#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rbu s LEU 2 N 0.00 4.02 0.00 -0.89 1.43 -1.26 -4.92 118.68 117.05 1rbu s LEU 2 Ca 0.00 2.78 0.26 0.00 -1.03 0.00 0.00 54.13 56.14 1rbu s LEU 2 Cb 0.00 -4.09 0.68 0.00 0.03 0.00 0.00 46.19 42.82 1rbu s LEU 2 CO 0.00 -1.27 1.52 0.29 0.23 0.00 0.00 176.35 177.12 1rbu n LYS 3 N -0.50 1.10 -4.26 1.70 4.76 -1.26 -4.86 118.16 114.85 1rbu n LYS 3 Ca 0.07 -0.71 -0.18 0.00 -2.87 0.00 0.00 58.31 54.63 1rbu n LYS 3 Cb 0.44 -1.49 -0.13 0.00 -1.84 0.00 0.00 35.03 32.01 1rbu n LYS 3 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1rbu s GLN 4 N -2.39 0.73 0.00 1.97 0.74 -1.26 -4.90 119.66 114.55 1rbu s GLN 4 Ca 0.26 -0.61 -0.30 0.00 0.05 0.00 0.00 55.36 54.76 1rbu s GLN 4 Cb 0.19 -0.67 -0.03 0.00 1.10 0.00 0.00 33.01 33.60 1rbu s GLN 4 CO 0.48 0.17 0.98 0.08 -0.55 0.00 0.00 175.29 176.45 1rbu s VAL 5 N -0.77 4.86 -0.14 1.34 1.01 0.35 -4.96 120.40 122.09 1rbu s VAL 5 Ca -0.01 2.06 -0.01 0.00 0.00 0.00 0.00 61.98 64.02 1rbu s VAL 5 Cb -0.07 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 1rbu s VAL 5 CO 0.01 0.17 -0.10 -1.61 0.00 0.00 0.00 175.10 173.56 1rbu s GLU 6 N 0.97 3.47 -0.03 2.72 2.02 -1.10 -0.11 118.70 126.63 1rbu s GLU 6 Ca 0.52 -0.63 0.04 0.00 0.02 0.00 0.00 54.97 54.92 1rbu s GLU 6 Cb -0.21 -2.74 -0.00 0.00 0.10 0.00 0.00 34.13 31.28 1rbu s GLU 6 CO 0.28 0.20 -0.16 0.42 0.02 0.00 0.00 175.26 176.02 1rbu s ILE 7 N 0.41 1.29 -0.03 -1.63 1.01 -0.54 -0.07 121.20 121.64 1rbu s ILE 7 Ca -0.08 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 59.95 1rbu s ILE 7 Cb -0.15 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.22 1rbu s ILE 7 CO 0.04 0.37 -0.10 -0.36 0.00 0.00 0.00 174.94 174.89 1rbu s PHE 8 N -0.05 1.07 0.02 3.97 0.40 -0.10 0.69 117.98 123.99 1rbu s PHE 8 Ca -0.01 -0.28 -0.02 0.00 -0.60 0.00 0.00 56.93 56.02 1rbu s PHE 8 Cb -0.10 -0.75 -0.02 0.00 0.51 0.00 0.00 43.02 42.66 1rbu s PHE 8 CO 0.01 -0.11 0.02 0.95 0.70 0.00 0.00 175.22 176.79 1rbu s THR 9 N 0.18 0.12 0.10 0.64 -4.23 -1.01 -0.63 115.64 110.81 1rbu s THR 9 Ca -0.03 -0.99 -0.18 0.00 -1.18 0.00 0.00 61.69 59.31 1rbu s THR 9 Cb -0.09 -0.51 0.04 0.00 1.34 0.00 0.00 72.50 73.28 1rbu s THR 9 CO 0.01 -0.54 0.44 -0.62 -0.54 0.00 0.00 174.62 173.37 1rbu s ASP 10 N -1.69 -0.31 0.01 3.99 -1.08 -0.61 -4.48 116.67 112.50 1rbu s ASP 10 Ca -0.12 -0.14 -0.06 0.00 -0.52 0.00 0.00 52.55 51.71 1rbu s ASP 10 Cb -0.06 0.48 -0.00 0.00 -1.46 0.00 0.00 42.92 41.87 1rbu s ASP 10 CO -0.02 -0.80 0.11 -0.83 0.52 0.00 0.00 175.17 174.15 1rbu s GLY 11 N -2.50 0.09 0.05 2.66 0.00 -1.26 -1.71 107.32 104.64 1rbu s GLY 11 Ca -0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 44.72 44.38 1rbu s GLY 11 CO -0.09 -0.37 0.21 -0.45 0.00 0.00 0.00 173.10 172.40 1rbu s SER 12 N -1.48 0.03 -0.22 1.64 0.15 0.66 -4.76 113.70 109.71 1rbu s SER 12 Ca -0.14 -0.41 -0.17 0.00 0.70 0.00 0.00 55.95 55.93 1rbu s SER 12 Cb -0.07 0.31 