#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rbs s LEU 2 N 0.00 4.45 0.00 -0.89 1.43 -1.26 -4.93 118.68 117.48 1rbs s LEU 2 Ca 0.00 2.07 0.29 0.00 -1.03 0.00 0.00 54.13 55.46 1rbs s LEU 2 Cb 0.00 -3.80 1.28 0.00 0.03 0.00 0.00 46.19 43.70 1rbs s LEU 2 CO 0.00 -0.13 1.87 0.29 0.23 0.00 0.00 176.35 178.61 1rbs n LYS 3 N 0.89 1.42 -3.88 1.70 4.76 -1.26 -4.79 118.16 117.01 1rbs n LYS 3 Ca 0.00 -0.66 -0.13 0.00 -2.87 0.00 0.00 58.31 54.65 1rbs n LYS 3 Cb 0.47 -1.49 -0.14 0.00 -1.84 0.00 0.00 35.03 32.03 1rbs n LYS 3 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1rbs s GLN 4 N -2.03 0.03 0.04 1.97 0.74 -1.26 -4.94 119.66 114.21 1rbs s GLN 4 Ca 0.40 0.02 -0.30 0.00 0.05 0.00 0.00 55.36 55.53 1rbs s GLN 4 Cb 0.21 -0.09 -0.06 0.00 1.10 0.00 0.00 33.01 34.17 1rbs s GLN 4 CO 0.36 -0.03 1.33 0.08 -0.55 0.00 0.00 175.29 176.48 1rbs s VAL 5 N 0.22 3.75 -0.13 1.34 1.01 -0.44 -4.95 120.40 121.19 1rbs s VAL 5 Ca -0.02 1.19 -0.03 0.00 0.00 0.00 0.00 61.98 63.13 1rbs s VAL 5 Cb -0.03 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1rbs s VAL 5 CO -0.01 0.04 -0.04 -1.61 0.00 0.00 0.00 175.10 173.49 1rbs s GLU 6 N 1.74 3.41 -0.06 2.72 2.02 -0.83 -2.15 118.70 125.55 1rbs s GLU 6 Ca 0.62 -0.51 0.04 0.00 0.02 0.00 0.00 54.97 55.13 1rbs s GLU 6 Cb -0.32 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.08 1rbs s GLU 6 CO 0.28 0.38 -0.16 0.42 0.02 0.00 0.00 175.26 176.19 1rbs s ILE 7 N -0.02 1.41 -0.05 -1.63 1.01 -0.80 0.34 121.20 121.47 1rbs s ILE 7 Ca 0.01 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.01 1rbs s ILE 7 Cb -0.13 -1.23 0.01 0.00 0.01 0.00 0.00 42.46 41.11 1rbs s ILE 7 CO 0.03 0.41 -0.12 -0.36 0.00 0.00 0.00 174.94 174.90 1rbs s PHE 8 N 0.27 1.34 0.04 3.97 0.40 -0.69 -0.10 117.98 123.20 1rbs s PHE 8 Ca -0.09 -0.42 -0.05 0.00 -0.60 0.00 0.00 56.93 55.78 1rbs s PHE 8 Cb -0.14 -0.95 -0.01 0.00 0.51 0.00 0.00 43.02 42.43 1rbs s PHE 8 CO 0.03 -0.19 0.07 0.95 0.70 0.00 0.00 175.22 176.79 1rbs s THR 9 N 0.38 0.14 0.11 0.64 -4.23 -0.86 -0.78 115.64 111.04 1rbs s THR 9 Ca -0.08 -1.16 -0.25 0.00 -1.18 0.00 0.00 61.69 59.02 1rbs s THR 9 Cb -0.12 -0.92 0.07 0.00 1.34 0.00 0.00 72.50 72.87 1rbs s THR 9 CO 0.02 -0.64 0.63 -0.62 -0.54 0.00 0.00 174.62 173.48 1rbs s ASP 10 N -2.17 -0.57 0.10 3.99 -1.08 -0.87 -4.44 116.67 111.62 1rbs s ASP 10 Ca -0.04 0.13 -0.10 0.00 -0.52 0.00 0.00 52.55 52.02 1rbs s ASP 10 Cb -0.01 0.58 0.00 0.00 -1.46 0.00 0.00 42.92 42.03 1rbs s ASP 10 CO -0.05 -0.88 0.22 -0.83 0.52 0.00 0.00 175.17 174.15 1rbs s GLY 11 N -2.44 0.04 0.08 2.66 0.00 -1.26 -1.50 107.32 104.90 1rbs s GLY 11 Ca -0.01 -0.54 -0.18 0.00 0.00 0.00 0.00 44.72 43.99 1rbs s GLY 11 CO -0.08 -0.73 0.42 -0.45 0.00 0.00 0.00 173.10 172.26 1rbs s SER 12 N -2.85 -0.29 -0.26 1.64 0.15 -0.53 -4.76 113.70 106.81 1rbs s SER 12 Ca 0.05 -0.10 -0.22 0.00 0.70 0.00 0.00 55.95 56.38 1rbs s SER 12 Cb 0.04 0.45 0.07 0.00 -1.71 0.00 0.00 66.02 64.87 1rbs s SER 12 CO -0.11 -0.74 0.68 0.00 1.20 0.00 0.00 173.24 174.27 1rbs h LEU 14 N 5.39 0.00 0.00 0.00 3.38 -1.61 -3.47 115.31 119.00 1rbs h LEU 14 Ca -0.29 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 1rbs h LEU 14 Cb 1.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1rbs h LEU 14 CO 0.09 0.03 -0.01 0.61 0.09 0.00 0.00 178.44 179.25 1rbs n GLY 15 N 1.27 2.35 2.53 0.83 0.00 -1.26 -4.95 105.19 105.96 1rbs n GLY 15 Ca 0.04 -1.36 -0.28 0.00 0.00 0.00 0.00 46.02 44.42 1rbs n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rbs s ASN 16 N -1.91 2.56 0.68 1.61 2.47 -1.26 -3.38 114.94 115.71 1rbs s ASN 16 Ca 0.11 -2.99 -0.06 0.00 0.42 0.00 0.00 52.86 50.34 1rbs s ASN 16 Cb -0.01 -0.71 0.05 0.00 -1.45 0.00 0.00 41.25 39.13 1rbs s ASN 16 CO 0.08 -0.19 0.99 -2.16 -3.72 0.00 0.00 177.10 172.09 1rbs s PRO 17 N 0.02 2.31 0.13 0.43 0.04 -1.26 -5.10 135.00 131.57 1rbs s PRO 17 Ca 0.27 -0.25 -0.23 0.00 0.04 0.00 0.00 61.00 60.83 1rbs s PRO 17 Cb -0.06 -2.20 0.08 0.00 0.04 0.00 0.00 34.50 32.36 1rbs s PRO 17 CO -0.13 -1.14 1.10 0.41 0.04 0.00 0.00 177.00 177.29 1rbs n GLY 18 N -2.85 0.49 3.77 0.56 0.00 -0.47 -4.82 105.19 101.87 1rbs n GLY 18 Ca 0.08 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.57 1rbs n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rbs s PRO 19 N -2.04 4.22 0.23 1.61 0.04 -1.17 0.11 135.00 137.99 1rbs s PRO 19 Ca 0.25 2.35 -0.17 0.00 0.04 0.00 0.00 61.00 63.47 1rbs s PRO 19 Cb -0.02 -3.00 0.02 0.00 0.04 0.00 0.00 34.50 31.53 1rbs s PRO 19 CO 0.04 -0.35 0.55 0.20 0.04 0.00 0.00 177.00 177.48 1rbs s GLY 20 N -0.38 0.12 0.35 0.56 0.00 -0.01 -1.67 107.32 106.28 1rbs s GLY 20 Ca 0.51 -0.46 -0.08 0.00 0.00 0.00 0.00 44.72 44.69 1rbs s GLY 20 CO 0.57 -0.35 0.59 0.61 0.00 0.00 0.00 173.10 174.52 1rbs n GLY 21 N -0.38 1.61 3.05 0.20 0.00 -0.17 0.63 105.19 110.14 1rbs n GLY 21 Ca -0.06 -1.42 -0.08 0.00 0.00 0.00 0.00 46.02 44.46 1rbs n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rbs s TYR 22 N -2.91 0.35 -0.02 1.61 -0.85 -1.05 -1.45 117.35 113.03 1rbs s TYR 22 Ca 0.21 -0.74 0.01 0.00 -0.52 0.00 0.00 57.07 56.03 1rbs s TYR 22 Cb -0.03 -0.26 0.02 0.00 0.38 0.00 0.00 41.96 42.07 1rbs s TYR 22 CO 0.15 -0.30 -0.02 0.20 -1.52 0.00 