#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rbv n LEU 2 N 0.00 5.37 -0.88 -0.89 4.77 -1.26 -4.95 117.00 119.16 1rbv n LEU 2 Ca 0.00 0.98 0.12 0.00 -0.03 0.00 0.00 56.01 57.08 1rbv n LEU 2 Cb 0.00 -1.57 0.21 0.00 -2.33 0.00 0.00 43.42 39.74 1rbv n LEU 2 CO 0.00 -0.63 0.70 0.29 -1.33 0.00 0.00 177.39 176.42 1rbv n LYS 3 N -0.94 2.21 -4.29 3.23 4.76 -1.26 -4.88 118.16 116.98 1rbv n LYS 3 Ca 0.10 -1.77 -0.18 0.00 -2.87 0.00 0.00 58.31 53.60 1rbv n LYS 3 Cb 0.44 -1.47 -0.14 0.00 -1.84 0.00 0.00 35.03 32.02 1rbv n LYS 3 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1rbv s GLN 4 N -1.90 0.66 0.16 1.97 -0.21 -1.26 -4.90 119.66 114.18 1rbv s GLN 4 Ca 0.32 -0.37 -0.30 0.00 0.02 0.00 0.00 55.36 55.03 1rbv s GLN 4 Cb 0.21 -0.63 -0.07 0.00 1.00 0.00 0.00 33.01 33.51 1rbv s GLN 4 CO 0.31 0.17 1.17 0.08 -2.12 0.00 0.00 175.29 174.89 1rbv s VAL 5 N -0.35 3.75 -0.15 1.09 1.01 0.93 -4.94 120.40 121.74 1rbv s VAL 5 Ca 0.02 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.44 1rbv s VAL 5 Cb -0.04 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 1rbv s VAL 5 CO -0.00 0.21 -0.15 -1.61 0.00 0.00 0.00 175.10 173.55 1rbv s GLU 6 N -0.02 3.24 -0.02 2.72 2.02 -1.08 -0.51 118.70 125.04 1rbv s GLU 6 Ca 0.53 -0.74 0.06 0.00 0.02 0.00 0.00 54.97 54.84 1rbv s GLU 6 Cb -0.31 -2.62 -0.01 0.00 0.10 0.00 0.00 34.13 31.29 1rbv s GLU 6 CO 0.35 0.05 -0.20 0.42 0.02 0.00 0.00 175.26 175.90 1rbv s ILE 7 N 0.73 1.61 -0.02 -1.63 1.01 -0.55 -0.16 121.20 122.20 1rbv s ILE 7 Ca -0.07 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.74 1rbv s ILE 7 Cb -0.16 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 40.97 1rbv s ILE 7 CO 0.01 0.46 -0.07 -0.36 0.00 0.00 0.00 174.94 174.98 1rbv s PHE 8 N -0.38 0.74 0.02 3.97 0.40 -0.27 -0.23 117.98 122.22 1rbv s PHE 8 Ca 0.05 -0.16 -0.03 0.00 -0.60 0.00 0.00 56.93 56.20 1rbv s PHE 8 Cb -0.09 -0.51 -0.02 0.00 0.51 0.00 0.00 43.02 42.91 1rbv s PHE 8 CO -0.00 -0.05 0.03 0.95 0.70 0.00 0.00 175.22 176.84 1rbv s THR 9 N 0.05 0.12 0.05 0.64 -4.23 -1.02 -1.07 115.64 110.19 1rbv s THR 9 Ca -0.00 -1.02 -0.27 0.00 -1.18 0.00 0.00 61.69 59.22 1rbv s THR 9 Cb -0.06 -0.57 0.07 0.00 1.34 0.00 0.00 72.50 73.28 1rbv s THR 9 CO -0.00 -0.56 0.63 -0.62 -0.54 0.00 0.00 174.62 173.53 1rbv s ASP 10 N -1.76 -0.60 0.03 3.99 -1.08 -0.34 -4.50 116.67 112.42 1rbv s ASP 10 Ca -0.11 0.34 -0.01 0.00 -0.52 0.00 0.00 52.55 52.25 1rbv s ASP 10 Cb -0.06 0.56 -0.03 0.00 -1.46 0.00 0.00 42.92 41.94 1rbv s ASP 10 CO -0.02 -0.79 -0.01 -0.83 0.52 0.00 0.00 175.17 174.04 1rbv s GLY 11 N -1.98 0.31 0.06 2.66 0.00 -1.26 -1.15 107.32 105.96 1rbv s GLY 11 Ca -0.05 -0.81 -0.13 0.00 0.00 0.00 0.00 44.72 43.73 1rbv s GLY 11 CO -0.02 -0.90 0.28 -0.45 0.00 0.00 0.00 173.10 172.01 1rbv s SER 12 N -2.10 -0.08 -0.16 1.64 0.15 0.15 -4.77 113.70 108.54 1rbv s SER 12 Ca -0.06 -0.29 -0.19 0.00 0.70 0.00 0.00 55.95 56.11 1rbv s SER 12 Cb -0.02 0.36 0.05 0.00 -1.71 0.00 0.00 66.02 64.70 1rbv s SER 12 CO -0.05 -0.65 0.51 0.00 1.20 0.00 0.00 173.24 174.26 1rbv n LEU 14 N 2.46 0.94 0.00 0.00 4.77 -0.34 -4.89 117.00 119.94 1rbv n LEU 14 Ca -0.15 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1rbv n LEU 14 Cb 0.56 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1rbv n LEU 14 CO 0.12 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1rbv n GLY 15 N 1.24 1.84 2.51 -0.72 0.00 -1.26 -4.93 105.19 103.87 1rbv n GLY 15 Ca 0.16 -0.86 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 1rbv n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rbv s ASN 16 N 0.11 1.34 0.67 1.61 2.47 -1.26 -3.74 114.94 116.13 1rbv s ASN 16 Ca 0.00 -2.48 -0.09 0.00 0.42 0.00 0.00 52.86 50.72 1rbv s ASN 16 Cb 0.00 0.02 0.02 0.00 -1.45 0.00 0.00 41.25 39.85 1rbv s ASN 16 CO 0.00 -0.20 1.02 -2.16 -3.72 0.00 0.00 177.10 172.04 1rbv s PRO 17 N 0.60 2.71 0.14 0.43 0.04 -1.26 -5.12 135.00 132.53 1rbv s PRO 17 Ca 0.27 0.15 -0.24 0.00 0.04 0.00 0.00 61.00 61.22 1rbv s PRO 17 Cb -0.05 -2.13 0.08 0.00 0.04 0.00 0.00 34.50 32.44 1rbv s PRO 17 CO -0.11 -0.99 1.09 0.20 0.04 0.00 0.00 177.00 177.23 1rbv s GLY 18 N -4.38 0.03 0.15 0.56 0.00 -0.58 -4.85 107.32 98.25 1rbv s GLY 18 Ca 0.57 -0.20 -0.31 0.00 0.00 0.00 0.00 44.72 44.78 1rbv s GLY 18 CO 0.48 2.70 1.68 -4.14 0.00 0.00 0.00 173.10 173.82 1rbv s PRO 19 N -2.23 4.17 0.32 2.90 0.02 -1.16 0.05 135.00 139.08 1rbv s PRO 19 Ca 0.22 2.47 0.02 0.00 0.02 0.00 0.00 61.00 63.73 1rbv s PRO 19 Cb -0.02 -3.31 -0.02 0.00 0.02 0.00 0.00 34.50 31.18 1rbv s PRO 19 CO 0.04 -0.72 0.34 0.20 -0.33 0.00 0.00 177.00 176.53 1rbv s GLY 20 N 1.71 1.88 0.30 0.52 0.00 0.39 -1.20 107.32 110.93 1rbv s GLY 20 Ca 0.74 -1.80 -0.19 0.00 0.00 0.00 0.00 44.72 43.47 1rbv s GLY 20 CO 0.33 -1.27 0.79 -0.32 0.00 0.00 0.00 173.10 172.63 1rbv s GLY 21 N -3.29 0.10 0.10 0.20 0.00 -0.03 -0.22 107.32 104.17 1rbv s GLY 21 Ca 0.36 -0.45 0.01 0.00 0.00 0.00 0.00 44.72 44.64 1rbv s GLY 21 CO 0.23 -0.00 -0.03 -2.52 0.00 0.00 0.00 173.10 170.77 1rbv s TYR 22 N -3.09 0.84 -0.06 1.90 -0.85 -1.05 -0.67 117.35 114.36 1rbv s TYR 22 Ca 0.14 -1.01 -0.03 0.00 -0.52 0.00 0.00 57.07 55.65 1rbv s TYR 22 Cb -0.05 -0.50 0.04 0.00 0.38 0.00 0.00 41.96 41.82 1rbv s TYR 22 