 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3irb h ALA 21 N 0.00 1.04 -0.39 0.62 0.00 -1.34 -2.53 119.26 116.67 3irb h ALA 21 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3irb h ALA 21 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3irb h ALA 21 CO 0.00 -0.01 -0.14 0.93 0.00 0.00 0.00 179.25 180.02 3irb h GLU 22 N 0.65 0.70 -0.59 0.00 5.08 -1.65 -2.75 114.58 116.02 3irb h GLU 22 Ca 0.37 -0.24 0.12 0.00 -1.00 0.00 0.00 59.36 58.61 3irb h GLU 22 Cb 0.38 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.48 3irb h GLU 22 CO -0.27 0.81 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.46 3irb h ARG 23 N 0.63 0.11 -0.18 2.33 2.43 -1.74 0.01 114.38 117.97 3irb h ARG 23 Ca 0.10 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.12 3irb h ARG 23 Cb 0.61 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3irb h ARG 23 CO 0.04 0.07 -0.50 1.88 -1.51 0.00 0.00 179.97 179.95 3irb h TYR 24 N 0.11 0.60 -0.25 2.20 0.05 -1.46 -0.82 116.97 117.40 3irb h TYR 24 Ca 0.30 -0.20 0.01 0.00 0.05 0.00 0.00 58.73 58.90 3irb h TYR 24 Cb 0.48 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 3irb h TYR 24 CO -0.36 0.89 0.14 0.93 -1.05 0.00 0.00 178.16 178.71 3irb h GLU 25 N 0.39 0.28 0.00 4.88 5.08 -1.11 -2.45 114.58 121.64 3irb h GLU 25 Ca 0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3irb h GLU 25 Cb 1.02 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 3irb h GLU 25 CO 0.09 0.19 -0.16 1.88 -1.00 0.00 0.00 179.01 180.01 3irb h TYR 26 N 0.29 0.00 -0.03 4.33 0.05 -0.72 -3.23 116.97 117.67 3irb h TYR 26 Ca 0.10 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.76 3irb h TYR 26 Cb 0.01 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 3irb h TYR 26 CO -0.08 0.16 -0.55 1.15 -1.05 0.00 0.00 178.16 177.79 3irb h THR 27 N 0.00 1.39 -2.83 -2.88 2.02 -0.65 -3.32 112.91 106.64 3irb h THR 27 Ca -0.00 -1.87 -0.55 0.00 0.77 0.00 0.00 66.41 64.75 3irb h THR 27 Cb 0.43 1.98 0.08 0.00 -1.74 0.00 0.00 68.15 68.90 3irb h THR 27 CO 0.02 0.54 0.82 0.52 0.37 0.00 0.00 175.52 177.79 3irb n VAL 28 N -3.90 0.64 0.00 3.16 0.31 -1.21 -3.81 118.33 113.52 3irb n VAL 28 Ca -0.02 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3irb n VAL 28 Cb 0.56 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 3irb n VAL 28 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3irb n GLY 29 N 2.71 -0.58 0.19 2.92 0.00 -1.26 -3.93 105.19 105.25 3irb n GLY 29 Ca 0.12 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3irb n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3irb h PRO 30 N 0.00 0.12 -0.30 1.61 0.13 -1.98 -2.17 132.00 129.41 3irb h PRO 30 Ca 0.00 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.99 3irb h PRO 30 Cb 0.00 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3irb h PRO 30 CO 0.00 0.49 -0.14 0.00 -0.23 0.00 0.00 178.00 178.12 3irb h ALA 31 N 1.50 0.43 -0.70 -0.56 0.00 -1.88 -1.28 119.26 116.77 3irb h ALA 31 Ca 0.01 -0.33 0.12 0.00 0.00 0.00 0.00 54.91 54.72 3irb h ALA 31 Cb 0.73 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 3irb h ALA 31 CO 0.05 0.31 0.27 0.78 0.00 0.00 0.00 179.25 180.67 3irb h GLY 32 N 0.39 1.03 0.96 0.00 0.00 -1.62 0.70 103.07 104.53 3irb h GLY 32 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 3irb h GLY 32 CO 0.04 -0.07 0.18 1.05 0.00 0.00 0.00 176.54 177.74 3irb h GLU 33 N 0.43 0.67 -0.50 4.80 9.09 -1.07 -1.50 114.58 126.51 3irb h GLU 33 Ca 0.37 -0.12 0.00 0.00 0.05 0.00 0.00 59.36 59.66 3irb h GLU 33 Cb 0.53 -0.11 -0.02 0.00 -1.65 0.00 0.00 28.75 27.50 3irb h GLU 33 CO -0.37 0.62 0.31 1.96 0.05 0.00 0.00 179.01 181.58 3irb h GLN 34 N 0.58 0.67 0.39 1.06 1.08 -0.64 -0.28 115.11 117.97 3irb h GLN 34 Ca 0.15 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 3irb h GLN 34 Cb 0.20 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 3irb h GLN 34 CO -0.01 0.47 -0.27 0.35 -0.95 0.00 0.00 178.83 178.43 3irb h PHE 35 N 0.67 -0.70 -0.16 2.96 3.57 -0.60 0.15 116.94 122.83 3irb h PHE 35 Ca 0.18 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 3irb h PHE 35 Cb -0.04 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3irb h PHE 35 CO -0.03 -0.40 -0.44 0.74 -2.23 0.00 0.00 178.31 175.95 3irb h PHE 36 N -0.64 0.47 -0.87 0.41 0.04 -1.17 -1.67 116.94 113.51 3irb h PHE 36 Ca -0.04 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.60 3irb h PHE 36 Cb 0.54 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.55 3irb h PHE 36 CO -0.12 0.77 0.56 -0.91 -0.60 0.00 0.00 178.31 178.01 3irb h ASN 37 N 0.32 1.01 -0.62 2.17 2.35 -1.02 -2.81 115.58 116.99 3irb h ASN 37 Ca 0.02 -0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.77 3irb h ASN 37 Cb 0.90 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.98 3irb h ASN 37 CO 0.08 0.75 0.37 1.23 -1.65 0.00 0.00 177.43 178.21 3irb h GLY 38 N 1.18 0.89 1.11 2.83 0.00 -0.28 -2.54 103.07 106.27 3irb h GLY 38 Ca 0.32 -0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.40 3irb h GLY 38 CO -0.07 0.22 0.54 1.41 0.00 0.00 0.00 176.54 178.64 3irb h LEU 39 N 0.72 0.88 -2.44 3.11 3.38 -1.15 0.40 115.31 120.21 3irb h LEU 39 Ca 0.26 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3irb h LEU 39 Cb 0.06 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3irb h LEU 39 CO -0.12 0.62 -0.03 0.11 0.09 0.00 0.00 178.44 179.11 3irb h LYS 40 N 1.03 0.00 -0.55 1.13 1.57 -1.20 -1.81 116.57 116.74 3irb h LYS 40 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3irb h LYS 40 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3irb h LYS 40 CO -0.09 0.03 0.00 1.04 -0.57 0.00 0.00 179.45 179.86 3irb n GLN 41 N -3.56 4.30 -3.77 3.15 6.02 -0.05 -4.95 117.38 118.52 3irb n GLN 41 Ca -0.03 -3.04 -0.27 0.00 -0.01 0.00 0.00 57.00 53.66 3irb n GLN 41 Cb 0.12 -2.10 0.05 0.00 1.02 0.00 0.00 30.24 29.34 3irb n GLN 41 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3irb n ASN 42 N 0.59 -4.95 -4.30 1.08 3.02 -0.68 -5.02 115.26 105.00 3irb n ASN 42 Ca 0.26 -0.69 -0.22 0.00 -0.03 0.00 0.00 54.58 53.90 3irb n ASN 42 Cb 1.07 -4.35 -0.12 0.00 -0.61 0.00 0.00 39.78 35.77 3irb n ASN 42 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3irb s LYS 43 N -6.41 1.19 -0.30 3.52 1.02 -0.15 -5.00 119.74 113.60 3irb s LYS 43 Ca 0.56 -1.30 -0.08 0.00 0.02 0.00 0.00 55.97 55.17 3irb s LYS 43 Cb -0.27 -1.29 0.00 0.00 -0.52 0.00 0.00 37.83 35.76 3irb s LYS 43 CO 0.79 0.28 0.11 0.42 -0.92 0.00 0.00 175.35 176.02 3irb s ILE 44 N -1.74 4.17 -0.20 2.17 -1.09 -1.26 -2.81 121.20 120.44 3irb s ILE 44 Ca 0.11 -0.62 -0.05 0.00 -2.23 0.00 0.00 60.65 57.87 3irb s ILE 44 Cb -0.07 -3.15 -0.02 0.00 -1.58 0.00 0.00 42.46 37.64 3irb s ILE 44 CO 0.05 0.07 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.18 3irb s ILE 45 N 1.54 3.80 0.52 2.92 -1.09 -1.26 -0.62 121.20 127.00 3irb s ILE 45 Ca 0.03 -0.36 0.04 0.00 -2.23 0.00 0.00 60.65 58.13 3irb s ILE 45 Cb -0.17 -2.71 0.01 0.00 -1.58 0.00 0.00 42.46 38.00 3irb s ILE 45 CO 0.04 0.43 0.26 -0.83 -1.23 0.00 0.00 174.94 173.61 3irb s GLY 46 N 1.04 2.55 0.17 6.18 0.00 0.03 -2.61 107.32 114.68 3irb s GLY 46 Ca 0.02 -1.12 0.09 0.00 0.00 0.00 0.00 44.72 43.70 3irb s GLY 46 CO 0.01 -2.01 -0.19 -1.35 0.00 0.00 0.00 173.10 169.57 3irb s SER 47 N -4.12 2.76 -0.15 1.64 1.04 -0.70 -0.91 113.70 113.26 3irb s SER 47 Ca 0.27 -0.87 -0.00 0.00 0.48 0.00 0.00 55.95 55.83 3irb s SER 47 Cb -0.00 -0.17 0.03 0.00 0.10 0.00 0.00 66.02 65.98 3irb s SER 47 CO 0.16 -0.02 -0.08 -0.75 0.98 0.00 0.00 173.24 173.53 3irb s LYS 48 N -2.83 1.71 0.09 4.02 2.20 -0.09 -0.31 119.74 124.54 3irb s LYS 48 Ca 0.17 -0.51 -0.31 0.00 -0.36 0.00 0.00 55.97 54.96 3irb s LYS 48 Cb -0.06 -1.98 -0.08 0.00 -1.51 0.00 0.00 37.83 34.20 3irb s LYS 48 CO 0.07 -0.35 1.49 0.00 -0.36 0.00 0.00 175.35 176.20 3irb h SER 50 N 7.34 0.00 0.29 0.00 4.64 -1.90 0.20 113.55 124.12 3irb h SER 50 Ca -0.42 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.57 3irb h SER 50 Cb 1.20 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3irb h SER 50 CO 0.90 0.00 -1.65 0.50 -0.87 0.00 0.00 176.83 175.70 3irb h LYS 51 N 0.00 0.36 -0.00 4.77 3.64 -1.94 -3.39 116.57 120.01 3irb h LYS 51 Ca 0.00 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 