0.00 175.55 174.06 1rbs s GLY 23 N -2.18 0.23 -0.02 5.49 0.00 -0.56 -3.39 107.32 106.89 1rbs s GLY 23 Ca -0.05 0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.70 1rbs s GLY 23 CO -0.05 0.30 0.01 0.00 0.00 0.00 0.00 173.10 173.36 1rbs s ALA 24 N 0.57 0.11 -0.14 3.20 0.00 -0.20 -2.06 121.76 123.25 1rbs s ALA 24 Ca -0.06 0.19 -0.01 0.00 0.00 0.00 0.00 51.96 52.08 1rbs s ALA 24 Cb -0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1rbs s ALA 24 CO -0.01 -0.07 -0.11 0.42 0.00 0.00 0.00 175.76 175.99 1rbs s ILE 25 N 0.75 3.19 -0.13 0.00 1.01 0.04 -1.87 121.20 124.19 1rbs s ILE 25 Ca -0.06 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 59.99 1rbs s ILE 25 Cb -0.09 -2.36 0.02 0.00 0.01 0.00 0.00 42.46 40.04 1rbs s ILE 25 CO -0.02 0.52 -0.17 -0.22 0.00 0.00 0.00 174.94 175.05 1rbs s LEU 26 N 0.39 1.83 -0.46 2.97 2.96 0.15 -1.71 118.68 124.82 1rbs s LEU 26 Ca -0.09 -0.50 -0.09 0.00 -0.22 0.00 0.00 54.13 53.23 1rbs s LEU 26 Cb -0.16 -1.22 0.11 0.00 0.50 0.00 0.00 46.19 45.43 1rbs s LEU 26 CO 0.05 0.01 0.32 -0.13 -1.32 0.00 0.00 176.35 175.29 1rbs s ARG 27 N 1.07 2.50 -0.02 1.98 0.52 0.15 -0.87 118.95 124.29 1rbs s ARG 27 Ca -0.04 -1.69 0.01 0.00 -0.52 0.00 0.00 55.73 53.49 1rbs s ARG 27 Cb -0.14 -3.89 0.01 0.00 0.52 0.00 0.00 34.95 31.44 1rbs s ARG 27 CO -0.04 -1.14 -0.03 -0.47 0.02 0.00 0.00 175.30 173.64 1rbs s TYR 28 N 1.38 0.47 0.00 -0.53 5.04 -1.15 -1.96 117.35 120.60 1rbs s TYR 28 Ca 0.05 -0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.59 1rbs s TYR 28 Cb -0.25 -0.40 0.00 0.00 0.35 0.00 0.00 41.96 41.66 1rbs s TYR 28 CO -0.00 -0.08 0.00 0.54 -1.34 0.00 0.00 175.55 174.67 1rbs n ARG 29 N 3.52 0.00 -0.06 4.97 5.12 -1.26 -2.68 116.66 126.27 1rbs n ARG 29 Ca -0.20 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.76 1rbs n ARG 29 Cb 0.54 0.00 0.07 0.00 -1.16 0.00 0.00 32.46 31.91 1rbs n ARG 29 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rbs n GLY 30 N 0.00 3.62 3.84 -0.13 0.00 -1.26 -4.62 105.19 106.65 1rbs n GLY 30 Ca 0.00 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 1rbs n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rbs s ARG 31 N -1.68 2.25 -0.21 1.61 0.52 -1.09 -5.08 118.95 115.27 1rbs s ARG 31 Ca 0.14 -2.04 -0.00 0.00 -0.52 0.00 0.00 55.73 53.31 1rbs s ARG 31 Cb 0.11 -1.97 0.06 0.00 0.52 0.00 0.00 34.95 33.67 1rbs s ARG 31 CO 0.03 -0.45 -0.04 -2.00 0.02 0.00 0.00 175.30 172.86 1rbs s GLU 32 N -4.12 1.44 -0.14 3.54 2.12 -1.26 -2.91 118.70 117.37 1rbs s GLU 32 Ca 0.30 -0.79 -0.07 0.00 0.36 0.00 0.00 54.97 54.76 1rbs s GLU 32 Cb -0.00 -2.39 -0.04 0.00 0.26 0.00 0.00 34.13 31.96 1rbs s GLU 32 CO 0.18 -0.57 0.13 0.15 -0.54 0.00 0.00 175.26 174.61 1rbs s LYS 33 N 1.52 3.58 -0.10 4.30 1.02 -0.05 -4.94 119.74 125.07 1rbs s LYS 33 Ca -0.04 -0.16 0.04 0.00 0.02 0.00 0.00 55.97 55.83 1rbs s LYS 33 Cb -0.18 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 1rbs s LYS 33 CO -0.07 0.67 -0.23 0.99 -0.92 0.00 0.00 175.35 175.79 1rbs s THR 34 N -0.73 2.04 -0.02 2.17 2.01 -1.26 0.33 115.64 120.18 1rbs s THR 34 Ca 0.13 -1.00 0.07 0.00 0.31 0.00 0.00 61.69 61.20 1rbs s THR 34 Cb -0.12 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 1rbs s THR 34 CO 0.03 0.55 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.92 1rbs s PHE 35 N 0.42 2.05 -0.29 4.92 0.40 -0.78 -5.02 117.98 119.68 1rbs s PHE 35 Ca -0.17 -0.39 -0.21 0.00 -0.60 0.00 0.00 56.93 55.56 1rbs s PHE 35 Cb -0.18 -1.32 0.14 0.00 0.51 0.00 0.00 43.02 42.17 1rbs s PHE 35 CO 0.07 -0.04 1.03 0.45 0.70 0.00 0.00 175.22 177.44 1rbs s SER 36 N -0.53 -0.45 0.00 1.36 0.15 -1.26 -1.03 113.70 111.95 1rbs s SER 36 Ca 0.08 0.79 -0.17 0.00 0.70 0.00 0.00 55.95 57.36 1rbs s SER 36 Cb -0.09 0.98 0.03 0.00 -1.71 0.00 0.00 66.02 65.23 1rbs s SER 36 CO -0.01 -0.13 0.37 0.00 1.20 0.00 0.00 173.24 174.67 1rbs s ALA 37 N 0.73 -0.92 0.06 5.45 0.00 -1.22 -5.02 121.76 120.84 1rbs s ALA 37 Ca -0.02 0.38 0.06 0.00 0.00 0.00 0.00 51.96 52.37 1rbs s ALA 37 Cb -0.04 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1rbs s ALA 37 CO -0.11 -0.34 -0.10 0.20 0.00 0.00 0.00 175.76 175.41 1rbs s GLY 38 N -1.57 1.75 -0.03 0.00 0.00 -1.25 -2.53 107.32 103.68 1rbs s GLY 38 Ca -0.10 -1.16 0.04 0.00 0.00 0.00 0.00 44.72 43.50 1rbs s GLY 38 CO 0.02 -1.09 -0.15 -0.19 0.00 0.00 0.00 173.10 171.69 1rbs s TYR 39 N -1.10 1.43 0.21 1.90 1.51 0.21 -1.71 117.35 119.80 1rbs s TYR 39 Ca 0.19 -0.35 -0.09 0.00 -1.01 0.00 0.00 57.07 55.81 1rbs s TYR 39 Cb -0.11 -0.96 0.25 0.00 -0.11 0.00 0.00 41.96 41.03 1rbs s TYR 39 CO 0.11 -0.10 1.81 1.79 -1.11 0.00 0.00 175.55 178.04 1rbs h THR 40 N 5.12 0.98 -2.64 -0.71 1.35 -1.46 0.00 112.91 115.54 1rbs h THR 40 Ca -0.34 -0.24 -0.35 0.00 -0.55 0.00 0.00 66.41 64.93 1rbs h THR 40 Cb 1.17 0.20 -0.37 0.00 -1.73 0.00 0.00 68.15 67.42 1rbs h THR 40 CO 0.48 0.13 -0.66 -0.60 -0.25 0.00 0.00 175.52 174.63 1rbs s ARG 41 N -6.09 0.16 0.00 4.72 3.52 -1.26 -3.06 118.95 116.94 1rbs s ARG 41 Ca -0.13 0.