0.06 0.00 -1.71 0.00 0.00 66.02 64.61 1rbu s SER 12 CO 0.01 -0.60 0.56 0.00 1.20 0.00 0.00 173.24 174.40 1rbu h LEU 14 N 5.87 0.00 0.00 0.00 3.38 -1.56 -3.47 115.31 119.53 1rbu h LEU 14 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1rbu h LEU 14 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1rbu h LEU 14 CO 0.18 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.47 1rbu n GLY 15 N 1.18 3.76 2.56 0.83 0.00 -1.26 -4.95 105.19 107.31 1rbu n GLY 15 Ca 0.01 -1.38 -0.17 0.00 0.00 0.00 0.00 46.02 44.49 1rbu n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rbu s ASN 16 N -0.22 0.20 0.61 1.61 2.47 -1.26 -3.41 114.94 114.93 1rbu s ASN 16 Ca 0.00 -2.45 -0.08 0.00 0.42 0.00 0.00 52.86 50.75 1rbu s ASN 16 Cb 0.00 0.58 0.00 0.00 -1.45 0.00 0.00 41.25 40.38 1rbu s ASN 16 CO 0.00 -0.12 0.95 -2.16 -3.72 0.00 0.00 177.10 172.05 1rbu s PRO 17 N 0.46 3.03 0.32 0.43 0.04 -1.26 -5.12 135.00 132.90 1rbu s PRO 17 Ca 0.31 0.21 -0.18 0.00 0.04 0.00 0.00 61.00 61.39 1rbu s PRO 17 Cb 0.01 -2.20 0.06 0.00 0.04 0.00 0.00 34.50 32.42 1rbu s PRO 17 CO -0.13 -0.73 0.88 0.20 0.04 0.00 0.00 177.00 177.27 1rbu s GLY 18 N -4.29 0.31 0.24 0.56 0.00 0.70 -4.84 107.32 100.00 1rbu s GLY 18 Ca 0.54 -0.64 -0.30 0.00 0.00 0.00 0.00 44.72 44.32 1rbu s GLY 18 CO 0.48 0.72 1.48 -4.14 0.00 0.00 0.00 173.10 171.64 1rbu s PRO 19 N -2.15 4.24 0.28 2.90 0.02 -1.17 0.11 135.00 139.23 1rbu s PRO 19 Ca 0.18 2.35 -0.07 0.00 0.02 0.00 0.00 61.00 63.48 1rbu s PRO 19 Cb -0.04 -3.11 -0.00 0.00 0.02 0.00 0.00 34.50 31.37 1rbu s PRO 19 CO 0.10 -0.48 0.44 0.20 -0.33 0.00 0.00 177.00 176.92 1rbu s GLY 20 N 0.52 1.02 0.31 0.52 0.00 0.12 -1.51 107.32 108.28 1rbu s GLY 20 Ca 0.62 -1.23 -0.19 0.00 0.00 0.00 0.00 44.72 43.92 1rbu s GLY 20 CO 0.42 -0.86 0.79 -0.32 0.00 0.00 0.00 173.10 173.13 1rbu s GLY 21 N -3.12 0.12 0.13 0.20 0.00 -0.19 0.14 107.32 104.60 1rbu s GLY 21 Ca 0.28 -0.48 0.02 0.00 0.00 0.00 0.00 44.72 44.54 1rbu s GLY 21 CO 0.14 -0.00 -0.04 -2.52 0.00 0.00 0.00 173.10 170.68 1rbu s TYR 22 N -3.02 1.05 -0.01 1.90 -0.85 -1.05 -0.25 117.35 115.12 1rbu s TYR 22 Ca 0.14 -0.96 0.00 0.00 -0.52 0.00 0.00 57.07 55.73 1rbu s TYR 22 Cb -0.05 -0.60 0.02 0.00 0.38 0.00 0.00 41.96 41.71 1rbu s TYR 22 CO 0.08 -0.17 0.01 0.20 -1.52 0.00 0.00 175.55 174.16 1rbu s GLY 23 N -3.11 0.07 -0.02 5.49 0.00 -0.69 -3.34 107.32 105.72 1rbu s GLY 23 Ca 0.18 0.16 -0.03 0.00 0.00 0.00 0.00 44.72 45.03 1rbu s GLY 23 CO -0.01 0.39 0.08 0.00 0.00 0.00 0.00 173.10 173.56 1rbu s ALA 24 N 0.60 -0.19 -0.09 3.20 0.00 -0.37 -1.57 121.76 123.34 1rbu s ALA 24 Ca -0.05 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.02 1rbu s ALA 24 Cb -0.07 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1rbu s ALA 24 CO -0.02 -0.08 -0.17 0.42 0.00 0.00 0.00 175.76 175.92 1rbu s ILE 25 N -0.35 1.54 -0.11 0.00 1.01 0.19 -1.09 121.20 122.40 1rbu s ILE 25 Ca -0.04 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.93 