3irb h LYS 51 Cb 0.79 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3irb h LYS 51 CO 0.00 1.27 -0.11 0.00 -2.27 0.00 0.00 179.45 178.34 3irb n GLY 53 N 0.80 0.86 3.77 0.00 0.00 0.72 -5.00 105.19 106.33 3irb n GLY 53 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3irb n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3irb s ARG 54 N -0.24 4.13 -0.17 1.61 0.52 -1.26 -4.68 118.95 118.86 3irb s ARG 54 Ca 0.00 2.55 -0.05 0.00 -0.52 0.00 0.00 55.73 57.72 3irb s ARG 54 Cb 0.00 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.45 3irb s ARG 54 CO 0.00 -0.54 -0.01 0.42 0.02 0.00 0.00 175.30 175.19 3irb s ILE 55 N -0.79 4.03 -0.06 1.52 1.01 -1.26 -1.16 121.20 124.48 3irb s ILE 55 Ca 0.56 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.92 3irb s ILE 55 Cb -0.46 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 3irb s ILE 55 CO 0.58 0.47 -0.11 -0.36 0.00 0.00 0.00 174.94 175.52 3irb s PHE 56 N 0.55 2.82 -0.03 3.97 0.08 0.57 -0.28 117.98 125.65 3irb s PHE 56 Ca -0.02 -0.10 0.02 0.00 0.12 0.00 0.00 56.93 56.96 3irb s PHE 56 Cb -0.14 -1.68 0.01 0.00 -0.57 0.00 0.00 43.02 40.64 3irb s PHE 56 CO 0.02 0.23 -0.09 0.08 -0.10 0.00 0.00 175.22 175.36 3irb s VAL 57 N -0.70 0.80 0.85 -0.44 1.01 -0.37 -1.72 120.40 119.83 3irb s VAL 57 Ca 0.11 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 3irb s VAL 57 Cb -0.11 -0.73 0.11 0.00 0.00 0.00 0.00 36.38 35.65 3irb s VAL 57 CO 0.01 0.26 1.18 -2.84 0.00 0.00 0.00 175.10 173.71 3irb s PRO 58 N 0.33 1.38 0.35 2.72 0.02 -1.26 -2.29 135.00 136.25 3irb s PRO 58 Ca -0.06 1.68 -0.26 0.00 0.02 0.00 0.00 61.00 62.39 3irb s PRO 58 Cb -0.10 -1.75 -0.13 0.00 0.02 0.00 0.00 34.50 32.53 3irb s PRO 58 CO 0.01 -2.39 0.86 0.00 -0.33 0.00 0.00 177.00 175.14 3irb n ALA 59 N -3.68 -0.64 -2.34 -1.55 0.00 -1.07 -4.74 120.51 106.49 3irb n ALA 59 Ca 0.13 0.30 -0.11 0.00 0.00 0.00 0.00 53.44 53.76 3irb n ALA 59 Cb 0.51 -1.94 -0.10 0.00 0.00 0.00 0.00 19.45 17.91 3irb n ALA 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3irb s ARG 60 N -1.63 0.74 0.00 0.00 1.70 -1.26 -4.23 118.95 114.26 3irb s ARG 60 Ca 0.61 -1.18 0.23 0.00 -0.47 0.00 0.00 55.73 54.92 3irb s ARG 60 Cb -0.66 -0.20 0.10 0.00 -0.57 0.00 0.00 34.95 33.62 3irb s ARG 60 CO 0.58 -0.01 1.16 -1.13 -1.08 0.00 0.00 175.30 174.83 3irb n SER 61 N 0.34 2.09 -3.87 -2.89 3.41 -1.26 -4.69 113.62 106.75 3irb n SER 61 Ca -0.15 -1.54 -0.12 0.00 -0.26 0.00 0.00 58.87 56.80 3irb n SER 61 Cb 0.59 0.37 -0.13 0.00 -0.26 0.00 0.00 64.21 64.78 3irb n SER 61 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3irb s TYR 62 N -2.40 -0.02 -0.34 7.33 5.04 -1.26 -0.45 117.35 125.25 3irb s TYR 62 Ca 0.21 0.04 -0.08 0.00 -2.44 0.00 0.00 57.07 54.80 3irb s TYR 62 Cb 0.19 -0.00 0.03 0.00 0.35 0.00 0.00 41.96 42.52 3irb s TYR 62 CO 0.52 -0.04 0.13 0.00 -1.34 0.00 0.00 175.55 174.83 3irb h GLU 64 N 8.30 0.00 -0.23 0.00 4.57 -1.97 0.83 114.58 126.07 3irb h GLU 64 Ca -0.26 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 57.86 3irb h GLU 64 Cb 1.10 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 3irb h GLU 64 CO 0.62 0.00 -0.08 0.45 -1.18 0.00 0.00 179.01 178.82 3irb h HIS 65 N 0.00 0.52 0.00 0.92 3.86 -1.96 -3.33 115.15 115.16 3irb h HIS 65 Ca 0.00 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3irb h HIS 65 Cb 0.69 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.03 3irb h HIS 65 CO 0.00 0.71 -1.19 0.00 0.86 0.00 0.00 177.93 178.30 3irb n PHE 67 N -1.83 -2.34 -3.94 0.00 3.72 0.27 -5.03 117.46 108.30 3irb n PHE 67 Ca 0.02 0.93 -0.10 0.00 -0.05 0.00 0.00 57.45 58.25 3irb n PHE 67 Cb 0.42 -4.96 -0.10 0.00 -0.94 0.00 0.00 39.48 33.90 3irb n PHE 67 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3irb s VAL 68 N -3.34 0.11 0.46 -4.37 -7.23 -1.14 -5.00 120.40 99.90 3irb s VAL 68 Ca 0.19 -0.93 -0.24 0.00 -1.81 0.00 0.00 61.98 59.18 3irb s VAL 68 Cb -0.08 -0.50 -0.07 0.00 0.56 0.00 0.00 36.38 36.28 3irb s VAL 68 CO 0.71 -0.51 1.34 -0.75 -0.31 0.00 0.00 175.10 175.57 3irb s LYS 69 N -1.80 3.66 -0.17 4.82 2.36 -1.26 -0.40 