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.60 1rbs s ARG 41 Cb 0.16 -1.35 0.00 0.00 -1.56 0.00 0.00 34.95 32.20 1rbs s ARG 41 CO 0.76 -0.67 0.00 -2.37 -0.81 0.00 0.00 175.30 172.22 1rbs n THR 42 N 5.31 0.00 -4.32 4.11 5.66 0.29 -4.45 114.28 120.88 1rbs n THR 42 Ca -0.06 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.77 1rbs n THR 42 Cb 0.49 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.17 1rbs n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1rbs s THR 43 N -2.53 0.90 0.06 1.09 -4.23 -1.26 -1.37 115.64 108.30 1rbs s THR 43 Ca 0.00 -2.02 -0.26 0.00 -1.18 0.00 0.00 61.69 58.24 1rbs s THR 43 Cb 0.00 -2.41 -0.17 0.00 1.34 0.00 0.00 72.50 71.26 1rbs s THR 43 CO 0.00 -0.25 1.60 -1.13 -0.54 0.00 0.00 174.62 174.31 1rbs h ASN 44 N 2.45 -0.21 -0.92 3.99 -1.24 -1.87 -3.02 115.58 114.78 1rbs h ASN 44 Ca -0.38 -0.07 0.12 0.00 0.71 0.00 0.00 56.30 56.68 1rbs h ASN 44 Cb 1.23 0.05 -0.08 0.00 0.73 0.00 0.00 38.32 40.25 1rbs h ASN 44 CO 0.64 -0.06 0.54 0.78 -1.29 0.00 0.00 177.43 178.04 1rbs h ASN 45 N -0.34 0.76 -0.30 1.15 -0.26 -1.96 -1.78 115.58 112.84 1rbs h ASN 45 Ca -0.02 0.06 -0.10 0.00 -0.56 0.00 0.00 56.30 55.68 1rbs h ASN 45 Cb 0.26 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.42 1rbs h ASN 45 CO 0.04 0.39 -0.15 0.03 -1.06 0.00 0.00 177.43 176.68 1rbs h ARG 46 N 0.84 0.75 -0.30 0.81 3.08 -1.98 -2.39 114.38 115.19 1rbs h ARG 46 Ca 0.47 -0.26 -0.16 0.00 0.07 0.00 0.00 59.98 60.09 1rbs h ARG 46 Cb 0.52 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1rbs h ARG 46 CO -0.29 0.85 -0.44 0.52 -1.07 0.00 0.00 179.97 179.54 1rbs h MET 47 N 0.67 0.83 -0.25 0.04 2.86 -1.24 -0.49 114.93 117.34 1rbs h MET 47 Ca 0.11 -0.49 -0.07 0.00 -2.06 0.00 0.00 59.70 57.18 1rbs h MET 47 Cb 0.62 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1rbs h MET 47 CO 0.04 1.13 -0.17 0.93 1.06 0.00 0.00 176.91 179.90 1rbs h GLU 48 N 0.60 0.43 -0.13 1.72 5.08 -1.32 -0.23 114.58 120.74 1rbs h GLU 48 Ca 0.03 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1rbs h GLU 48 Cb 1.05 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1rbs h GLU 48 CO 0.10 0.59 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.36 1rbs h LEU 49 N 0.40 0.46 -2.12 1.33 3.38 -1.35 -3.05 115.31 114.36 1rbs h LEU 49 Ca 0.07 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 1rbs h LEU 49 Cb 0.53 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1rbs h LEU 49 CO 0.03 0.94 -0.00 -0.03 0.09 0.00 0.00 178.44 179.47 1rbs h MET 50 N 0.00 0.00 0.48 1.13 4.05 -0.61 -2.26 114.93 117.72 1rbs h MET 50 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1rbs h MET 50 Cb 0.87 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.67 1rbs h MET 50 CO 0.06 0.00 -0.23 0.00 0.23 0.00 0.00 176.91 176.97 1rbs h ALA 51 N 2.00 -0.65 -0.76 0.39 0.00 -0.93 -2.70 119.26 116.60 1rbs h ALA 51 Ca -0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1rbs h ALA 51 Cb 0.01 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1rbs h ALA 51 CO 0.00 -0.83 0.25 0.00 0.00 0.00 0.00 179.25 178.67 1rbs h ALA 52 N -0.22 1.00 0.41 0.00 0.00 -1.55 -3.04 119.26 115.85 1rbs h ALA 52 Ca -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1rbs h ALA 52 Cb 0.53 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1rbs h ALA 52 CO 0.11 0.67 -0.20 0.82 0.00 0.00 0.00 179.25 180.66 1rbs h ILE 53 N 1.13 0.60 -0.93 0.00 2.04 -1.35 -1.85 117.51 117.16 1rbs h ILE 53 Ca 0.25 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 66.03 1rbs h ILE 53 Cb 0.30 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 36.99 1rbs h ILE 53 CO -0.01 0.03 0.58 0.58 0.00 0.00 0.00 178.15 179.33 1rbs h VAL 54 N -0.63 1.05 -0.27 1.67 2.07 -1.54 0.25 116.25 118.85 1rbs h VAL 54 Ca -0.06 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 1rbs h VAL 54 Cb 0.46 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1rbs h VAL 54 CO 0.09 0.19 -0.06 0.00 0.02 0.00 0.00 177.57 177.81 1rbs h ALA 55 N 1.44 0.37 -0.29 1.67 0.00 -1.50 -3.05 119.26 117.89 1rbs h ALA 55 Ca 0.41 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1rbs h ALA 55 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1rbs h ALA 55 CO -0.18 0.18 -0.26 -0.07 0.00 0.00 0.00 179.25 178.91 1rbs h LEU 56 N 0.27 0.73 -1.25 0.00 3.38 -1.05 -2.82 115.31 114.56 1rbs h LEU 56 Ca 0.07 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1rbs h LEU 56 Cb 0.53 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1rbs h LEU 56 CO 0.03 1.04 0.00 -0.62 0.09 0.00 0.00 178.44 178.98 1rbs n GLU 57 N -4.29 0.14 0.07 1.13 1.02 0.84 -0.81 120.64 118.74 1rbs n GLU 57 Ca -0.04 0.60 0.13 0.00 -0.02 0.00 0.00 57.16 57.83 1rbs n GLU 57 Cb 0.45 -1.92 0.48 0.00 -0.02 0.00 0.00 31.44 30.43 1rbs n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rbs n ALA 58 N -1.76 2.24 -2.59 0.62 0.00 -1.06 -4.72 120.51 113.24 1rbs n ALA 58 Ca -0.01 -0.04 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 1rbs n ALA 58 Cb 0.06 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.02 1rbs n ALA 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rbs s LEU 59 N -3.98 3.79 0.01 0.00 1.43 0.01 -4.92 118.68 115.02 1rbs s LEU 59 Ca 0.11 0.23 0.27 0.00 -1.03 0.00 0.00 54.13 53.71 1rbs s LEU 59 Cb 0.14 -3.32 0.91 0.00 0.03 0.00 0.00 46.19 43.96 1rbs s LEU 59 CO 0.55 -1.20 1.71 0.29 0.23 0.00 0.00 176.35 177.93 1rbs n LYS 60 N 7.63 0.02 -4.21 1.70 