CO 0.08 -0.26 0.14 0.20 -1.52 0.00 0.00 175.55 174.19 1rbv s GLY 23 N -3.03 -0.02 -0.03 5.49 0.00 -0.30 -3.24 107.32 106.18 1rbv s GLY 23 Ca 0.14 0.67 -0.02 0.00 0.00 0.00 0.00 44.72 45.50 1rbv s GLY 23 CO -0.04 1.00 0.08 0.00 0.00 0.00 0.00 173.10 174.14 1rbv s ALA 24 N 1.20 -0.16 -0.09 3.20 0.00 -0.04 -1.19 121.76 124.67 1rbv s ALA 24 Ca -0.09 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1rbv s ALA 24 Cb -0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 1rbv s ALA 24 CO -0.06 -0.06 -0.18 0.42 0.00 0.00 0.00 175.76 175.88 1rbv s ILE 25 N 0.32 2.66 -0.08 0.00 1.01 -0.24 0.55 121.20 125.43 1rbv s ILE 25 Ca -0.02 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1rbv s ILE 25 Cb -0.04 -2.06 0.02 0.00 0.01 0.00 0.00 42.46 40.39 1rbv s ILE 25 CO -0.01 0.55 -0.11 -0.22 0.00 0.00 0.00 174.94 175.16 1rbv s LEU 26 N 0.03 1.48 -0.49 2.97 2.96 0.14 -1.12 118.68 124.64 1rbv s LEU 26 Ca -0.06 -0.30 -0.11 0.00 -0.22 0.00 0.00 54.13 53.43 1rbv s LEU 26 Cb -0.15 -0.84 0.12 0.00 0.50 0.00 0.00 46.19 45.83 1rbv s LEU 26 CO 0.05 -0.03 0.39 -0.13 -1.32 0.00 0.00 176.35 175.31 1rbv s ARG 27 N 1.07 2.61 -0.08 1.98 0.52 0.78 0.43 118.95 126.26 1rbv s ARG 27 Ca -0.07 -1.77 0.01 0.00 -0.52 0.00 0.00 55.73 53.39 1rbv s ARG 27 Cb -0.15 -4.02 0.02 0.00 0.52 0.00 0.00 34.95 31.32 1rbv s ARG 27 CO -0.01 -1.23 -0.10 -0.47 0.02 0.00 0.00 175.30 173.51 1rbv s TYR 28 N 1.40 1.36 0.00 -0.53 5.04 -0.49 -2.64 117.35 121.49 1rbv s TYR 28 Ca 0.05 -0.54 0.00 0.00 -2.44 0.00 0.00 57.07 54.14 1rbv s TYR 28 Cb -0.27 -1.06 0.00 0.00 0.35 0.00 0.00 41.96 40.98 1rbv s TYR 28 CO 0.00 -0.33 0.00 0.54 -1.34 0.00 0.00 175.55 174.42 1rbv n ARG 29 N 4.18 0.00 -0.01 4.97 5.12 -1.26 -1.84 116.66 127.82 1rbv n ARG 29 Ca -0.20 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.73 1rbv n ARG 29 Cb 0.51 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.82 1rbv n ARG 29 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rbv n GLY 30 N 0.00 3.04 3.80 -0.13 0.00 -1.26 -4.60 105.19 106.05 1rbv n GLY 30 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 1rbv n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rbv s ARG 31 N -1.06 2.45 -0.27 1.61 0.52 -0.77 -5.10 118.95 116.33 1rbv s ARG 31 Ca 0.02 -1.58 0.03 0.00 -0.52 0.00 0.00 55.73 53.68 1rbv s ARG 31 Cb 0.01 -2.25 0.06 0.00 0.52 0.00 0.00 34.95 33.30 1rbv s ARG 31 CO 0.01 -0.06 -0.09 -2.00 0.02 0.00 0.00 175.30 173.18 1rbv s GLU 32 N -3.99 2.22 -0.14 3.54 2.12 -1.26 -1.40 118.70 119.80 1rbv s GLU 32 Ca 0.43 -1.37 -0.07 0.00 0.36 0.00 0.00 54.97 54.33 1rbv s GLU 32 Cb -0.02 -2.93 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 1rbv s GLU 32 CO 0.25 -0.59 0.09 0.15 -0.54 0.00 0.00 175.26 174.62 1rbv s LYS 33 N 1.10 3.62 -0.17 4.30 1.02 0.17 -4.94 119.74 124.84 1rbv s LYS 33 Ca -0.08 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.66 1rbv s LYS 33 Cb -0.20 -3.16 0.01 0.00 -0.52 0.00 0.00 37.83 33.95 1rbv s LYS 33 CO -0.05 0.56 -0.16 0.99 -0.92 0.00 0.00 175.35 175.77 1rbv s THR 34 N -0.42 2.52 0.05 2.17 2.01 -1.26 0.24 115.64 120.96 1rbv s THR 34 Ca 0.10 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.36 1rbv s THR 34 Cb -0.12 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1rbv s THR 34 CO 0.02 0.51 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.99 1rbv s PHE 35 N 1.08 2.75 -0.29 4.92 0.40 0.19 -4.98 117.98 122.06 1rbv s PHE 35 Ca -0.00 -0.14 -0.20 0.00 -0.60 0.00 0.00 56.93 55.99 1rbv s PHE 35 Cb -0.14 -1.51 0.14 0.00 0.51 0.00 0.00 43.02 42.02 1rbv s PHE 35 CO -0.05 0.36 1.05 0.45 0.70 0.00 0.00 175.22 177.73 1rbv s SER 36 N -1.73 -0.43 0.01 1.36 0.15 -1.26 -0.86 113.70 110.94 1rbv s SER 36 Ca 0.18 0.75 -0.22 0.00 0.70 0.00 0.00 55.95 57.36 1rbv s SER 36 Cb -0.11 0.98 0.05 0.00 -1.71 0.00 0.00 66.02 65.22 1rbv s SER 36 CO 0.09 -0.12 0.50 0.00 1.20 0.00 0.00 173.24 174.91 1rbv s ALA 37 N 0.77 -1.28 0.02 5.45 0.00 -1.20 -5.03 121.76 120.49 1rbv s ALA 37 Ca -0.03 0.68 0.04 0.00 0.00 0.00 0.00 51.96 52.65 1rbv s ALA 37 Cb -0.04 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 1rbv s ALA 37 CO -0.11 -0.42 -0.08 0.20 0.00 0.00 0.00 175.76 175.35 1rbv s GLY 38 N -1.66 1.75 -0.04 0.00 0.00 -1.25 -2.53 107.32 103.60 1rbv s GLY 38 Ca -0.08 -1.07 0.06 0.00 0.00 0.00 0.00 44.72 43.63 1rbv s GLY 38 CO 0.02 -0.95 -0.21 -0.19 0.00 0.00 0.00 173.10 171.77 1rbv s TYR 39 N -1.03 1.96 0.28 1.90 1.51 0.69 -1.50 117.35 121.17 1rbv s TYR 39 Ca 0.18 -0.50 -0.02 0.00 -1.01 0.00 0.00 57.07 55.72 1rbv s TYR 39 Cb -0.11 -1.29 0.40 0.00 -0.11 0.00 0.00 41.96 40.85 1rbv s TYR 39 CO 0.09 -0.13 1.87 1.79 -1.11 0.00 0.00 175.55 178.06 1rbv h THR 40 N 4.96 1.22 -2.14 -0.71 1.35 -1.59 0.11 112.91 116.11 1rbv h THR 40 Ca -0.35 -0.67 -0.27 0.00 -0.55 0.00 0.00 66.41 64.57 1rbv h THR 40 Cb 1.16 0.43 -0.33 0.00 -1.73 0.00 0.00 68.15 67.69 1rbv h THR 40 CO 0.48 0.27 -0.59 -0.60 -0.25 0.00 0.00 175.52 174.83 1rbv s ARG 41 N -5.46 0.30 0.00 4.72 3.52 -1.26 -2.97 118.95 117.80 1rbv s ARG 41 Ca -0.11 0.14 0.00 0.00 -0.13 0.00 0.00 55.73 55.63 1rbv s ARG 41 Cb 0.16 -0.73 0.00 0.00 -1.56 0.00 0.00 34.95 32.82 1rbv s ARG 41 CO 0.80 -0.84 0.00 -2.37 -0.81 0.00 0.00 175.30 172.08 1rbv n THR 