119.74 126.94 3irb s LYS 69 Ca -0.12 2.22 -0.05 0.00 -2.55 0.00 0.00 55.97 55.47 3irb s LYS 69 Cb -0.07 -2.57 -0.03 0.00 -1.05 0.00 0.00 37.83 34.12 3irb s LYS 69 CO -0.01 -0.77 -0.01 0.42 1.55 0.00 0.00 175.35 176.53 3irb s ILE 70 N -1.28 4.10 -0.04 5.43 1.01 0.40 -4.80 121.20 126.01 3irb s ILE 70 Ca 0.62 -0.28 0.06 0.00 0.00 0.00 0.00 60.65 61.06 3irb s ILE 70 Cb -0.39 -2.83 -0.09 0.00 0.01 0.00 0.00 42.46 39.16 3irb s ILE 70 CO 0.49 0.47 0.15 -0.62 0.00 0.00 0.00 174.94 175.43 3irb n GLU 71 N 3.74 0.85 -3.65 2.79 -0.58 -1.26 -4.65 120.64 117.88 3irb n GLU 71 Ca -0.17 -0.05 -0.36 0.00 -0.42 0.00 0.00 57.16 56.16 3irb n GLU 71 Cb 0.52 -1.09 -0.08 0.00 -0.57 0.00 0.00 31.44 30.22 3irb n GLU 71 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3irb s ASN 72 N -2.53 6.24 0.02 1.62 0.02 -1.26 -5.03 114.94 114.02 3irb s ASN 72 Ca -0.02 0.27 0.02 0.00 -1.02 0.00 0.00 52.86 52.12 3irb s ASN 72 Cb 0.04 -2.12 -0.04 0.00 0.02 0.00 0.00 41.25 39.15 3irb s ASN 72 CO 0.25 0.12 0.00 -0.31 0.02 0.00 0.00 177.10 177.18 3irb s TYR 73 N 0.64 3.05 0.01 2.20 2.02 -1.26 -0.91 117.35 123.10 3irb s TYR 73 Ca 0.10 0.05 0.01 0.00 -0.37 0.00 0.00 57.07 56.87 3irb s TYR 73 Cb -0.12 -1.63 -0.01 0.00 -0.40 0.00 0.00 41.96 39.79 3irb s TYR 73 CO 0.02 0.46 -0.05 0.14 -1.57 0.00 0.00 175.55 174.55 3irb s VAL 74 N -1.15 0.38 -0.12 0.71 -7.23 -0.09 -4.93 120.40 107.98 3irb s VAL 74 Ca 0.21 -0.45 -0.27 0.00 -1.81 0.00 0.00 61.98 59.67 3irb s VAL 74 Cb -0.12 -0.37 -0.02 0.00 0.56 0.00 0.00 36.38 36.44 3irb s VAL 74 CO 0.13 -0.05 0.88 -0.70 -0.31 0.00 0.00 175.10 175.05 3irb s GLU 75 N -0.54 4.38 0.18 4.82 2.12 -1.26 -0.79 118.70 127.61 3irb s GLU 75 Ca -0.02 1.15 -0.24 0.00 0.36 0.00 0.00 54.97 56.23 3irb s GLU 75 Cb -0.04 -3.53 -0.08 0.00 0.26 0.00 0.00 34.13 30.73 3irb s GLU 75 CO -0.00 -0.24 0.76 0.42 -0.54 0.00 0.00 175.26 175.66 3irb s ILE 76 N 1.79 4.43 -0.49 -3.70 1.01 0.20 -4.95 121.20 119.50 3irb s ILE 76 Ca 0.43 1.57 -0.27 0.00 0.00 0.00 0.00 60.65 62.38 3irb s ILE 76 Cb -0.18 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 3irb s ILE 76 CO 0.16 0.43 1.82 0.21 0.00 0.00 0.00 174.94 177.56 3irb s ASN 77 N -1.29 5.56 0.42 3.58 3.84 -1.26 -4.59 114.94 121.20 3irb s ASN 77 Ca 0.38 0.75 0.17 0.00 0.21 0.00 0.00 52.86 54.37 3irb s ASN 77 Cb -0.21 -2.53 0.93 0.00 -0.55 0.00 0.00 41.25 38.89 3irb s ASN 77 CO 0.24 -2.07 1.90 0.07 -2.79 0.00 0.00 177.10 174.45 3irb h LYS 78 N 13.96 0.00 0.00 0.43 2.10 -1.94 -1.94 116.57 129.18 3irb h LYS 78 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 3irb h LYS 78 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3irb h LYS 78 CO 1.14 0.28 0.00 -0.25 -2.00 0.00 0.00 179.45 178.62 3irb n ASP 79 N -3.96 0.00 -1.13 7.07 8.00 -1.26 -2.49 116.55 122.78 3irb n ASP 79 Ca -0.02 0.32 0.09 0.00 0.71 0.00 0.00 54.79 55.89 3irb n ASP 79 Cb 0.35 -0.38 0.27 0.00 -0.02 0.00 0.00 41.12 41.34 3irb n ASP 79 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3irb n GLU 80 N -1.38 2.88 -1.86 -1.24 1.02 -0.73 -4.95 120.64 114.38 3irb n GLU 80 Ca 0.03 -2.49 -0.41 0.00 -0.02 0.00 0.00 57.16 54.27 3irb n GLU 80 Cb 0.08 -1.51 -0.01 0.00 -0.02 0.00 0.00 31.44 29.98 3irb n GLU 80 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3irb s ALA 81 N -1.12 3.64 0.05 0.62 0.00 -1.04 -4.36 121.76 119.55 3irb s ALA 81 Ca 0.41 1.51 -0.00 0.00 0.00 0.00 0.00 51.96 53.87 3irb s ALA 81 Cb 0.22 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 3irb s ALA 81 CO 0.26 -0.94 -0.04 1.52 0.00 0.00 0.00 175.76 176.56 3irb s TYR 82 N -0.56 0.55 -0.25 0.00 1.13 -0.07 -0.99 117.35 117.16 3irb s TYR 82 Ca 0.57 -0.90 -0.28 0.00 -1.41 0.00 0.00 57.07 55.05 3irb s TYR 82 Cb -0.46 -0.38 0.01 0.00 -1.10 0.00 0.00 41.96 40.04 3irb s TYR 82 CO 0.54 -0.28 1.00 0.08 -2.51 0.00 0.00 175.55 174.38 3irb s VAL 83 N -3.24 4.69 -0.09 -3.49 1.01 -0.17 -0.91 120.40 118.20 3irb s VAL 83 Ca 0.02 1.89 0.01 0.00 0.00 0.00 0.00 61.98 63.90 3irb s VAL 83 Cb 0.03 -4.29 -0.25 0.00 0.00 0.00 0.00 36.38 31.87 3irb s VAL 83 CO -0.07 -0.21 0.49 -0.67 0.00 0.00 0.00 175.10 174.64 3irb