4.76 -1.26 -4.89 118.16 121.91 1rbs n LYS 60 Ca 0.09 0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.41 1rbs n LYS 60 Cb 0.49 -1.52 -0.10 0.00 -1.84 0.00 0.00 35.03 32.06 1rbs n LYS 60 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1rbs s GLU 61 N -3.01 1.21 0.25 1.97 1.03 -1.26 -5.11 118.70 113.77 1rbs s GLU 61 Ca 0.12 -1.63 -0.30 0.00 0.03 0.00 0.00 54.97 53.19 1rbs s GLU 61 Cb 0.18 0.19 -0.10 0.00 -0.80 0.00 0.00 34.13 33.60 1rbs s GLU 61 CO 0.60 -0.36 1.43 0.00 -1.33 0.00 0.00 175.26 175.61 1rbs s ALA 62 N -4.09 3.62 0.20 -0.84 0.00 -1.26 -4.95 121.76 114.44 1rbs s ALA 62 Ca 0.37 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.66 1rbs s ALA 62 Cb 0.07 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1rbs s ALA 62 CO 0.11 -0.73 0.07 0.00 0.00 0.00 0.00 175.76 175.21 1rbs s GLU 64 N -4.03 2.65 0.17 0.00 2.02 -1.26 -0.89 118.70 117.36 1rbs s GLU 64 Ca 0.31 -1.47 0.05 0.00 0.02 0.00 0.00 54.97 53.89 1rbs s GLU 64 Cb 0.07 -3.85 -0.04 0.00 0.10 0.00 0.00 34.13 30.42 1rbs s GLU 64 CO 0.08 -0.99 0.11 0.08 0.02 0.00 0.00 175.26 174.57 1rbs s VAL 65 N 1.45 4.35 -0.12 2.63 1.01 0.18 -1.33 120.40 128.58 1rbs s VAL 65 Ca 0.03 -1.14 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 1rbs s VAL 65 Cb -0.23 -3.22 0.04 0.00 0.00 0.00 0.00 36.38 32.97 1rbs s VAL 65 CO 0.03 -0.11 0.01 -0.51 0.00 0.00 0.00 175.10 174.51 1rbs s ILE 66 N -1.75 0.50 -0.11 2.22 2.07 -0.92 -1.25 121.20 121.96 1rbs s ILE 66 Ca 0.30 -0.17 -0.00 0.00 -1.41 0.00 0.00 60.65 59.38 1rbs s ILE 66 Cb -0.10 -0.77 -0.02 0.00 0.13 0.00 0.00 42.46 41.70 1rbs s ILE 66 CO 0.23 0.10 -0.10 -0.22 -1.91 0.00 0.00 174.94 173.04 1rbs s LEU 67 N 1.90 2.95 -0.11 8.50 0.20 0.35 -1.90 118.68 130.57 1rbs s LEU 67 Ca 0.03 -0.18 0.02 0.00 0.69 0.00 0.00 54.13 54.68 1rbs s LEU 67 Cb -0.14 -1.66 0.01 0.00 -0.43 0.00 0.00 46.19 43.98 1rbs s LEU 67 CO -0.07 0.25 -0.17 -0.55 -0.29 0.00 0.00 176.35 175.52 1rbs s SER 68 N -0.13 2.60 -0.02 3.68 0.15 0.85 0.84 113.70 121.67 1rbs s SER 68 Ca 0.00 -0.47 -0.21 0.00 0.70 0.00 0.00 55.95 55.97 1rbs s SER 68 Cb -0.13 -1.18 0.04 0.00 -1.71 0.00 0.00 66.02 63.04 1rbs s SER 68 CO 0.03 0.04 0.46 0.28 1.20 0.00 0.00 173.24 175.25 1rbs s THR 69 N 0.90 0.04 -1.56 6.45 -1.32 -1.10 -2.03 115.64 117.01 1rbs s THR 69 Ca -0.08 -0.29 0.20 0.00 -1.21 0.00 0.00 61.69 60.31 1rbs s THR 69 Cb -0.15 -0.78 0.63 0.00 -1.51 0.00 0.00 72.50 70.69 1rbs s THR 69 CO -0.01 -0.16 1.54 -0.90 -2.21 0.00 0.00 174.62 172.88 1rbs n ASP 70 N 1.08 4.11 -4.67 8.08 5.75 -1.26 -1.78 116.55 127.86 1rbs n ASP 70 Ca -0.20 -2.16 -0.43 0.00 -0.01 0.00 0.00 54.79 51.99 1rbs n ASP 70 Cb 0.57 -0.49 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 1rbs n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1rbs s SER 71 N -0.99 6.99 0.14 -1.12 0.15 -1.26 -4.73 113.70 112.88 1rbs s SER 71 Ca 0.47 1.70 0.06 0.00 0.70 0.00 0.00 55.95 58.88 1rbs s SER 71 Cb 0.27 -2.54 -0.12 0.00 -1.71 0.00 0.00 66.02 61.92 1rbs s SER 71 CO 0.28 -0.70 1.32 -0.61 1.20 0.00 0.00 173.24 174.74 1rbs h GLN 72 N 7.91 0.05 -0.38 5.44 4.15 -1.96 -2.87 115.11 127.46 1rbs h GLN 72 Ca -0.28 -0.07 -0.15 0.00 0.77 0.00 0.00 58.65 58.92 1rbs h GLN 72 Cb 1.12 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 1rbs h GLN 72 CO 0.94 0.97 -0.34 -0.92 -1.93 0.00 0.00 178.83 177.55 1rbs h TYR 73 N 0.02 1.07 -0.61 3.99 3.20 -1.96 0.14 116.97 122.82 1rbs h TYR 73 Ca -0.03 -0.31 -0.06 0.00 3.14 0.00 0.00 58.73 61.47 1rbs h TYR 73 Cb 1.67 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.69 1rbs h TYR 73 CO 0.01 1.12 0.15 0.28 -1.64 0.00 0.00 178.16 178.08 1rbs h VAL 74 N 0.70 1.25 0.72 1.81 2.07 -1.93 0.62 116.25 121.50 1rbs h VAL 74 Ca 0.06 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 1rbs h VAL 74 Cb 0.93 0.68 0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1rbs h VAL 74 CO 0.09 0.34 -0.34 -0.09 0.02 0.00 0.00 177.57 177.58 1rbs h ARG 75 N 0.88 -0.93 -0.98 1.57 2.43 -1.37 0.21 114.38 116.20 1rbs h ARG 75 Ca 0.19 0.06 0.14 0.00 -0.81 0.00 0.00 59.98 59.56 1rbs h ARG 75 Cb 0.35 0.21 -0.09 0.00 -0.42 0.00 0.00 29.97 30.02 1rbs h ARG 75 CO 0.00 -0.59 0.60 1.96 -1.51 0.00 0.00 179.97 180.43 1rbs h GLN 76 N -1.12 0.88 0.12 0.20 4.20 -0.73 0.36 115.11 119.02 1rbs h GLN 76 Ca -0.10 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 1rbs h GLN 76 Cb 0.76 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1rbs h GLN 76 CO 0.16 0.58 -0.06 0.78 -0.67 0.00 0.00 178.83 179.62 1rbs h GLY 77 N 0.90 -0.17 1.04 3.46 0.00 -0.62 -2.65 103.07 105.03 1rbs h GLY 77 Ca 0.51 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.86 1rbs h GLY 77 CO -0.30 -0.06 0.33 -2.22 0.00 0.00 0.00 176.54 174.29 1rbs h ILE 78 N -0.59 1.26 0.03 2.60 1.08 0.07 -0.45 117.51 121.50 1rbs h ILE 78 Ca -0.02 -0.79 -0.31 0.00 -0.39 0.00 0.00 64.86 63.36 1rbs h ILE 78 Cb 0.46 0.30 -0.04 0.00 -3.07 0.00 0.00 36.82 34.47 1rbs h ILE 78 CO 0.03 0.33 -1.75 0.71 -0.69 0.00 0.00 178.15 176.77 1rbs h THR 79 N 1.14 0.82 0.00 -0.27 1.35 -0.39 -3.44 112.91 112.12 1rbs h THR 79 Ca 0.27 -2.64 0.00 0.00 -0.55 0.00 0.00 66.41 63.48 1rbs h THR 79 Cb 0.19 2.