42 N 5.33 0.00 -4.43 4.11 5.66 0.11 -4.46 114.28 120.60 1rbv n THR 42 Ca -0.03 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.76 1rbv n THR 42 Cb 0.48 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.16 1rbv n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1rbv s THR 43 N -2.85 1.55 0.08 1.09 -4.23 -1.26 -1.52 115.64 108.50 1rbv s THR 43 Ca 0.00 -2.10 -0.24 0.00 -1.18 0.00 0.00 61.69 58.17 1rbv s THR 43 Cb 0.00 -2.48 -0.15 0.00 1.34 0.00 0.00 72.50 71.20 1rbv s THR 43 CO 0.00 -0.27 1.72 -1.13 -0.54 0.00 0.00 174.62 174.40 1rbv h ASN 44 N 2.27 -0.05 -1.00 3.99 -1.24 -1.85 -2.34 115.58 115.35 1rbv h ASN 44 Ca -0.40 -0.01 0.10 0.00 0.71 0.00 0.00 56.30 56.69 1rbv h ASN 44 Cb 1.23 0.01 -0.08 0.00 0.73 0.00 0.00 38.32 40.22 1rbv h ASN 44 CO 0.67 -0.02 0.64 0.78 -1.29 0.00 0.00 177.43 178.21 1rbv h ASN 45 N -0.08 0.97 0.02 1.15 -0.26 -1.96 -1.35 115.58 114.07 1rbv h ASN 45 Ca -0.01 0.03 -0.18 0.00 -0.56 0.00 0.00 56.30 55.58 1rbv h ASN 45 Cb 0.06 -0.17 -0.00 0.00 -1.06 0.00 0.00 38.32 37.15 1rbv h ASN 45 CO 0.01 0.56 -0.63 0.03 -1.06 0.00 0.00 177.43 176.34 1rbv h ARG 46 N 1.07 0.59 -0.50 0.81 3.08 -1.93 -2.52 114.38 114.98 1rbv h ARG 46 Ca 0.47 -0.42 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 1rbv h ARG 46 Cb 0.35 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1rbv h ARG 46 CO -0.22 1.04 -0.14 0.52 -1.07 0.00 0.00 179.97 180.10 1rbv h MET 47 N 0.44 0.96 -0.48 0.04 2.86 -0.87 -0.07 114.93 117.81 1rbv h MET 47 Ca -0.01 -0.36 -0.06 0.00 -2.06 0.00 0.00 59.70 57.21 1rbv h MET 47 Cb 1.21 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 1rbv h MET 47 CO 0.12 1.03 0.07 0.93 1.06 0.00 0.00 176.91 180.12 1rbv h GLU 48 N 0.85 0.75 -0.07 1.72 5.08 -1.21 -1.80 114.58 119.90 1rbv h GLU 48 Ca 0.13 -0.17 -0.20 0.00 -1.00 0.00 0.00 59.36 58.12 1rbv h GLU 48 Cb 0.69 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1rbv h GLU 48 CO 0.05 0.72 -0.80 -0.07 -1.00 0.00 0.00 179.01 177.91 1rbv h LEU 49 N 0.72 0.60 -1.05 1.33 3.38 -1.28 -3.23 115.31 115.79 1rbv h LEU 49 Ca 0.15 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1rbv h LEU 49 Cb 0.34 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1rbv h LEU 49 CO 0.01 1.19 0.42 -0.03 0.09 0.00 0.00 178.44 180.12 1rbv h MET 50 N 0.32 1.09 -0.14 1.13 4.05 -0.58 -1.57 114.93 119.23 1rbv h MET 50 Ca -0.05 -0.12 0.05 0.00 -0.28 0.00 0.00 59.70 59.29 1rbv h MET 50 Cb 1.40 -0.22 -0.06 0.00 -0.80 0.00 0.00 31.60 31.93 1rbv h MET 50 CO 0.14 0.80 -0.31 0.00 0.23 0.00 0.00 176.91 177.78 1rbv h ALA 51 N 1.37 -0.34 -0.64 0.39 0.00 -1.35 -1.01 119.26 117.69 1rbv h ALA 51 Ca 0.28 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1rbv h ALA 51 Cb 0.03 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1rbv h ALA 51 CO -0.04 -0.78 0.17 0.00 0.00 0.00 0.00 179.25 178.60 1rbv h ALA 52 N 0.48 0.84 0.41 0.00 0.00 -1.56 -2.83 119.26 116.60 1rbv h ALA 52 Ca 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1rbv h ALA 52 Cb 0.53 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1rbv h ALA 52 CO -0.35 0.54 -0.25 0.82 0.00 0.00 0.00 179.25 180.01 1rbv h ILE 53 N 0.93 0.48 -0.61 0.00 2.04 -0.50 -2.20 117.51 117.65 1rbv h ILE 53 Ca 0.20 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.04 1rbv h ILE 53 Cb 0.34 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1rbv h ILE 53 CO -0.00 0.00 0.31 0.58 0.00 0.00 0.00 178.15 179.04 1rbv h VAL 54 N -0.63 1.20 -0.30 1.67 2.07 -1.22 -0.14 116.25 118.89 1rbv h VAL 54 Ca -0.05 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 66.86 1rbv h VAL 54 Cb 0.52 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1rbv h VAL 54 CO 0.05 0.22 -0.16 0.00 0.02 0.00 0.00 177.57 177.70 1rbv h ALA 55 N 1.48 0.42 -0.37 1.67 0.00 -1.47 -3.03 119.26 117.96 1rbv h ALA 55 Ca 0.22 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1rbv h ALA 55 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1rbv h ALA 55 CO -0.03 0.32 -0.40 -0.07 0.00 0.00 0.00 179.25 179.07 1rbv h LEU 56 N 0.38 0.99 -0.80 0.00 3.38 -1.22 -2.93 115.31 115.11 1rbv h LEU 56 Ca 0.06 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1rbv h LEU 56 Cb 0.69 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1rbv h LEU 56 CO 0.05 1.26 0.00 -0.62 0.09 0.00 0.00 178.44 179.22 1rbv n GLU 57 N -4.05 0.12 0.17 1.13 1.02 -0.08 -1.53 120.64 117.42 1rbv n GLU 57 Ca -0.02 0.50 0.13 0.00 -0.02 0.00 0.00 57.16 57.74 1rbv n GLU 57 Cb 0.55 -1.81 0.31 0.00 -0.02 0.00 0.00 31.44 30.47 1rbv n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rbv h ALA 58 N 2.15 1.00 -2.38 0.62 0.00 -1.38 -3.44 119.26 115.83 1rbv h ALA 58 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1rbv h ALA 58 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1rbv h ALA 58 CO 0.00 0.00 0.53 -0.51 0.00 0.00 0.00 179.25 179.27 1rbv s LEU 59 N -5.44 4.33 0.00 0.00 1.43 -0.58 -4.94 118.68 113.47 1rbv s LEU 59 Ca 0.08 1.76 0.20 0.00 -1.03 0.00 0.00 54.13 55.14 1rbv s LEU 59 Cb 0.08 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 42.79 1rbv s LEU 59 CO 0.62 -0.42 1.04 0.29 0.23 0.00 0.00 176.35 178.11 1rbv n LYS 60 N 4.40 1.59 -4.08 1.70 4.76 -1.26 -4.99 118.16 120.28 1rbv n LYS 60 Ca 