n ASP 84 N 6.34 1.64 -3.58 3.32 2.03 0.07 -0.41 116.55 125.95 3irb n ASP 84 Ca 0.11 0.29 -0.05 0.00 0.52 0.00 0.00 54.79 55.66 3irb n ASP 84 Cb 0.46 -0.55 -0.02 0.00 -0.72 0.00 0.00 41.12 40.29 3irb n ASP 84 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3irb s SER 85 N -6.67 -0.17 0.04 1.67 1.04 -1.24 -4.77 113.70 103.60 3irb s SER 85 Ca -0.15 -0.01 -0.28 0.00 0.48 0.00 0.00 55.95 55.99 3irb s SER 85 Cb 0.07 0.19 0.09 0.00 0.10 0.00 0.00 66.02 66.47 3irb s SER 85 CO 0.79 -0.31 0.93 -0.72 0.98 0.00 0.00 173.24 174.91 3irb s TYR 86 N -2.55 -0.26 0.39 5.02 1.13 -1.26 -1.13 117.35 118.69 3irb s TYR 86 Ca 0.09 0.07 0.06 0.00 -1.41 0.00 0.00 57.07 55.88 3irb s TYR 86 Cb -0.01 0.57 -0.07 0.00 -1.10 0.00 0.00 41.96 41.35 3irb s TYR 86 CO -0.05 -0.62 0.03 -0.08 -2.51 0.00 0.00 175.55 172.31 3irb s THR 87 N -3.14 1.68 -0.01 -3.49 -1.32 -0.44 -5.00 115.64 103.92 3irb s THR 87 Ca 0.08 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.59 3irb s THR 87 Cb -0.01 -2.89 -0.01 0.00 -1.51 0.00 0.00 72.50 68.08 3irb s THR 87 CO -0.05 0.00 -0.10 -0.51 -2.21 0.00 0.00 174.62 171.75 3irb s ILE 88 N -2.92 0.83 -0.19 5.08 2.07 -1.26 -1.43 121.20 123.38 3irb s ILE 88 Ca 0.34 -0.45 0.01 0.00 -1.41 0.00 0.00 60.65 59.15 3irb s ILE 88 Cb 0.09 -0.69 0.02 0.00 0.13 0.00 0.00 42.46 42.01 3irb s ILE 88 CO 0.17 0.24 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.62 3irb s ILE 89 N -0.23 2.15 -0.18 2.00 1.01 0.33 -4.99 121.20 121.29 3irb s ILE 89 Ca 0.04 -0.99 0.20 0.00 0.00 0.00 0.00 60.65 59.89 3irb s ILE 89 Cb -0.04 -1.95 -0.07 0.00 0.01 0.00 0.00 42.46 40.41 3irb s ILE 89 CO -0.00 0.47 0.93 -1.22 0.00 0.00 0.00 174.94 175.11 3irb n TYR 90 N 4.61 0.97 -4.21 3.97 4.01 -1.26 -2.14 117.16 123.11 3irb n TYR 90 Ca -0.20 0.30 -0.17 0.00 -0.16 0.00 0.00 57.90 57.67 3irb n TYR 90 Cb 0.49 -1.02 -0.11 0.00 -0.31 0.00 0.00 39.34 38.39 3irb n TYR 90 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3irb s ASN 91 N -5.56 1.78 1.09 7.72 0.01 -1.26 -1.00 114.94 117.71 3irb s ASN 91 Ca -0.02 -0.78 -0.18 0.00 -0.71 0.00 0.00 52.86 51.17 3irb s ASN 91 Cb 0.09 -0.04 0.26 0.00 0.41 0.00 0.00 41.25 41.97 3irb s ASN 91 CO 0.80 -0.17 1.27 1.51 -1.51 0.00 0.00 177.10 179.00 3irb s ASP 92 N -2.35 1.99 0.05 -1.22 1.47 0.60 -4.86 116.67 112.35 3irb s ASP 92 Ca 0.06 0.27 0.20 0.00 1.18 0.00 0.00 52.55 54.26 3irb s ASP 92 Cb -0.05 -0.28 0.82 0.00 -0.34 0.00 0.00 42.92 43.07 3irb s ASP 92 CO 0.02 -3.43 1.62 0.47 0.68 0.00 0.00 175.17 174.53 3irb n ASP 93 N -4.23 0.14 -0.80 2.11 9.92 -1.26 -1.20 116.55 121.22 3irb n ASP 93 Ca 0.16 0.53 0.13 0.00 -0.53 0.00 0.00 54.79 55.08 3irb n ASP 93 Cb 0.59 -0.56 0.26 0.00 -0.64 0.00 0.00 41.12 40.78 3irb n ASP 93 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3irb n GLU 94 N -1.65 2.10 -0.17 -1.24 4.71 -1.26 -4.72 120.64 118.41 3irb n GLU 94 Ca 0.04 -1.61 0.00 0.00 -0.01 0.00 0.00 57.16 55.58 3irb n GLU 94 Cb 0.23 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.19 3irb n GLU 94 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3irb n GLY 95 N 1.30 0.65 3.73 0.62 0.00 -0.34 -5.07 105.19 106.08 3irb n GLY 95 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3irb n GLY 95 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3irb s ASN 96 N -2.79 7.09 0.17 1.61 0.01 -1.26 -4.73 114.94 115.03 3irb s ASN 96 Ca 0.00 2.15 -0.31 0.00 -0.71 0.00 0.00 52.86 53.99 3irb s ASN 96 Cb 0.00 -2.60 -0.09 0.00 0.41 0.00 0.00 41.25 38.97 3irb s ASN 96 CO 0.00 -0.41 1.45 -0.75 -1.51 0.00 0.00 177.10 175.89 3irb s LYS 97 N 0.27 4.28 0.04 -0.60 2.20 -1.26 -0.29 119.74 124.37 3irb s LYS 97 Ca 0.55 2.22 -0.26 0.00 -0.36 0.00 0.00 55.97 58.13 3irb s LYS 97 Cb -0.31 -3.18 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 3irb s LYS 97 CO 0.34 -0.47 0.79 -0.51 -0.36 0.00 0.00 175.35 175.13 3irb s LEU 98 N 0.65 4.43 0.18 5.43 1.43 -0.17 -4.88 118.68 125.76 3irb s LEU 98 Ca 0.64 1.47 -0.17 0.00 -1.03 0.00 0.00 54.13 55.04 3irb s LEU 98 Cb -0.40 -3.27 0.14 0.00 0.03 0.00 0.00 46.19 42.68 3irb s LEU 98 CO 0.34 -0.03 1.63 0.00 0.23 0.00 0.00 