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1rbs h THR 79 CO -0.02 0.59 -0.35 0.00 -0.25 0.00 0.00 175.52 175.48 1rbs n GLN 80 N -3.15 3.73 -0.02 4.72 6.02 -1.01 -4.97 117.38 122.70 1rbs n GLN 80 Ca -0.20 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.76 1rbs n GLN 80 Cb 1.05 -0.63 -0.01 0.00 1.02 0.00 0.00 30.24 31.67 1rbs n GLN 80 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1rbs n TRP 81 N -1.00 0.00 -0.22 1.08 8.01 -1.13 -4.78 117.44 119.40 1rbs n TRP 81 Ca 0.00 0.00 0.02 0.00 -1.31 0.00 0.00 57.50 56.21 1rbs n TRP 81 Cb 0.00 -0.13 0.13 0.00 -2.01 0.00 0.00 31.31 29.29 1rbs n TRP 81 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 1rbs h ILE 82 N -0.10 0.50 -0.88 -0.99 2.10 -1.36 -0.48 117.51 116.31 1rbs h ILE 82 Ca -0.09 -0.06 0.06 0.00 1.08 0.00 0.00 64.86 65.85 1rbs h ILE 82 Cb 1.09 0.32 -0.06 0.00 -1.09 0.00 0.00 36.82 37.08 1rbs h ILE 82 CO -0.04 0.03 0.55 -0.74 -1.08 0.00 0.00 178.15 176.87 1rbs h HIS 83 N 0.17 1.02 -0.14 2.19 2.76 -1.87 -2.67 115.15 116.60 1rbs h HIS 83 Ca 0.35 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.41 1rbs h HIS 83 Cb 0.58 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 1rbs h HIS 83 CO -0.33 0.54 -0.52 -0.91 -1.30 0.00 0.00 177.93 175.41 1rbs h ASN 84 N 1.02 0.43 0.05 3.26 2.35 -1.43 -3.22 115.58 118.04 1rbs h ASN 84 Ca 0.37 -0.22 -0.17 0.00 -0.55 0.00 0.00 56.30 55.74 1rbs h ASN 84 Cb 0.13 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1rbs h ASN 84 CO -0.16 0.87 -0.59 -0.50 -1.65 0.00 0.00 177.43 175.40 1rbs h TRP 85 N 0.30 0.70 -0.21 1.19 6.55 -1.10 -2.75 115.95 120.63 1rbs h TRP 85 Ca 0.01 -0.26 -0.04 0.00 0.95 0.00 0.00 58.89 59.55 1rbs h TRP 85 Cb 1.01 -0.13 -0.01 0.00 -0.86 0.00 0.00 29.16 29.18 1rbs h TRP 85 CO 0.03 1.00 -0.04 0.87 -1.05 0.00 0.00 178.44 179.25 1rbs h LYS 86 N 0.41 0.40 -0.34 0.49 1.57 -1.50 0.74 116.57 118.35 1rbs h LYS 86 Ca -0.00 -0.15 0.10 0.00 -1.87 0.00 0.00 60.65 58.73 1rbs h LYS 86 Cb 1.14 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1rbs h LYS 86 CO 0.11 0.64 0.27 0.87 -0.57 0.00 0.00 179.45 180.77 1rbs h LYS 87 N 0.14 0.00 -0.55 3.15 1.79 -1.57 -2.21 116.57 117.32 1rbs h LYS 87 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1rbs h LYS 87 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1rbs h LYS 87 CO 0.02 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.93 1rbs n ARG 88 N -4.19 2.64 -3.21 3.15 1.74 -1.01 -4.96 116.66 110.82 1rbs n ARG 88 Ca 0.05 -2.40 -0.15 0.00 -0.77 0.00 0.00 57.85 54.57 1rbs n ARG 88 Cb 0.44 -1.48 0.07 0.00 -1.02 0.00 0.00 32.46 30.47 1rbs n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rbs n GLY 89 N 1.34 -0.21 3.91 -0.13 0.00 -0.80 -3.29 105.19 106.00 1rbs n GLY 89 Ca 0.20 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1rbs n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1rbs n TRP 90 N -3.80 -1.69 -4.19 1.61 7.02 0.25 -4.98 117.44 111.66 1rbs n TRP 90 Ca -0.16 0.75 -0.16 0.00 -1.02 0.00 0.00 57.50 56.91 1rbs n TRP 90 Cb 0.61 -3.83 -0.11 0.00 -2.42 0.00 0.00 31.31 25.55 1rbs n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1rbs s LYS 91 N -6.45 0.88 0.81 -0.99 1.02 -1.21 -2.81 119.74 111.00 1rbs s LYS 91 Ca 0.01 -1.13 -0.11 0.00 0.02 0.00 0.00 55.97 54.76 1rbs s LYS 91 Cb -0.01 -0.69 0.09 0.00 -0.52 0.00 0.00 37.83 36.70 1rbs s LYS 91 CO 0.88 0.13 1.17 0.95 -0.92 0.00 0.00 175.35 177.55 1rbs s THR 92 N -2.08 2.04 0.44 2.17 -4.23 0.12 -4.85 115.64 109.25 1rbs s THR 92 Ca 0.04 -0.04 0.13 0.00 -1.18 0.00 0.00 61.69 60.64 1rbs s THR 92 Cb -0.05 -3.00 0.20 0.00 1.34 0.00 0.00 72.50 70.99 1rbs s THR 92 CO 0.01 0.00 2.00 0.00 -0.54 0.00 0.00 174.62 176.10 1rbs h ALA 93 N -1.04 1.71 -0.23 3.99 0.00 -2.01 -1.85 119.26 119.84 1rbs h ALA 93 Ca -0.46 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1rbs h ALA 93 Cb 1.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1rbs h ALA 93 CO 0.63 0.22 0.00 -0.40 0.00 0.00 0.00 179.25 179.70 1rbs n ASP 94 N -4.36 2.07 -1.69 0.00 5.68 -1.26 -4.88 116.55 112.12 1rbs n ASP 94 Ca -0.02 -2.18 -0.16 0.00 -0.50 0.00 0.00 54.79 51.94 1rbs n ASP 94 Cb 0.21 -0.39 -0.02 0.00 -1.14 0.00 0.00 41.12 39.79 1rbs n ASP 94 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1rbs n LYS 95 N 0.24 -1.23 -4.17 0.11 4.76 -0.69 -5.02 118.16 112.15 1rbs n LYS 95 Ca 0.09 0.83 -0.23 0.00 -2.87 0.00 0.00 58.31 56.14 1rbs n LYS 95 Cb 0.42 -5.17 -0.05 0.00 -1.84 0.00 0.00 35.03 28.38 1rbs n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1rbs s LYS 96 N -4.49 2.74 0.37 1.97 1.02 -1.26 -4.83 119.74 115.26 1rbs s LYS 96 Ca 0.00 -1.15 -0.28 0.00 0.02 0.00 0.00 55.97 54.57 1rbs s LYS 96 Cb 0.00 -2.45 -0.10 0.00 -0.52 0.00 0.00 37.83 34.75 1rbs s LYS 96 CO 0.00 0.40 1.43 -2.14 -0.92 0.00 0.00 175.35 174.12 1rbs s PRO 97 N -3.74 4.12 0.77 -1.68 0.02 -1.26 0.14 135.00 133.37 1rbs s PRO 97 Ca 0.32 2.46 -0.14 0.00 0.02 0.00 0.00 61.00 63.66 1rbs s PRO 97 Cb -0.08 -2.95 0.06 0.00 0.02 0.00 0.00 34.50 31.56 1rbs s PRO 97 CO 0.23 -0.48 1.18 0.14 -0.33 0.00 0.00 177.00 177.74 1rbs s VAL 98 N -1.14 2.37 0.20 3.83 -7.23 -1.12 -4.75 120.40 112.55 1rbs s VAL 98 Ca 0.53 0.16 -0.30 0.00 -1.81 0.00 0.00 61.98 60.56 1rbs s VAL 98 Cb -0.44 -2.60 -0.08 