0.08 -1.19 -0.10 0.00 -2.87 0.00 0.00 58.31 54.23 1rbv n LYS 60 Cb 0.48 -1.39 -0.08 0.00 -1.84 0.00 0.00 35.03 32.20 1rbv n LYS 60 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1rbv s GLU 61 N -2.04 1.21 -0.09 1.97 1.03 -1.26 -5.12 118.70 114.39 1rbv s GLU 61 Ca 0.19 -1.39 -0.29 0.00 0.03 0.00 0.00 54.97 53.51 1rbv s GLU 61 Cb 0.16 0.34 -0.05 0.00 -0.80 0.00 0.00 34.13 33.78 1rbv s GLU 61 CO 0.41 -0.43 1.72 -1.01 -1.33 0.00 0.00 175.26 174.63 1rbv s HIS 62 N -4.05 1.87 0.37 4.83 3.76 -1.26 -4.98 115.29 115.83 1rbv s HIS 62 Ca 0.27 0.21 0.07 0.00 -0.15 0.00 0.00 55.06 55.46 1rbv s HIS 62 Cb 0.04 -3.97 -0.07 0.00 1.11 0.00 0.00 32.58 29.69 1rbv s HIS 62 CO 0.06 -3.87 -0.01 0.00 -0.85 0.00 0.00 174.74 170.07 1rbv s GLU 64 N -3.72 3.00 0.07 0.00 2.02 -1.26 -1.78 118.70 117.04 1rbv s GLU 64 Ca 0.34 -0.97 0.06 0.00 0.02 0.00 0.00 54.97 54.43 1rbv s GLU 64 Cb 0.08 -3.74 -0.04 0.00 0.10 0.00 0.00 34.13 30.53 1rbv s GLU 64 CO 0.17 -0.63 -0.10 0.08 0.02 0.00 0.00 175.26 174.80 1rbv s VAL 65 N 1.60 3.40 -0.17 2.63 1.01 0.12 -0.05 120.40 128.93 1rbv s VAL 65 Ca 0.03 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.88 1rbv s VAL 65 Cb -0.19 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.68 1rbv s VAL 65 CO 0.07 0.20 -0.11 -0.51 0.00 0.00 0.00 175.10 174.75 1rbv s ILE 66 N -1.14 1.53 -0.20 2.22 2.07 0.34 -0.45 121.20 125.56 1rbv s ILE 66 Ca 0.20 -0.76 -0.04 0.00 -1.41 0.00 0.00 60.65 58.64 1rbv s ILE 66 Cb -0.11 -1.53 -0.01 0.00 0.13 0.00 0.00 42.46 40.94 1rbv s ILE 66 CO 0.12 0.31 -0.05 -0.22 -1.91 0.00 0.00 174.94 173.19 1rbv s LEU 67 N 1.48 2.94 -0.14 8.50 0.20 0.39 -1.48 118.68 130.56 1rbv s LEU 67 Ca 0.02 -0.35 -0.01 0.00 0.69 0.00 0.00 54.13 54.49 1rbv s LEU 67 Cb -0.14 -1.74 -0.02 0.00 -0.43 0.00 0.00 46.19 43.86 1rbv s LEU 67 CO -0.09 0.02 -0.11 -0.55 -0.29 0.00 0.00 176.35 175.32 1rbv s SER 68 N 1.23 4.11 0.01 3.68 0.15 0.68 -1.02 113.70 122.53 1rbv s SER 68 Ca 0.03 -0.31 -0.28 0.00 0.70 0.00 0.00 55.95 56.09 1rbv s SER 68 Cb -0.14 -1.64 0.07 0.00 -1.71 0.00 0.00 66.02 62.59 1rbv s SER 68 CO -0.01 0.15 0.63 0.28 1.20 0.00 0.00 173.24 175.49 1rbv s THR 69 N 0.43 0.00 -1.69 6.45 -1.32 -0.99 -2.44 115.64 116.09 1rbv s THR 69 Ca -0.09 -0.04 0.20 0.00 -1.21 0.00 0.00 61.69 60.55 1rbv s THR 69 Cb -0.16 -0.99 0.60 0.00 -1.51 0.00 0.00 72.50 70.45 1rbv s THR 69 CO 0.05 -0.02 1.50 -0.90 -2.21 0.00 0.00 174.62 173.04 1rbv n ASP 70 N 0.55 3.89 -4.64 8.08 5.75 -1.26 -1.80 116.55 127.12 1rbv n ASP 70 Ca -0.19 -2.06 -0.43 0.00 -0.01 0.00 0.00 54.79 52.11 1rbv n ASP 70 Cb 0.59 -0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 1rbv n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1rbv s SER 71 N -1.00 6.54 0.19 -1.12 0.15 -1.26 -4.78 113.70 112.42 1rbv s SER 71 Ca 0.45 1.84 -0.01 0.00 0.70 0.00 0.00 55.95 58.93 1rbv s SER 71 Cb 0.24 -2.53 0.10 0.00 -1.71 0.00 0.00 66.02 62.12 1rbv s SER 71 CO 0.29 -1.09 1.47 -0.61 1.20 0.00 0.00 173.24 174.51 1rbv h GLN 72 N 10.05 0.43 -0.21 5.44 4.15 -1.96 -2.56 115.11 130.44 1rbv h GLN 72 Ca -0.35 -0.32 -0.04 0.00 0.77 0.00 0.00 58.65 58.71 1rbv h GLN 72 Cb 1.16 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.89 1rbv h GLN 72 CO 0.98 0.94 -0.04 -0.92 -1.93 0.00 0.00 178.83 177.86 1rbv h TYR 73 N 0.31 0.45 -0.58 3.99 3.20 -1.98 -0.59 116.97 121.77 1rbv h TYR 73 Ca -0.02 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.78 1rbv h TYR 73 Cb 1.21 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.34 1rbv h TYR 73 CO 0.04 0.64 0.36 0.28 -1.64 0.00 0.00 178.16 177.84 1rbv h VAL 74 N 0.13 1.09 -0.34 1.81 2.07 -1.93 -0.99 116.25 118.09 1rbv h VAL 74 Ca 0.05 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.36 1rbv h VAL 74 Cb 0.49 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1rbv h VAL 74 CO 0.02 0.13 0.13 -0.09 0.02 0.00 0.00 177.57 177.78 1rbv h ARG 75 N 0.72 0.27 -0.49 1.57 2.43 -1.12 -0.91 114.38 116.85 1rbv h ARG 75 Ca 0.22 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.26 1rbv h ARG 75 Cb -0.02 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1rbv h ARG 75 CO -0.08 0.18 -0.15 1.96 -1.51 0.00 0.00 179.97 180.37 1rbv h GLN 76 N 0.28 0.94 0.05 0.20 4.20 -0.92 -0.25 115.11 119.60 1rbv h GLN 76 Ca 0.15 -0.35 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 1rbv h GLN 76 Cb 0.11 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1rbv h GLN 76 CO -0.15 1.01 -0.02 0.78 -0.67 0.00 0.00 178.83 179.78 1rbv h GLY 77 N 0.94 -0.07 1.30 3.46 0.00 -0.81 0.31 103.07 108.19 1rbv h GLY 77 Ca 0.12 0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.38 1rbv h GLY 77 CO 0.05 -0.02 -0.15 -2.22 0.00 0.00 0.00 176.54 174.20 1rbv h ILE 78 N -0.09 1.26 0.00 2.60 1.08 -1.06 0.61 117.51 121.91 1rbv h ILE 78 Ca -0.01 -1.24 -0.22 0.00 -0.39 0.00 0.00 64.86 63.00 1rbv h ILE 78 Cb 0.08 1.08 -0.04 0.00 -3.07 0.00 0.00 36.82 34.87 1rbv h ILE 78 CO 0.01 0.42 -1.98 0.35 -0.69 0.00 0.00 178.15 176.26 1rbv n THR 79 N -4.14 1.01 0.00 -0.27 -2.24 -0.12 -4.74 114.28 103.78 1rbv n THR 79 Ca 0.01 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 1rbv n THR 79 Cb 0.39 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 1rbv n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rbv