176.35 178.53 3irb h ALA 99 N 5.86 0.21 -3.45 4.21 0.00 -1.93 -3.35 119.26 120.80 3irb h ALA 99 Ca -0.43 0.18 -0.67 0.00 0.00 0.00 0.00 54.91 53.98 3irb h ALA 99 Cb 1.21 0.47 -0.35 0.00 0.00 0.00 0.00 17.79 19.11 3irb h ALA 99 CO 0.72 -0.51 -0.81 -0.65 0.00 0.00 0.00 179.25 178.00 3irb s GLN 100 N -6.17 2.63 0.65 0.00 -0.21 -1.26 -5.11 119.66 110.19 3irb s GLN 100 Ca -0.14 -1.08 -0.17 0.00 0.02 0.00 0.00 55.36 53.98 3irb s GLN 100 Cb 0.16 -2.79 -0.03 0.00 1.00 0.00 0.00 33.01 31.35 3irb s GLN 100 CO 0.71 -0.40 0.99 -2.30 -2.12 0.00 0.00 175.29 172.16 3irb n PRO 101 N 4.55 0.78 -3.70 2.91 -0.02 -1.26 -4.99 135.00 133.27 3irb n PRO 101 Ca -0.17 0.31 -0.36 0.00 -2.02 0.00 0.00 63.50 61.26 3irb n PRO 101 Cb 0.46 -2.21 -0.07 0.00 -0.02 0.00 0.00 33.50 31.65 3irb n PRO 101 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3irb s VAL 102 N -1.60 5.39 -0.08 -1.45 1.01 -0.91 -4.74 120.40 118.02 3irb s VAL 102 Ca 0.76 0.31 -0.01 0.00 0.00 0.00 0.00 61.98 63.04 3irb s VAL 102 Cb -0.39 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 3irb s VAL 102 CO 0.47 0.46 -0.02 -0.31 0.00 0.00 0.00 175.10 175.70 3irb s TYR 103 N 0.09 3.08 -0.29 5.22 1.51 -0.64 -0.52 117.35 125.81 3irb s TYR 103 Ca 0.12 0.14 -0.09 0.00 -1.01 0.00 0.00 57.07 56.23 3irb s TYR 103 Cb -0.12 -1.76 -0.02 0.00 -0.11 0.00 0.00 41.96 39.95 3irb s TYR 103 CO 0.01 0.42 0.13 0.42 -1.11 0.00 0.00 175.55 175.42 3irb s ILE 104 N -0.86 4.55 0.07 2.71 -1.09 -0.51 -1.12 121.20 124.95 3irb s ILE 104 Ca 0.13 -0.31 0.08 0.00 -2.23 0.00 0.00 60.65 58.33 3irb s ILE 104 Cb -0.11 -3.25 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 3irb s ILE 104 CO 0.02 0.17 -0.22 0.00 -1.23 0.00 0.00 174.94 173.67 3irb s ALA 105 N 1.62 1.93 -0.34 9.38 0.00 0.09 -1.33 121.76 133.10 3irb s ALA 105 Ca 0.05 -1.20 -0.20 0.00 0.00 0.00 0.00 51.96 50.61 3irb s ALA 105 Cb -0.16 -0.34 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 3irb s ALA 105 CO 0.06 0.43 0.61 -1.17 0.00 0.00 0.00 175.76 175.68 3irb s LEU 106 N -1.51 4.25 -0.18 0.00 2.96 -0.28 -0.96 118.68 122.96 3irb s LEU 106 Ca 0.09 0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 54.08 3irb s LEU 106 Cb -0.09 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 3irb s LEU 106 CO 0.03 -0.55 0.08 -0.63 -1.32 0.00 0.00 176.35 173.96 3irb s ILE 107 N 2.62 4.92 0.39 6.68 -1.09 0.14 -0.76 121.20 134.11 3irb s ILE 107 Ca 0.23 0.01 0.04 0.00 -2.23 0.00 0.00 60.65 58.70 3irb s ILE 107 Cb -0.15 -3.21 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 3irb s ILE 107 CO 0.14 0.47 0.07 -0.13 -1.23 0.00 0.00 174.94 174.26 3irb s ARG 108 N 0.24 1.87 -0.01 2.79 0.52 -0.09 -0.66 118.95 123.61 3irb s ARG 108 Ca 0.05 -2.11 0.03 0.00 -0.52 0.00 0.00 55.73 53.18 3irb s ARG 108 Cb -0.12 -0.98 -0.00 0.00 0.52 0.00 0.00 34.95 34.37 3irb s ARG 108 CO -0.00 -0.30 -0.09 -0.06 0.02 0.00 0.00 175.30 174.87 3irb s PHE 109 N -3.13 0.86 0.14 -0.53 0.40 -1.26 -0.90 117.98 113.57 3irb s PHE 109 Ca 0.27 -0.18 -0.35 0.00 -0.60 0.00 0.00 56.93 56.08 3irb s PHE 109 Cb 0.06 -0.57 -0.15 0.00 0.51 0.00 0.00 43.02 42.87 3irb s PHE 109 CO 0.13 -0.03 1.52 -2.30 0.70 0.00 0.00 175.22 175.24 3irb n PRO 110 N 2.96 1.90 -1.17 0.24 -0.02 -1.26 -2.15 135.00 135.50 3irb n PRO 110 Ca -0.15 0.69 -0.06 0.00 -2.02 0.00 0.00 63.50 61.96 3irb n PRO 110 Cb 0.56 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 3irb n PRO 110 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3irb n ASN 111 N 3.21 -4.29 -4.36 2.55 3.02 -1.26 -4.99 115.26 109.14 3irb n ASN 111 Ca 0.17 0.15 -0.33 0.00 -0.03 0.00 0.00 54.58 54.54 3irb n ASN 111 Cb 0.26 -2.32 -0.15 0.00 -0.61 0.00 0.00 39.78 36.97 3irb n ASN 111 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3irb s ILE 112 N -2.03 2.95 0.38 2.41 -1.09 -0.91 -4.61 121.20 118.30 3irb s ILE 112 Ca 0.00 -0.70 -0.25 0.00 -2.23 0.00 0.00 60.65 57.47 3irb s ILE 112 Cb 0.00 -2.23 -0.09 0.00 -1.58 0.00 0.00 42.46 38.56 3irb s ILE 112 CO 0.00 0.53 1.07 -1.61 -1.23 0.00 0.00 174.94 173.70 3irb s GLU 113 N 0.32 4.22 2.34 2.79 0.41 0.61 -4.63 118.70 124.77 3irb