0.00 0.56 0.00 0.00 36.38 33.82 1rbs s VAL 98 CO 0.59 -0.12 1.13 -0.75 -0.31 0.00 0.00 175.10 175.65 1rbs s LYS 99 N -4.16 4.56 -1.47 4.82 2.20 -1.26 -2.85 119.74 121.58 1rbs s LYS 99 Ca 0.71 1.79 -0.01 0.00 -0.36 0.00 0.00 55.97 58.10 1rbs s LYS 99 Cb -0.26 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 1rbs s LYS 99 CO 0.49 0.04 0.08 0.09 -0.36 0.00 0.00 175.35 175.68 1rbs n ASN 100 N 2.23 -5.16 0.17 1.43 3.02 -1.26 -4.87 115.26 110.82 1rbs n ASN 100 Ca 0.03 -0.05 0.13 0.00 -0.03 0.00 0.00 54.58 54.66 1rbs n ASN 100 Cb 0.45 -4.21 0.68 0.00 -0.61 0.00 0.00 39.78 36.10 1rbs n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1rbs h VAL 101 N -0.18 0.85 -0.50 2.41 3.04 -1.90 0.14 116.25 120.11 1rbs h VAL 101 Ca -0.42 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.22 1rbs h VAL 101 Cb 1.31 0.89 -0.02 0.00 -2.01 0.00 0.00 31.29 31.46 1rbs h VAL 101 CO 0.49 0.00 0.09 -2.24 -1.01 0.00 0.00 177.57 174.90 1rbs h ASP 102 N 0.00 0.73 0.13 3.17 2.03 -1.89 -1.48 116.42 119.11 1rbs h ASP 102 Ca 0.09 -0.14 -0.27 0.00 -0.73 0.00 0.00 57.03 55.98 1rbs h ASP 102 Cb 0.39 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 1rbs h ASP 102 CO -0.00 0.75 -1.37 -0.07 -1.03 0.00 0.00 179.24 177.52 1rbs h LEU 103 N 0.75 0.42 -1.16 0.15 3.38 -1.18 -3.19 115.31 114.48 1rbs h LEU 103 Ca 0.16 -0.87 0.02 0.00 0.09 0.00 0.00 57.88 57.28 1rbs h LEU 103 Cb 0.33 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1rbs h LEU 103 CO 0.00 1.61 0.57 -0.50 0.09 0.00 0.00 178.44 180.21 1rbs h TRP 104 N -0.27 1.07 -0.10 1.13 -0.00 -1.13 0.82 115.95 117.47 1rbs h TRP 104 Ca -0.29 0.03 -0.13 0.00 -0.00 0.00 0.00 58.89 58.50 1rbs h TRP 104 Cb 1.78 -0.36 -0.01 0.00 -0.00 0.00 0.00 29.16 30.56 1rbs h TRP 104 CO 0.13 0.66 -0.51 1.96 -0.00 0.00 0.00 178.44 180.68 1rbs h GLN 105 N 1.14 0.26 -0.13 0.49 4.20 -1.41 -0.90 115.11 118.77 1rbs h GLN 105 Ca 0.33 -0.15 -0.17 0.00 0.06 0.00 0.00 58.65 58.72 1rbs h GLN 105 Cb -0.08 0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.72 1rbs h GLN 105 CO -0.08 0.72 -0.58 -0.09 -0.67 0.00 0.00 178.83 178.12 1rbs h ARG 106 N 0.21 0.61 -0.19 1.46 2.43 -1.46 -2.60 114.38 114.84 1rbs h ARG 106 Ca 0.01 -0.49 -0.18 0.00 -0.81 0.00 0.00 59.98 58.51 1rbs h ARG 106 Cb 0.98 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1rbs h ARG 106 CO 0.08 1.11 -0.60 1.25 -1.51 0.00 0.00 179.97 180.30 1rbs h LEU 107 N 0.26 0.73 -0.48 3.80 5.85 -0.80 -3.04 115.31 121.63 1rbs h LEU 107 Ca -0.04 -0.41 0.08 0.00 0.84 0.00 0.00 57.88 58.35 1rbs h LEU 107 Cb 1.22 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.97 1rbs h LEU 107 CO 0.12 1.16 0.10 -0.78 -0.34 0.00 0.00 178.44 178.70 1rbs h ASP 108 N 0.48 0.02 -0.47 1.25 3.58 -1.14 -2.35 116.42 117.79 1rbs h ASP 108 Ca -0.00 0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.54 1rbs h ASP 108 Cb 1.18 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 42.31 1rbs h ASP 108 CO 0.12 0.04 0.29 0.00 -2.88 0.00 0.00 179.24 176.81 1rbs h ALA 109 N 1.37 0.60 0.00 -0.78 0.00 -1.47 -2.77 119.26 116.20 1rbs h ALA 109 Ca 0.24 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1rbs h ALA 109 Cb 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1rbs h ALA 109 CO -0.31 0.00 -0.23 0.00 0.00 0.00 0.00 179.25 178.71 1rbs h ALA 110 N 1.19 1.55 0.00 0.00 0.00 -1.35 -2.88 119.26 117.77 1rbs h ALA 110 Ca 0.18 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1rbs h ALA 110 Cb -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1rbs h ALA 110 CO -0.07 0.29 -0.82 -0.07 0.00 0.00 0.00 179.25 178.59 1rbs h LEU 111 N 0.00 0.00 -2.08 0.00 3.38 -1.35 -3.36 115.31 111.90 1rbs h LEU 111 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1rbs h LEU 111 Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1rbs h LEU 111 CO 0.03 0.14 0.12 1.23 0.09 0.00 0.00 178.44 180.05 1rbs h GLY 112 N 3.91 0.00 1.23 0.83 0.00 -1.26 -2.07 103.07 105.71 1rbs h GLY 112 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1rbs h GLY 112 CO 0.01 0.00 -0.45 -1.06 0.00 0.00 0.00 176.54 175.04 1rbs n GLN 113 N -4.34 0.10 -4.35 4.80 1.13 -1.26 -4.99 117.38 108.47 1rbs n GLN 113 Ca 0.01 0.03 -0.18 0.00 -1.94 0.00 0.00 57.00 54.92 1rbs n GLN 113 Cb 0.24 -1.56 -0.10 0.00 0.11 0.00 0.00 30.24 28.92 1rbs n GLN 113 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1rbs s HIS 114 N -3.05 1.64 -0.31 1.08 3.76 -0.78 -4.16 115.29 113.47 1rbs s HIS 114 Ca 0.10 -0.82 -0.17 0.00 -0.15 0.00 0.00 55.06 54.02 1rbs s HIS 114 Cb 0.16 -0.92 -0.02 0.00 1.11 0.00 0.00 32.58 32.91 1rbs s HIS 114 CO 0.68 0.09 0.46 -0.65 -0.85 0.00 0.00 174.74 174.47 1rbs s GLN 115 N -3.80 3.80 -0.08 1.40 -0.21 -0.07 -4.97 119.66 115.73 1rbs s GLN 115 Ca 0.27 -0.04 0.03 0.00 0.02 0.00 0.00 55.36 55.64 1rbs s GLN 115 Cb 0.04 -3.74 0.01 0.00 1.00 0.00 0.00 33.01 30.32 1rbs s GLN 115 CO 0.08 -0.48 -0.18 0.42 -2.12 0.00 0.00 175.29 173.01 1rbs s ILE 116 N 2.25 1.58 -0.22 1.08 1.01 -1.26 0.51 121.20 126.15 1rbs s ILE 116 Ca 0.17 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 1rbs s ILE 116 Cb -0.16 -1.39 0.02 0.00 0.01 0.00 0.00 42.46 40.94 1rbs s ILE 116 CO 0.11 0.45 -0.11 -0.75 0.00 0.00 0.00 174.94 174.65 1rbs