n GLN 80 N -2.69 1.41 -0.09 -0.78 6.02 0.10 -4.97 117.38 116.39 1rbv n GLN 80 Ca -0.19 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.71 1rbv n GLN 80 Cb 0.92 -0.95 -0.03 0.00 1.02 0.00 0.00 30.24 31.20 1rbv n GLN 80 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1rbv n TRP 81 N -1.50 0.11 -0.38 1.08 8.01 -0.86 -4.76 117.44 119.14 1rbv n TRP 81 Ca 0.00 0.05 -0.03 0.00 -1.31 0.00 0.00 57.50 56.21 1rbv n TRP 81 Cb 0.12 -0.55 0.01 0.00 -2.01 0.00 0.00 31.31 28.88 1rbv n TRP 81 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.69 175.79 1rbv n ILE 82 N -4.47 -0.55 -0.21 -0.99 5.41 0.17 -1.51 119.36 117.21 1rbv n ILE 82 Ca -0.15 2.31 0.02 0.00 1.00 0.00 0.00 62.75 65.93 1rbv n ILE 82 Cb 0.51 -3.01 0.13 0.00 -0.71 0.00 0.00 39.64 36.56 1rbv n ILE 82 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 1rbv h HIS 83 N 0.00 0.29 -0.34 1.39 2.76 -1.87 -1.42 115.15 115.96 1rbv h HIS 83 Ca 0.30 0.04 -0.15 0.00 -2.20 0.00 0.00 60.37 58.35 1rbv h HIS 83 Cb 0.54 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.46 1rbv h HIS 83 CO -0.89 0.00 -0.39 -0.91 -1.30 0.00 0.00 177.93 174.44 1rbv h ASN 84 N 0.31 0.86 0.10 3.26 2.35 -1.68 -3.16 115.58 117.63 1rbv h ASN 84 Ca 0.34 -0.39 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 1rbv h ASN 84 Cb 0.50 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1rbv h ASN 84 CO -0.39 1.15 -0.34 -0.50 -1.65 0.00 0.00 177.43 175.69 1rbv h TRP 85 N 0.66 0.39 -0.30 1.19 6.55 -0.78 -2.40 115.95 121.26 1rbv h TRP 85 Ca 0.05 -0.09 -0.12 0.00 0.95 0.00 0.00 58.89 59.68 1rbv h TRP 85 Cb 0.96 -0.09 -0.01 0.00 -0.86 0.00 0.00 29.16 29.15 1rbv h TRP 85 CO 0.05 0.65 -0.31 0.87 -1.05 0.00 0.00 178.44 178.65 1rbv h LYS 86 N 0.29 0.64 -0.27 0.49 1.57 -1.24 1.07 116.57 119.12 1rbv h LYS 86 Ca 0.04 -0.29 -0.13 0.00 -1.87 0.00 0.00 60.65 58.40 1rbv h LYS 86 Cb 0.75 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1rbv h LYS 86 CO 0.06 0.88 -0.37 0.87 -0.57 0.00 0.00 179.45 180.31 1rbv h LYS 87 N 0.55 0.60 -0.32 3.15 1.79 -1.52 -2.91 116.57 117.91 1rbv h LYS 87 Ca 0.06 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1rbv h LYS 87 Cb 0.81 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 1rbv h LYS 87 CO 0.07 0.88 0.00 0.54 -1.08 0.00 0.00 179.45 179.86 1rbv n ARG 88 N -4.05 1.90 -2.61 3.15 1.74 -0.91 -4.93 116.66 110.94 1rbv n ARG 88 Ca -0.01 -1.38 -0.12 0.00 -0.77 0.00 0.00 57.85 55.57 1rbv n ARG 88 Cb 0.50 -1.35 0.02 0.00 -1.02 0.00 0.00 32.46 30.60 1rbv n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rbv n GLY 89 N 1.16 0.00 3.48 -0.13 0.00 -0.82 -3.63 105.19 105.26 1rbv n GLY 89 Ca 0.15 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 1rbv n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1rbv n TRP 90 N -3.95 -2.59 -4.33 1.61 7.02 0.36 -4.99 117.44 110.58 1rbv n TRP 90 Ca -0.07 0.96 -0.22 0.00 -1.02 0.00 0.00 57.50 57.15 1rbv n TRP 90 Cb 0.57 -4.95 -0.11 0.00 -2.42 0.00 0.00 31.31 24.40 1rbv n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1rbv s LYS 91 N -5.96 1.26 0.77 -0.99 1.02 -1.24 -1.70 119.74 112.89 1rbv s LYS 91 Ca 0.38 -1.39 -0.09 0.00 0.02 0.00 0.00 55.97 54.89 1rbv s LYS 91 Cb -0.17 -1.31 0.08 0.00 -0.52 0.00 0.00 37.83 35.91 1rbv s LYS 91 CO 0.71 0.27 1.11 0.95 -0.92 0.00 0.00 175.35 177.46 1rbv s THR 92 N -2.02 2.13 0.19 2.17 -4.23 0.18 -4.79 115.64 109.28 1rbv s THR 92 Ca 0.15 -0.14 0.35 0.00 -1.18 0.00 0.00 61.69 60.87 1rbv s THR 92 Cb -0.06 -2.99 0.38 0.00 1.34 0.00 0.00 72.50 71.17 1rbv s THR 92 CO 0.06 0.00 2.06 0.00 -0.54 0.00 0.00 174.62 176.20 1rbv h ALA 93 N -0.86 1.00 -0.53 3.99 0.00 -2.01 -1.69 119.26 119.15 1rbv h ALA 93 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1rbv h ALA 93 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1rbv h ALA 93 CO 0.61 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.46 1rbv n ASP 94 N -2.93 4.88 -1.72 0.00 5.68 -1.26 -4.91 116.55 116.29 1rbv n ASP 94 Ca -0.01 -2.68 -0.15 0.00 -0.50 0.00 0.00 54.79 51.46 1rbv n ASP 94 Cb 0.20 -0.63 -0.01 0.00 -1.14 0.00 0.00 41.12 39.55 1rbv n ASP 94 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rbv n ALA 95 N 0.70 -0.45 -2.55 2.12 0.00 -0.64 -5.03 120.51 114.67 1rbv n ALA 95 Ca 0.24 0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.58 1rbv n ALA 95 Cb 0.99 -1.76 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 1rbv n ALA 95 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1rbv s LYS 96 N -4.77 2.55 0.35 0.00 1.02 -1.25 -4.81 119.74 112.82 1rbv s LYS 96 Ca 0.01 -1.40 -0.28 0.00 0.02 0.00 0.00 55.97 54.31 1rbv s LYS 96 Cb -0.00 -2.32 -0.11 0.00 -0.52 0.00 0.00 37.83 34.88 1rbv s LYS 96 CO 0.01 0.15 1.49 -2.14 -0.92 0.00 0.00 175.35 173.93 1rbv s PRO 97 N -3.89 4.14 0.77 -1.68 0.02 -1.26 0.50 135.00 133.59 1rbv s PRO 97 Ca 0.38 2.53 -0.13 0.00 0.02 0.00 0.00 61.00 63.80 1rbv s PRO 97 Cb -0.04 -2.99 0.06 0.00 0.02 0.00 0.00 34.50 31.54 1rbv s PRO 97 CO 0.24 -0.51 1.15 0.14 -0.33 0.00 0.00 177.00 177.69 1rbv s VAL 98 N -0.91 2.64 0.16 3.83 -7.23 -0.69 -4.70 120.40 113.50 1rbv s VAL 98 Ca 0.54 0.26 -0.32 0.00 -1.81 0.00 0.00 61.98 60.66 1rbv s VAL 98 Cb -0.46 -2.68 -0.10 0.00 0.56 0.00 