s GLU 113 Ca -0.11 1.61 0.00 0.00 -0.41 0.00 0.00 54.97 56.05 3irb s GLU 113 Cb -0.16 -2.67 0.00 0.00 -1.78 0.00 0.00 34.13 29.52 3irb s GLU 113 CO 0.06 -0.11 0.00 0.41 -0.49 0.00 0.00 175.26 175.13 3irb n GLY 114 N 0.53 -0.71 0.00 -1.39 0.00 -1.26 -1.24 105.19 101.12 3irb n GLY 114 Ca 0.04 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3irb n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3irb n GLY 115 N 0.00 -1.89 3.00 -0.02 0.00 -0.97 -4.75 105.19 100.57 3irb n GLY 115 Ca 0.00 -1.16 -0.27 0.00 0.00 0.00 0.00 46.02 44.59 3irb n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3irb s LEU 116 N 0.00 1.55 -0.32 0.99 1.43 0.16 -4.27 118.68 118.22 3irb s LEU 116 Ca 0.00 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 3irb s LEU 116 Cb 0.00 -0.95 0.01 0.00 0.03 0.00 0.00 46.19 45.28 3irb s LEU 116 CO 0.00 -0.02 1.12 -0.22 0.23 0.00 0.00 176.35 177.46 3irb s LEU 117 N 1.14 3.92 0.13 1.79 2.96 -1.26 -0.69 118.68 126.67 3irb s LEU 117 Ca -0.05 1.08 0.04 0.00 -0.22 0.00 0.00 54.13 54.98 3irb s LEU 117 Cb -0.14 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 3irb s LEU 117 CO -0.03 -0.92 -0.09 0.00 -1.32 0.00 0.00 176.35 173.99 3irb s TYR 119 N -3.26 3.87 0.03 0.00 2.02 -0.41 -0.73 117.35 118.88 3irb s TYR 119 Ca 0.14 1.77 0.05 0.00 -0.37 0.00 0.00 57.07 58.65 3irb s TYR 119 Cb 0.02 -2.96 -0.02 0.00 -0.40 0.00 0.00 41.96 38.60 3irb s TYR 119 CO -0.01 0.34 -0.14 0.00 -1.57 0.00 0.00 175.55 174.17 3irb s ALA 120 N -0.53 1.18 0.04 3.71 0.00 -0.27 -0.71 121.76 125.18 3irb s ALA 120 Ca 0.42 -0.78 -0.00 0.00 0.00 0.00 0.00 51.96 51.60 3irb s ALA 120 Cb -0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3irb s ALA 120 CO 0.29 0.24 -0.03 -1.21 0.00 0.00 0.00 175.76 175.04 3irb s GLU 121 N -0.98 0.53 0.00 0.00 2.02 -0.81 -1.62 118.70 117.84 3irb s GLU 121 Ca 0.02 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 53.99 3irb s GLU 121 Cb -0.07 0.14 0.00 0.00 0.10 0.00 0.00 34.13 34.30 3irb s GLU 121 CO 0.01 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.62 3irb n GLY 122 N 0.61 0.13 2.45 -1.39 0.00 -1.26 -1.27 105.19 104.45 3irb n GLY 122 Ca -0.17 -2.04 -0.40 0.00 0.00 0.00 0.00 46.02 43.41 3irb n GLY 122 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3irb n ASN 123 N 0.00 8.08 -4.72 1.61 3.02 -0.66 -4.92 115.26 117.68 3irb n ASN 123 Ca 0.00 -2.95 -0.42 0.00 -0.03 0.00 0.00 54.58 51.18 3irb n ASN 123 Cb 0.00 -1.44 -0.03 0.00 -0.61 0.00 0.00 39.78 37.70 3irb n ASN 123 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3irb s VAL 124 N 0.08 3.15 0.11 2.41 1.01 -1.26 -4.80 120.40 121.09 3irb s VAL 124 Ca 0.58 0.84 -0.11 0.00 0.00 0.00 0.00 61.98 63.30 3irb s VAL 124 Cb 0.18 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 33.03 3irb s VAL 124 CO -0.08 0.07 0.27 -1.59 0.00 0.00 0.00 175.10 173.77 3irb s LYS 125 N 0.92 0.96 0.28 2.72 -2.85 -1.26 -5.10 119.74 115.41 3irb s LYS 125 Ca 0.64 -0.91 -0.30 0.00 -1.00 0.00 0.00 55.97 54.41 3irb s LYS 125 Cb -0.38 0.39 -0.11 0.00 -2.06 0.00 0.00 37.83 35.67 3irb s LYS 125 CO 0.32 -0.34 1.49 0.54 0.10 0.00 0.00 175.35 177.46 3irb s VAL 126 N -3.86 2.39 0.00 1.79 0.11 -1.26 -2.18 120.40 117.39 3irb s VAL 126 Ca 0.06 0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.45 3irb s VAL 126 Cb 0.04 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.67 3irb s VAL 126 CO -0.10 0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.34 3irb n GLY 127 N 1.91 1.84 3.77 6.54 0.00 0.46 -5.00 105.19 114.70 3irb n GLY 127 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3irb n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3irb s ALA 128 N -2.45 3.09 0.28 4.61 0.00 -0.93 -4.58 121.76 121.77 3irb s ALA 128 Ca 0.00 1.