s LYS 117 N 0.47 2.94 -0.15 2.79 2.20 -0.38 -5.00 119.74 122.62 1rbs s LYS 117 Ca -0.16 -0.89 -0.17 0.00 -0.36 0.00 0.00 55.97 54.39 1rbs s LYS 117 Cb -0.17 -2.84 -0.04 0.00 -1.51 0.00 0.00 37.83 33.28 1rbs s LYS 117 CO 0.06 -0.31 0.46 -1.58 -0.36 0.00 0.00 175.35 173.62 1rbs s TRP 118 N 1.32 3.46 -0.33 4.03 0.52 -1.26 -0.50 118.94 126.19 1rbs s TRP 118 Ca 0.02 0.80 0.03 0.00 0.02 0.00 0.00 56.10 56.98 1rbs s TRP 118 Cb -0.15 -2.55 0.10 0.00 -1.15 0.00 0.00 33.47 29.71 1rbs s TRP 118 CO -0.07 0.10 0.04 -2.00 0.02 0.00 0.00 176.95 175.04 1rbs s GLU 119 N 0.89 1.43 -0.71 4.98 2.12 0.25 -4.92 118.70 122.73 1rbs s GLU 119 Ca 0.24 -1.69 -0.27 0.00 0.36 0.00 0.00 54.97 53.60 1rbs s GLU 119 Cb -0.15 -2.98 0.03 0.00 0.26 0.00 0.00 34.13 31.29 1rbs s GLU 119 CO 0.09 -0.91 1.28 -1.58 -0.54 0.00 0.00 175.26 173.60 1rbs s TRP 120 N 1.04 2.32 0.55 5.30 0.23 -1.26 -2.71 118.94 124.42 1rbs s TRP 120 Ca 0.09 0.04 -0.06 0.00 -2.03 0.00 0.00 56.10 54.14 1rbs s TRP 120 Cb -0.19 -4.60 -0.01 0.00 0.03 0.00 0.00 33.47 28.70 1rbs s TRP 120 CO -0.10 -2.00 0.86 0.14 0.96 0.00 0.00 176.95 176.81 1rbs s VAL 121 N 5.66 4.10 -0.14 4.03 -7.23 -0.74 -4.98 120.40 121.11 1rbs s VAL 121 Ca 0.37 0.08 -0.11 0.00 -1.81 0.00 0.00 61.98 60.52 1rbs s VAL 121 Cb -0.08 -3.60 -0.05 0.00 0.56 0.00 0.00 36.38 33.21 1rbs s VAL 121 CO 0.17 -0.61 0.21 -0.54 -0.31 0.00 0.00 175.10 174.02 1rbs s LYS 122 N -4.91 3.93 0.33 4.82 -0.14 -1.26 -4.18 119.74 118.34 1rbs s LYS 122 Ca 0.52 -0.03 0.13 0.00 -1.36 0.00 0.00 55.97 55.22 1rbs s LYS 122 Cb -0.10 -3.32 1.02 0.00 -1.68 0.00 0.00 37.83 33.74 1rbs s LYS 122 CO 0.45 0.49 1.67 0.78 -0.76 0.00 0.00 175.35 177.98 1rbs h GLY 123 N 5.89 1.99 0.01 -3.33 0.00 -1.97 0.30 103.07 105.96 1rbs h GLY 123 Ca -0.47 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.62 1rbs h GLY 123 CO 0.68 -0.43 0.00 -2.39 0.00 0.00 0.00 176.54 174.40 1rbs n HIS 124 N -5.03 0.06 -2.76 5.60 1.44 -1.26 -4.24 115.22 109.02 1rbs n HIS 124 Ca 0.30 -0.03 -0.00 0.00 -2.01 0.00 0.00 57.72 55.98 1rbs n HIS 124 Cb 0.91 0.00 0.06 0.00 0.12 0.00 0.00 29.99 31.08 1rbs n HIS 124 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rbs n ALA 125 N -0.27 2.63 -1.99 1.59 0.00 0.11 -5.11 120.51 117.45 1rbs n ALA 125 Ca 0.18 -2.42 -0.18 0.00 0.00 0.00 0.00 53.44 51.02 1rbs n ALA 125 Cb 0.22 -0.85 0.15 0.00 0.00 0.00 0.00 19.45 18.98 1rbs n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rbs n GLY 126 N -0.61 -0.84 3.92 0.00 0.00 -1.10 -4.61 105.19 101.95 1rbs n GLY 126 Ca 0.03 -1.79 -0.27 0.00 0.00 0.00 0.00 46.02 43.99 1rbs n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rbs s HIS 127 N -3.18 3.20 0.56 1.61 3.76 -1.26 -4.92 115.29 115.07 1rbs s HIS 127 Ca 0.61 0.62 0.34 0.00 -0.15 0.00 0.00 55.06 56.48 1rbs s HIS 127 Cb -0.02 -2.81 1.48 0.00 1.11 0.00 0.00 32.58 32.34 1rbs s HIS 127 CO 0.42 -0.92 1.77 -1.35 -0.85 0.00 0.00 174.74 173.82 1rbs h PRO 128 N -0.24 0.00 -0.07 8.40 0.11 -2.01 0.24 132.00 138.42 1rbs h PRO 128 Ca -0.45 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.46 1rbs h PRO 128 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 1rbs h PRO 128 CO 0.61 0.00 -0.79 0.93 -0.21 0.00 0.00 178.00 178.54 1rbs h GLU 129 N 0.00 0.48 -0.70 1.05 3.07 -2.00 -2.92 114.58 113.56 1rbs h GLU 129 Ca 0.49 -0.41 -0.06 0.00 -0.50 0.00 0.00 59.36 58.88 1rbs h GLU 129 Cb 2.13 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 30.10 1rbs h GLU 129 CO -0.01 1.05 0.22 -0.91 -1.40 0.00 0.00 179.01 177.97 1rbs h ASN 130 N 0.31 1.01 -0.86 1.42 4.21 -1.30 -2.26 115.58 118.12 1rbs h ASN 130 Ca -0.05 -0.21 -0.00 0.00 1.21 0.00 0.00 56.30 57.26 1rbs h ASN 130 Cb 1.38 -0.27 -0.04 0.00 -1.12 0.00 0.00 38.32 38.28 1rbs h ASN 130 CO 0.14 0.95 0.53 -0.33 -1.29 0.00 0.00 177.43 177.43 1rbs h GLU 131 N 1.02 1.16 -0.42 0.81 5.08 -1.51 -1.86 114.58 118.85 1rbs h GLU 131 Ca 0.22 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1rbs h GLU 131 Cb 0.30 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1rbs h GLU 131 CO -0.01 0.80 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.62 1rbs h ARG 132 N 1.18 0.73 -0.66 2.33 2.43 -1.34 -2.00 114.38 117.06 1rbs h ARG 132 Ca 0.31 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1rbs h ARG 132 Cb -0.07 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 1rbs h ARG 132 CO -0.06 0.80 0.38 0.00 -1.51 0.00 0.00 179.97 179.59 1rbs h ASP 134 N 0.89 0.04 -0.63 0.00 3.58 -1.08 0.56 116.42 119.78 1rbs h ASP 134 Ca 0.23 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.65 1rbs h ASP 134 Cb -0.00 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 1rbs h ASP 134 CO -0.04 0.03 0.23 -0.08 -2.88 0.00 0.00 179.24 176.50 1rbs h GLU 135 N 0.06 0.95 -0.12 0.28 4.81 -1.21 0.02 114.58 119.38 1rbs h GLU 135 Ca 0.02 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1rbs h GLU 135 Cb 0.00 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 1rbs h GLU 135 CO -0.02 0.82 0.02 -0.07 -0.73 0.00 0.00 179.01 179.03 1rbs h LEU 136 N 0.89 0.18 -0.40 1.64 3.38 -0.76 -2.44 115.31 117.79 1rbs h LEU 136 Ca 0.21 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.99 1rbs h LEU 136 Cb 0.24 