0.00 36.38 33.70 1rbv s VAL 98 CO 0.59 -0.21 1.59 -0.75 -0.31 0.00 0.00 175.10 176.01 1rbv s LYS 99 N -4.30 4.20 -1.47 4.82 2.20 -1.26 -2.15 119.74 121.77 1rbv s LYS 99 Ca 0.69 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 58.68 1rbv s LYS 99 Cb -0.24 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1rbv s LYS 99 CO 0.49 -0.63 0.00 0.09 -0.36 0.00 0.00 175.35 174.94 1rbv n ASN 100 N 4.09 -5.03 -0.26 1.43 3.02 -1.26 -4.87 115.26 112.38 1rbv n ASN 100 Ca 0.14 -0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.88 1rbv n ASN 100 Cb 0.38 -4.12 0.50 0.00 -0.61 0.00 0.00 39.78 35.93 1rbv n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1rbv h VAL 101 N 0.00 0.67 -0.66 2.41 3.04 -1.80 -0.66 116.25 119.25 1rbv h VAL 101 Ca -0.40 -0.15 0.06 0.00 -1.01 0.00 0.00 66.70 65.20 1rbv h VAL 101 Cb 1.29 0.20 -0.05 0.00 -2.01 0.00 0.00 31.29 30.73 1rbv h VAL 101 CO 0.48 0.08 0.37 -2.24 -1.01 0.00 0.00 177.57 175.25 1rbv h ASP 102 N 0.42 0.55 0.20 3.17 2.03 -1.89 -1.07 116.42 119.82 1rbv h ASP 102 Ca 0.49 0.03 -0.29 0.00 -0.73 0.00 0.00 57.03 56.52 1rbv h ASP 102 Cb 1.19 -0.08 0.03 0.00 -0.83 0.00 0.00 39.33 39.64 1rbv h ASP 102 CO -0.20 0.36 -1.26 -0.07 -1.03 0.00 0.00 179.24 177.04 1rbv h LEU 103 N 0.68 0.77 -0.98 0.15 3.38 -1.54 -2.67 115.31 115.11 1rbv h LEU 103 Ca 0.29 -0.91 -0.03 0.00 0.09 0.00 0.00 57.88 57.33 1rbv h LEU 103 Cb 0.17 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1rbv h LEU 103 CO -0.18 1.61 0.35 -0.50 0.09 0.00 0.00 178.44 179.82 1rbv h TRP 104 N 0.05 1.08 -0.54 1.13 -0.00 -1.25 0.22 115.95 116.64 1rbv h TRP 104 Ca -0.21 -0.05 -0.12 0.00 -0.00 0.00 0.00 58.89 58.51 1rbv h TRP 104 Cb 1.98 -0.34 -0.02 0.00 -0.00 0.00 0.00 29.16 30.79 1rbv h TRP 104 CO 0.14 0.79 -0.12 1.96 -0.00 0.00 0.00 178.44 181.21 1rbv h GLN 105 N 1.07 1.04 -0.34 0.49 4.20 -1.30 0.11 115.11 120.38 1rbv h GLN 105 Ca 0.26 -0.39 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 1rbv h GLN 105 Cb 0.12 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1rbv h GLN 105 CO -0.03 1.09 -0.04 -0.09 -0.67 0.00 0.00 178.83 179.09 1rbv h ARG 106 N 0.92 0.63 0.06 1.46 2.43 -1.06 -2.34 114.38 116.48 1rbv h ARG 106 Ca 0.14 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1rbv h ARG 106 Cb 0.70 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1rbv h ARG 106 CO 0.05 0.77 -0.03 1.25 -1.51 0.00 0.00 179.97 180.51 1rbv h LEU 107 N 0.43 -0.06 -0.89 3.80 5.85 -0.45 -2.85 115.31 121.13 1rbv h LEU 107 Ca 0.09 -0.02 0.18 0.00 0.84 0.00 0.00 57.88 58.98 1rbv h LEU 107 Cb 0.51 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.45 1rbv h LEU 107 CO 0.02 -0.03 0.45 -0.78 -0.34 0.00 0.00 178.44 177.77 1rbv h ASP 108 N -0.09 0.50 -0.46 1.25 3.58 -0.74 0.21 116.42 120.67 1rbv h ASP 108 Ca -0.01 0.12 -0.12 0.00 0.42 0.00 0.00 57.03 57.44 1rbv h ASP 108 Cb 0.07 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 1rbv h ASP 108 CO 0.01 0.15 -0.17 0.00 -2.88 0.00 0.00 179.24 176.35 1rbv h ALA 109 N 1.63 0.64 -0.22 -0.78 0.00 -1.27 -2.83 119.26 116.43 1rbv h ALA 109 Ca 0.52 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1rbv h ALA 109 Cb 0.85 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1rbv h ALA 109 CO -0.43 0.59 -0.38 0.00 0.00 0.00 0.00 179.25 179.04 1rbv h ALA 110 N 0.86 0.93 -0.65 0.00 0.00 -1.13 -3.17 119.26 116.10 1rbv h ALA 110 Ca 0.11 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1rbv h ALA 110 Cb 0.74 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1rbv h ALA 110 CO 0.06 0.62 0.16 -0.07 0.00 0.00 0.00 179.25 180.02 1rbv h LEU 111 N 0.42 0.99 0.00 0.00 3.38 -0.88 -3.21 115.31 116.01 1rbv h LEU 111 Ca 0.04 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1rbv h LEU 111 Cb 0.85 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1rbv h LEU 111 CO 0.07 0.97 0.00 0.61 0.09 0.00 0.00 178.44 180.18 1rbv n GLY 112 N -0.65 -0.88 0.04 0.83 0.00 -1.08 -2.43 105.19 101.02 1rbv n GLY 112 Ca 0.04 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1rbv n GLY 112 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rbv n GLN 113 N -0.58 1.77 -4.21 1.61 1.13 -1.21 -5.04 117.38 110.85 1rbv n GLN 113 Ca 0.03 -0.08 -0.12 0.00 -1.94 0.00 0.00 57.00 54.89 1rbv n GLN 113 Cb 0.02 -1.25 -0.10 0.00 0.11 0.00 0.00 30.24 29.02 1rbv n GLN 113 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1rbv s HIS 114 N -2.44 1.10 -0.37 1.08 3.76 -1.02 -4.34 115.29 113.06 1rbv s HIS 114 Ca 0.07 -1.17 -0.14 0.00 -0.15 0.00 0.00 55.06 53.67 1rbv s HIS 114 Cb 0.12 -0.61 0.00 0.00 1.11 0.00 0.00 32.58 33.20 1rbv s HIS 114 CO 0.63 -0.41 0.26 -0.65 -0.85 0.00 0.00 174.74 173.72 1rbv s GLN 115 N -4.01 3.23 -0.11 1.40 -0.21 -0.73 -4.99 119.66 114.23 1rbv s GLN 115 Ca 0.27 -0.83 0.00 0.00 0.02 0.00 0.00 55.36 54.83 1rbv s GLN 115 Cb 0.07 -3.87 -0.02 0.00 1.00 0.00 0.00 33.01 30.19 1rbv s GLN 115 CO 0.05 -0.59 -0.13 0.42 -2.12 0.00 0.00 175.29 172.92 1rbv s ILE 116 N 1.69 3.10 -0.17 1.08 1.01 -1.26 0.11 121.20 126.77 1rbv s ILE 116 Ca 0.05 -0.66 -0.00 0.00 0.00 0.00 0.00 60.65 60.04 1rbv s ILE 116 Cb -0.18 -2.28 -0.00 0.00 0.01 0.00 0.00 42.46 40.00 1rbv s ILE 116 CO 0.10 0.54 -0.14 -0.75 0.00 0.00 0.00 174.94 174.69 1rbv s LYS 