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.75 3irb s ALA 128 Cb 0.00 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 3irb s ALA 128 CO 0.00 -0.76 1.42 0.15 0.00 0.00 0.00 175.76 176.56 3irb s LYS 129 N -2.48 4.27 -0.08 0.00 3.01 -1.26 -1.00 119.74 122.20 3irb s LYS 129 Ca 0.61 2.31 0.02 0.00 -1.01 0.00 0.00 55.97 57.90 3irb s LYS 129 Cb -0.33 -3.09 -0.02 0.00 -1.01 0.00 0.00 37.83 33.38 3irb s LYS 129 CO 0.42 -0.38 -0.14 0.00 0.51 0.00 0.00 175.35 175.75 3irb s ALA 130 N -0.34 2.64 -0.18 5.17 0.00 -0.16 -4.54 121.76 124.35 3irb s ALA 130 Ca 0.57 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 51.53 3irb s ALA 130 Cb -0.42 -1.07 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 3irb s ALA 130 CO 0.47 0.42 0.01 0.21 0.00 0.00 0.00 175.76 176.87 3irb s LYS 131 N -0.26 3.73 -0.21 0.00 2.20 0.09 -4.45 119.74 120.85 3irb s LYS 131 Ca 0.02 -0.47 -0.29 0.00 -0.36 0.00 0.00 55.97 54.86 3irb s LYS 131 Cb -0.13 -3.08 -0.01 0.00 -1.51 0.00 0.00 37.83 33.11 3irb s LYS 131 CO 0.03 0.15 1.22 0.42 -0.36 0.00 0.00 175.35 176.81 3irb s ILE 132 N 0.66 4.34 -0.09 5.43 1.01 -1.26 -0.76 121.20 130.52 3irb s ILE 132 Ca 0.00 1.59 0.05 0.00 0.00 0.00 0.00 60.65 62.29 3irb s ILE 132 Cb -0.14 -4.10 -0.24 0.00 0.01 0.00 0.00 42.46 37.99 3irb s ILE 132 CO 0.02 -0.22 0.49 0.18 0.00 0.00 0.00 174.94 175.40 3irb n LEU 133 N 6.77 1.58 -3.80 2.97 4.77 0.48 -4.94 117.00 124.84 3irb n LEU 133 Ca 0.14 0.29 -0.15 0.00 -0.03 0.00 0.00 56.01 56.27 3irb n LEU 133 Cb 0.45 -0.35 -0.16 0.00 -2.33 0.00 0.00 43.42 41.04 3irb n LEU 133 CO 0.57 0.59 -0.35 -0.55 -1.33 0.00 0.00 177.39 176.32 3irb s SER 134 N -6.44 0.09 0.00 -1.43 0.15 -0.94 -4.99 113.70 100.14 3irb s SER 134 Ca -0.13 0.02 0.23 0.00 0.70 0.00 0.00 55.95 56.78 3irb s SER 134 Cb 0.07 -0.07 0.46 0.00 -1.71 0.00 0.00 66.02 64.77 3irb s SER 134 CO 0.80 -0.10 1.42 0.49 1.20 0.00 0.00 173.24 177.04 3irb n PHE 135 N 3.95 0.42 -2.44 3.44 3.01 -1.26 -2.64 117.46 121.95 3irb n PHE 135 Ca -0.25 -0.21 -0.37 0.00 1.01 0.00 0.00 57.45 57.63 3irb n PHE 135 Cb 0.52 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.96 3irb n PHE 135 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 3irb s GLN 136 N -1.58 4.15 0.11 -1.08 0.74 -1.26 -4.73 119.66 116.02 3irb s GLN 136 Ca 0.37 1.66 -0.25 0.00 0.05 0.00 0.00 55.36 57.20 3irb s GLN 136 Cb 0.22 -2.65 -0.07 0.00 1.10 0.00 0.00 33.01 31.61 3irb s GLN 136 CO 0.31 -0.19 0.76 -0.46 -0.55 0.00 0.00 175.29 175.16 3irb s TRP 137 N -1.52 3.83 0.34 1.67 -0.11 -1.26 -2.71 118.94 119.19 3irb s TRP 137 Ca 0.56 1.54 -0.27 0.00 1.22 0.00 0.00 56.10 59.16 3irb s TRP 137 Cb -0.26 -2.77 -0.09 0.00 -1.50 0.00 0.00 33.47 28.85 3irb s TRP 137 CO 0.33 0.43 1.12 -2.14 -4.62 0.00 0.00 176.95 172.07 3irb s PRO 138 N -0.72 4.36 0.67 5.86 0.02 -1.26 -5.06 135.00 138.88 3irb s PRO 138 Ca 0.36 1.79 -0.17 0.00 0.02 0.00 0.00 61.00 63.00 3irb s PRO 138 Cb -0.22 -2.90 0.01 0.00 0.02 0.00 0.00 34.50 31.40 3irb s PRO 138 CO 0.24 -0.04 1.23 -0.51 -0.33 0.00 0.00 177.00 177.59 3irb s LEU 139 N -2.01 3.47 -0.09 -5.54 1.02 -1.10 -4.80 118.68 109.63 3irb s LEU 139 Ca 0.51 2.42 0.03 0.00 0.02 0.00 0.00 54.13 57.11 3irb s LEU 139 Cb -0.30 -4.60 -0.01 0.00 0.02 0.00 0.00 46.19 41.30 3irb s LEU 139 CO 0.39 -2.02 -0.20 -0.13 0.02 0.00 0.00 176.35 174.41 3irb s ARG 140 N -3.64 2.97 0.17 1.70 0.52 -1.08 -1.28 118.95 118.31 3irb s ARG 140 Ca 0.77 -0.81 0.06 0.00 -0.52 0.00 0.00 55.73 55.23 3irb s ARG 140 Cb -0.31 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.74 3irb s ARG 140 CO 0.41 0.29 -0.12 0.14 0.02 0.00 0.00 175.30 176.03 3irb s VAL 141 N 0.11 1.45 0.13 3.52 -7.23 0.11 -0.39 120.40 118.10 3irb s VAL 141 Ca -0.10 -2.11 0.07 0.00 -1.81 0.00 0.00 61.98 58.04 3irb s VAL 141 Cb -0.16 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 3irb s VAL 141 CO 0.06 -0.65 -0.17 -1.59 -0.31 0.00 0.00 175.10 172.43 3irb s LYS 142 N -3.63 1.13 -0.19 4.82 -2.85 0.06 -1.93 119.74 117.14 3irb s LYS 142 Ca 0.19 -1.27 0.01 0.00 -1.00 0.00 0.00 55.97 53.90 3irb s LYS 142 Cb 0.01 -1.17 0.02 0.00 -2.06 0.00 0.00 37.83 34.63 3irb s LYS 142 CO 0.04 0.24 -0.18 0.08 0.10 0.00 0.00 175.35 175.64 3irb s VAL 143 N -1.82 2.18 -2.00 1.79 1.01 -0.40 -0.73 120.40 120.43 3irb s VAL 143 Ca 0.10 -1.00 0.21 0.00 0.00 0.00 0.00 61.98 61.29 3irb s VAL 143 Cb -0.07 -1.97 0.59 0.00 0.00 0.00 0.00 36.38 34.93 3irb s VAL 143 CO 0.05 0.46 1.61 0.47 0.00 0.00 0.00 175.10 177.68