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1rbs h LEU 136 CO -0.01 0.38 0.10 0.00 0.09 0.00 0.00 178.44 179.00 1rbs h ALA 137 N 0.81 0.44 -0.28 1.53 0.00 -0.73 -1.04 119.26 119.99 1rbs h ALA 137 Ca 0.04 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1rbs h ALA 137 Cb 0.28 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1rbs h ALA 137 CO 0.00 -0.30 0.13 0.00 0.00 0.00 0.00 179.25 179.08 1rbs h ARG 138 N 0.23 0.42 -0.81 0.00 3.08 -0.96 -2.75 114.38 113.58 1rbs h ARG 138 Ca 0.19 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 1rbs h ARG 138 Cb 0.21 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 1rbs h ARG 138 CO -0.23 0.41 0.42 0.00 -1.07 0.00 0.00 179.97 179.50 1rbs h ALA 139 N 0.98 1.05 -0.54 0.04 0.00 -1.22 -3.10 119.26 116.46 1rbs h ALA 139 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1rbs h ALA 139 Cb 0.14 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1rbs h ALA 139 CO -0.01 0.58 0.31 0.00 0.00 0.00 0.00 179.25 180.13 1rbs h ALA 140 N 1.22 0.70 0.00 0.00 0.00 -1.06 -2.56 119.26 117.56 1rbs h ALA 140 Ca 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1rbs h ALA 140 Cb 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1rbs h ALA 140 CO -0.04 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1rbs h ALA 141 N 1.14 1.00 0.00 0.00 0.00 -1.42 -1.60 119.26 118.38 1rbs h ALA 141 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1rbs h ALA 141 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1rbs h ALA 141 CO -0.03 0.00 -0.39 0.52 0.00 0.00 0.00 179.25 179.34 1rbs h MET 142 N 0.00 0.00 -1.68 0.00 2.86 -1.42 -3.39 114.93 111.30 1rbs h MET 142 Ca 0.00 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 57.16 1rbs h MET 142 Cb 0.27 0.00 -0.33 0.00 0.06 0.00 0.00 31.60 31.61 1rbs h MET 142 CO 0.00 0.00 -0.92 -1.71 1.06 0.00 0.00 176.91 175.34 1rbs n ASN 143 N -2.27 -0.82 -4.73 1.22 4.05 -0.61 -5.12 115.26 106.97 1rbs n ASN 143 Ca 0.04 -2.73 -0.41 0.00 0.45 0.00 0.00 54.58 51.93 1rbs n ASN 143 Cb 0.45 -0.01 -0.05 0.00 1.23 0.00 0.00 39.78 41.41 1rbs n ASN 143 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1rbs s PRO 144 N -0.38 4.70 0.00 1.20 0.04 -1.14 -4.49 135.00 134.93 1rbs s PRO 144 Ca 0.34 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1rbs s PRO 144 Cb 0.13 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1rbs s PRO 144 CO -0.15 0.22 0.00 0.25 0.04 0.00 0.00 177.00 177.36 1rbs n THR 145 N 2.52 0.00 -4.19 1.26 -2.24 -0.87 -4.78 114.28 105.98 1rbs n THR 145 Ca 0.02 -0.36 -0.23 0.00 -2.27 0.00 0.00 64.05 61.20 1rbs n THR 145 Cb 0.48 0.97 -0.07 0.00 -2.10 0.00 0.00 70.33 69.62 1rbs n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1rbs s LEU 146 N -1.56 3.21 -0.14 3.22 1.43 -0.69 -4.98 118.68 119.18 1rbs s LEU 146 Ca 0.00 -0.75 -0.04 0.00 -1.03 0.00 0.00 54.13 52.31 1rbs s LEU 146 Cb 0.00 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 1rbs s LEU 146 CO 0.00 -0.19 -0.01 -0.70 0.23 0.00 0.00 176.35 175.68 1rbs s GLU 147 N -3.77 3.55 -0.65 1.70 2.12 -1.26 -1.28 118.70 119.10 1rbs s GLU 147 Ca 0.35 -0.46 -0.21 0.00 0.36 0.00 0.00 54.97 55.01 1rbs s GLU 147 Cb -0.03 -2.93 0.09 0.00 0.26 0.00 0.00 34.13 31.51 1rbs s GLU 147 CO 0.21 0.37 0.89 0.34 -0.54 0.00 0.00 175.26 176.53 1rbs s ASP 148 N 0.04 6.20 0.11 -1.70 -1.08 -1.26 -4.93 116.67 114.05 1rbs s ASP 148 Ca 0.02 -1.20 -0.18 0.00 -0.52 0.00 0.00 52.55 50.67 1rbs s ASP 148 Cb -0.13 -2.38 -0.05 0.00 -1.46 0.00 0.00 42.92 38.90 1rbs s ASP 148 CO 0.02 -1.31 1.61 0.74 0.52 0.00 0.00 175.17 176.75 1rbs h THR 149 N 5.95 1.21 0.00 1.71 2.02 -1.97 -3.11 112.91 118.72 1rbs h THR 149 Ca -0.27 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1rbs h THR 149 Cb 1.07 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 1rbs h THR 149 CO 1.15 0.23 0.00 0.61 0.37 0.00 0.00 175.52 177.88 1rbs n GLY 150 N -0.59 -0.91 3.76 2.16 0.00 -1.26 -4.86 105.19 103.48 1rbs n GLY 150 Ca -0.02 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1rbs n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rbs s TYR 151 N -2.00 3.57 -0.09 1.61 5.04 -1.18 -4.97 117.35 119.34 1rbs s TYR 151 Ca 0.16 1.68 -0.09 0.00 -2.44 0.00 0.00 57.07 56.39 1rbs s TYR 151 Cb 0.08 -3.29 0.02 0.00 0.35 0.00 0.00 41.96 39.12 1rbs s TYR 151 CO 0.13 -0.59 0.26 -0.65 -1.34 0.00 0.00 175.55 173.36 1rbs s GLN 152 N -1.37 0.33 0.39 4.97 -0.21 -1.26 -5.04 119.66 117.48 1rbs s GLN 152 Ca 0.45 0.29 0.18 0.00 0.02 0.00 0.00 55.36 56.30 1rbs s GLN 152 Cb -0.32 0.16 0.80 0.00 1.00 0.00 0.00 33.01 34.65 1rbs s GLN 152 CO 0.41 -0.05 1.80 0.28 -2.12 0.00 0.00 175.29 175.61 1rbs h VAL 153 N 4.66 0.96 0.00 1.09 2.07 -2.04 -3.43 116.25 119.57 1rbs h VAL 153 Ca -0.26 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1rbs h VAL 153 Cb 1.19 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1rbs h VAL 153 CO 0.35 0.34 0.00 -0.62 0.02 0.00 0.00 177.57 177.66 1rbs n GLU 154 N -3.71 2.04 0.00 1.57 4.71 -1.26 -5.19 120.64 118.80 1rbs n GLU 154 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1rbs n GLU 154 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.88 1rbs n GLU 154 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50