117 N 0.11 3.23 -0.16 2.79 2.20 0.40 -4.98 119.74 123.34 1rbv s LYS 117 Ca -0.06 -0.73 -0.11 0.00 -0.36 0.00 0.00 55.97 54.71 1rbv s LYS 117 Cb -0.15 -2.68 -0.05 0.00 -1.51 0.00 0.00 37.83 33.44 1rbv s LYS 117 CO 0.05 -0.02 0.21 -1.58 -0.36 0.00 0.00 175.35 173.64 1rbv s TRP 118 N 0.93 3.49 -0.31 4.03 0.52 -1.26 -0.46 118.94 125.88 1rbv s TRP 118 Ca -0.03 0.51 0.01 0.00 0.02 0.00 0.00 56.10 56.61 1rbv s TRP 118 Cb -0.15 -2.18 0.09 0.00 -1.15 0.00 0.00 33.47 30.08 1rbv s TRP 118 CO -0.02 0.39 0.05 -2.00 0.02 0.00 0.00 176.95 175.40 1rbv s GLU 119 N -0.00 1.19 -0.49 4.98 2.12 -0.19 -4.93 118.70 121.38 1rbv s GLU 119 Ca 0.13 -1.36 -0.29 0.00 0.36 0.00 0.00 54.97 53.82 1rbv s GLU 119 Cb -0.12 -2.58 0.02 0.00 0.26 0.00 0.00 34.13 31.70 1rbv s GLU 119 CO 0.02 -0.89 1.28 -1.58 -0.54 0.00 0.00 175.26 173.56 1rbv s TRP 120 N 1.30 2.55 0.29 5.30 0.23 -1.26 -2.34 118.94 125.01 1rbv s TRP 120 Ca 0.07 0.61 0.06 0.00 -2.03 0.00 0.00 56.10 54.81 1rbv s TRP 120 Cb -0.18 -4.41 -0.02 0.00 0.03 0.00 0.00 33.47 28.89 1rbv s TRP 120 CO -0.15 -1.68 0.38 0.14 0.96 0.00 0.00 176.95 176.61 1rbv s VAL 121 N 5.14 4.45 -0.03 4.03 -7.23 -0.74 -4.98 120.40 121.04 1rbv s VAL 121 Ca 0.52 -1.08 -0.13 0.00 -1.81 0.00 0.00 61.98 59.48 1rbv s VAL 121 Cb -0.10 -3.54 -0.05 0.00 0.56 0.00 0.00 36.38 33.25 1rbv s VAL 121 CO 0.30 -0.24 0.35 -0.54 -0.31 0.00 0.00 175.10 174.66 1rbv s LYS 122 N -4.05 3.82 0.33 4.82 -0.14 -1.26 -4.16 119.74 119.10 1rbv s LYS 122 Ca 0.40 0.29 0.11 0.00 -1.36 0.00 0.00 55.97 55.40 1rbv s LYS 122 Cb -0.09 -3.22 0.98 0.00 -1.68 0.00 0.00 37.83 33.83 1rbv s LYS 122 CO 0.29 0.70 1.64 0.78 -0.76 0.00 0.00 175.35 178.01 1rbv h GLY 123 N 4.82 1.84 -0.73 -3.33 0.00 -1.97 0.35 103.07 104.04 1rbv h GLY 123 Ca -0.52 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1rbv h GLY 123 CO 0.61 -0.49 -0.02 -2.39 0.00 0.00 0.00 176.54 174.25 1rbv n HIS 124 N -5.15 0.00 -2.61 5.60 1.44 -1.26 -4.21 115.22 109.03 1rbv n HIS 124 Ca 0.29 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.93 1rbv n HIS 124 Cb 0.91 -0.01 0.04 0.00 0.12 0.00 0.00 29.99 31.06 1rbv n HIS 124 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rbv n ALA 125 N 0.36 3.26 -2.15 1.59 0.00 0.12 -5.10 120.51 118.60 1rbv n ALA 125 Ca 0.17 -3.04 -0.18 0.00 0.00 0.00 0.00 53.44 50.39 1rbv n ALA 125 Cb 0.41 -0.72 0.13 0.00 0.00 0.00 0.00 19.45 19.26 1rbv n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rbv n GLY 126 N -0.63 -0.36 3.95 0.00 0.00 -1.01 -4.50 105.19 102.64 1rbv n GLY 126 Ca 0.17 -1.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.09 1rbv n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rbv s HIS 127 N -2.88 2.65 0.56 1.61 3.76 -1.26 -4.91 115.29 114.82 1rbv s HIS 127 Ca 0.57 0.19 0.25 0.00 -0.15 0.00 0.00 55.06 55.92 1rbv s HIS 127 Cb -0.02 -3.07 1.50 0.00 1.11 0.00 0.00 32.58 32.09 1rbv s HIS 127 CO 0.39 -1.34 2.07 -1.35 -0.85 0.00 0.00 174.74 173.66 1rbv h PRO 128 N -0.42 0.00 -0.11 8.40 0.11 -2.00 -1.02 132.00 136.96 1rbv h PRO 128 Ca -0.43 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.51 1rbv h PRO 128 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1rbv h PRO 128 CO 0.54 0.00 -0.65 0.93 -0.21 0.00 0.00 178.00 178.61 1rbv h GLU 129 N 0.00 0.44 -0.47 1.05 3.07 -2.00 -2.53 114.58 114.14 1rbv h GLU 129 Ca 0.13 -0.32 -0.11 0.00 -0.50 0.00 0.00 59.36 58.56 1rbv h GLU 129 Cb 0.61 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.56 1rbv h GLU 129 CO -0.00 0.94 -0.15 -0.91 -1.40 0.00 0.00 179.01 177.49 1rbv h ASN 130 N 0.32 0.90 -0.81 1.42 4.21 -1.56 -1.44 115.58 118.62 1rbv h ASN 130 Ca -0.01 -0.30 -0.03 0.00 1.21 0.00 0.00 56.30 57.16 1rbv h ASN 130 Cb 1.21 -0.25 -0.04 0.00 -1.12 0.00 0.00 38.32 38.12 1rbv h ASN 130 CO 0.11 1.05 0.39 -0.33 -1.29 0.00 0.00 177.43 177.36 1rbv h GLU 131 N 0.80 1.18 -0.77 0.81 5.08 -1.34 -2.36 114.58 117.97 1rbv h GLU 131 Ca 0.12 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1rbv h GLU 131 Cb 0.68 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1rbv h GLU 131 CO 0.05 0.91 0.33 -0.09 -1.00 0.00 0.00 179.01 179.20 1rbv h ARG 132 N 1.16 1.14 -0.34 2.33 2.43 -1.21 -1.42 114.38 118.48 1rbv h ARG 132 Ca 0.28 -0.20 0.06 0.00 -0.81 0.00 0.00 59.98 59.31 1rbv h ARG 132 Cb 0.12 -0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 1rbv h ARG 132 CO -0.03 0.92 0.02 0.00 -1.51 0.00 0.00 179.97 179.36 1rbv h ASP 134 N 0.12 -0.07 -0.67 0.00 3.58 -1.24 0.62 116.42 118.76 1rbv h ASP 134 Ca 0.17 0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.60 1rbv h ASP 134 Cb 0.22 0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 1rbv h ASP 134 CO -0.26 -0.01 0.23 -0.08 -2.88 0.00 0.00 179.24 176.24 1rbv h GLU 135 N 0.04 1.02 -0.40 0.28 4.81 -0.77 -0.66 114.58 118.91 1rbv h GLU 135 Ca 0.07 -0.20 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 1rbv h GLU 135 Cb 0.09 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1rbv h GLU 135 CO -0.13 0.87 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.87 1rbv h LEU 136 N 0.96 0.76 -0.63 1.64 3.38 -0.19 -2.30 115.31 118.94 1rbv h LEU 136 Ca 0.22 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.89 1rbv h LEU 136 Cb 0.26 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1rbv h LEU 136 CO -0.01 0.95 0.33 0.00 0.09 0.00 0.00 178.44 179.80 1rbv h ALA 137 N 0.84 0.84 -0.38 1.53 0.00 0.56 -0.18 119.26 122.47 1rbv h ALA 137 Ca 0.10 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1rbv h ALA 137 Cb 0.61 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1rbv h ALA 137 CO 0.04 -0.01 0.03 0.00 0.00 0.00 0.00 179.25 179.31 1rbv h ARG 138 N 0.62 0.65 -0.52 0.00 3.08 -1.02 -2.80 114.38 114.40 1rbv h ARG 138 Ca 0.29 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1rbv h ARG 138 Cb 0.20 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1rbv h ARG 138 CO -0.19 0.74 0.20 0.00 -1.07 0.00 0.00 179.97 179.65 1rbv h ALA 139 N 0.89 0.67 -0.68 0.04 0.00 -1.13 -2.94 119.26 116.11 1rbv h ALA 139 Ca 0.11 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1rbv h ALA 139 Cb 0.42 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1rbv h ALA 139 CO 0.01 0.29 0.45 0.00 0.00 0.00 0.00 179.25 180.00 1rbv h ALA 140 N 1.05 1.62 0.00 0.00 0.00 -0.92 -2.03 119.26 118.98 1rbv h ALA 140 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1rbv h ALA 140 Cb 0.21 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1rbv h ALA 140 CO -0.01 0.31 -0.06 0.00 0.00 0.00 0.00 179.25 179.49 1rbv h ALA 141 N 1.60 1.04 -0.00 0.00 0.00 -1.32 -2.46 119.26 118.13 1rbv h ALA 141 Ca 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1rbv h ALA 141 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1rbv h ALA 141 CO -0.08 0.08 -0.23 -1.33 0.00 0.00 0.00 179.25 177.69 1rbv n MET 142 N -3.22 0.31 -2.90 0.00 2.81 -0.77 -4.37 117.12 108.98 1rbv n MET 142 Ca -0.00 -0.13 -0.13 0.00 -1.81 0.00 0.00 57.70 55.63 1rbv n MET 142 Cb 0.30 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.34 1rbv n MET 142 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1rbv n ASN 143 N -1.23 -1.51 -4.73 7.83 4.05 -0.93 -5.11 115.26 113.63 1rbv n ASN 143 Ca 0.09 -3.27 -0.42 0.00 0.45 0.00 0.00 54.58 51.44 1rbv n ASN 143 Cb 0.32 0.99 -0.03 0.00 1.23 0.00 0.00 39.78 42.29 1rbv n ASN 143 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1rbv s PRO 144 N -0.33 4.35 0.00 1.20 0.04 -1.17 -4.60 135.00 134.48 1rbv s PRO 144 Ca 0.31 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1rbv s PRO 144 Cb 0.26 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1rbv s PRO 144 CO -0.13 -0.35 0.01 0.25 0.04 0.00 0.00 177.00 176.82 1rbv n THR 145 N 3.30 0.00 -4.33 1.26 -2.24 -0.56 -4.76 114.28 106.95 1rbv n THR 145 Ca 0.09 -0.38 -0.24 0.00 -2.27 0.00 0.00 64.05 61.26 1rbv n THR 145 Cb 0.43 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.58 1rbv n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1rbv s LEU 146 N -1.46 3.01 -0.17 3.22 1.43 -0.67 -4.98 118.68 119.06 1rbv s LEU 146 Ca 0.00 -0.82 -0.08 0.00 -1.03 0.00 0.00 54.13 52.20 1rbv s LEU 146 Cb 0.00 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 1rbv s LEU 146 CO 0.00 -0.06 0.12 -0.70 0.23 0.00 0.00 176.35 175.95 1rbv s GLU 147 N -3.65 3.86 -0.85 1.70 2.12 -1.26 -1.61 118.70 119.00 1rbv s GLU 147 Ca 0.32 -0.20 -0.17 0.00 0.36 0.00 0.00 54.97 55.28 1rbv s GLU 147 Cb -0.04 -3.30 0.16 0.00 0.26 0.00 0.00 34.13 31.20 1rbv s GLU 147 CO 0.19 0.49 0.96 0.34 -0.54 0.00 0.00 175.26 176.69 1rbv s ASP 148 N -0.19 6.62 0.11 -1.70 2.15 -1.26 -4.90 116.67 117.50 1rbv s ASP 148 Ca 0.10 -2.19 -0.26 0.00 0.43 0.00 0.00 52.55 50.64 1rbv s ASP 148 Cb -0.11 -2.32 -0.09 0.00 -0.30 0.00 0.00 42.92 40.09 1rbv s ASP 148 CO 0.01 -0.91 1.66 0.74 -0.17 0.00 0.00 175.17 176.50 1rbv h THR 149 N 5.48 0.56 0.00 1.71 2.02 -1.96 -2.89 112.91 117.84 1rbv h THR 149 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 1rbv h THR 149 Cb 1.04 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1rbv h THR 149 CO 0.98 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.48 1rbv n GLY 150 N -1.32 -0.34 3.76 2.16 0.00 -1.26 -4.84 105.19 103.35 1rbv n GLY 150 Ca -0.06 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 1rbv n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rbv s TYR 151 N -2.02 3.74 -0.01 1.61 5.04 -1.09 -4.97 117.35 119.64 1rbv s TYR 151 Ca 0.16 1.79 0.01 0.00 -2.44 0.00 0.00 57.07 56.58 1rbv s TYR 151 Cb 0.07 -3.14 0.01 0.00 0.35 0.00 0.00 41.96 39.25 1rbv s TYR 151 CO 0.12 -0.11 -0.01 -0.65 -1.34 0.00 0.00 175.55 173.56 1rbv s GLN 152 N -1.42 0.18 0.41 4.97 -0.21 -1.26 -4.99 119.66 117.34 1rbv s GLN 152 Ca 0.44 -0.02 0.22 0.00 0.02 0.00 0.00 55.36 56.02 1rbv s GLN 152 Cb -0.28 -0.24 0.79 0.00 1.00 0.00 0.00 33.01 34.28 1rbv s GLN 152 CO 0.36 -0.01 1.77 0.28 -2.12 0.00 0.00 175.29 175.57 1rbv h VAL 153 N 5.44 0.64 0.00 1.09 2.07 -2.03 -3.44 116.25 120.02 1rbv h VAL 153 Ca -0.31 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1rbv h VAL 153 Cb 1.18 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1rbv h VAL 153 CO 0.50 0.27 0.00 -0.62 0.02 0.00 0.00 177.57 177.74 1rbv n GLU 154 N -3.41 3.26 0.00 1.57 4.71 -1.26 -5.20 120.64 120.32 1rbv n GLU 154 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1rbv n GLU 154 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.90 1rbv n GLU 154 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50