1rbu s ILE 25 Cb -0.03 -1.38 0.02 0.00 0.01 0.00 0.00 42.46 41.08 1rbu s ILE 25 CO 0.00 0.45 -0.15 -0.22 0.00 0.00 0.00 174.94 175.02 1rbu s LEU 26 N 0.72 1.71 -0.47 2.97 2.96 0.46 -0.93 118.68 126.11 1rbu s LEU 26 Ca -0.12 -0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 53.26 1rbu s LEU 26 Cb -0.16 -1.09 0.11 0.00 0.50 0.00 0.00 46.19 45.55 1rbu s LEU 26 CO 0.03 0.01 0.35 -0.13 -1.32 0.00 0.00 176.35 175.28 1rbu s ARG 27 N 1.04 2.62 0.00 1.98 0.52 0.90 0.45 118.95 126.46 1rbu s ARG 27 Ca -0.06 -1.64 -0.01 0.00 -0.52 0.00 0.00 55.73 53.51 1rbu s ARG 27 Cb -0.15 -3.95 -0.00 0.00 0.52 0.00 0.00 34.95 31.37 1rbu s ARG 27 CO -0.02 -1.13 0.01 -0.47 0.02 0.00 0.00 175.30 173.70 1rbu s TYR 28 N 1.43 0.06 0.00 -0.53 5.04 -0.16 -2.73 117.35 120.46 1rbu s TYR 28 Ca 0.04 -0.11 0.00 0.00 -2.44 0.00 0.00 57.07 54.57 1rbu s TYR 28 Cb -0.26 -0.05 0.00 0.00 0.35 0.00 0.00 41.96 42.01 1rbu s TYR 28 CO 0.01 -0.06 0.00 0.54 -1.34 0.00 0.00 175.55 174.70 1rbu n ARG 29 N 2.66 0.00 -0.22 4.97 5.12 -1.26 -1.49 116.66 126.44 1rbu n ARG 29 Ca -0.15 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.83 1rbu n ARG 29 Cb 0.59 0.00 0.16 0.00 -1.16 0.00 0.00 32.46 32.05 1rbu n ARG 29 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rbu n GLY 30 N 0.00 3.25 3.75 -0.13 0.00 -1.26 -4.79 105.19 106.02 1rbu n GLY 30 Ca 0.00 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 1rbu n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rbu s ARG 31 N -1.59 2.29 -0.31 1.61 0.52 -0.56 -5.11 118.95 115.80 1rbu s ARG 31 Ca 0.26 -1.73 0.01 0.00 -0.52 0.00 0.00 55.73 53.74 1rbu s ARG 31 Cb 0.17 -2.07 0.07 0.00 0.52 0.00 0.00 34.95 33.64 1rbu s ARG 31 CO 0.11 -0.06 -0.00 -2.00 0.02 0.00 0.00 175.30 173.37 1rbu s GLU 32 N -3.91 2.17 -0.12 3.54 2.12 -1.26 -0.99 118.70 120.25 1rbu s GLU 32 Ca 0.41 -1.45 -0.06 0.00 0.36 0.00 0.00 54.97 54.22 1rbu s GLU 32 Cb 0.01 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 1rbu s GLU 32 CO 0.23 -0.71 0.10 0.15 -0.54 0.00 0.00 175.26 174.50 1rbu s LYS 33 N 1.13 3.39 -0.12 4.30 1.02 0.17 -4.95 119.74 124.69 1rbu s LYS 33 Ca -0.02 -0.21 0.03 0.00 0.02 0.00 0.00 55.97 55.79 1rbu s LYS 33 Cb -0.20 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1rbu s LYS 33 CO -0.04 0.72 -0.22 0.99 -0.92 0.00 0.00 175.35 175.88 1rbu s THR 34 N -0.88 2.14 -0.03 2.17 2.01 -1.26 -0.40 115.64 119.38 1rbu s THR 34 Ca 0.14 -0.98 0.07 0.00 0.31 0.00 0.00 61.69 61.23 1rbu s THR 34 Cb -0.12 -1.83 -0.02 0.00 0.01 0.00 0.00 72.50 70.54 1rbu s THR 34 CO 0.03 0.55 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.92 1rbu s PHE 35 N 0.51 2.42 -0.25 4.92 0.40 -0.25 -5.00 117.98 120.74 1rbu s PHE 35 Ca -0.14 -0.40 -0.20 0.00 -0.60 0.00 0.00 56.93 55.59 1rbu s PHE 35 Cb -0.17 -1.54 0.07 0.00 0.51 0.00 0.00 43.02 41.89 1rbu s PHE 35 CO 0.05 -0.00 0.66 0.45 0.70 0.00 0.00 175.22 177.07 1rbu s SER 36 N -0.60 -0.75 -0.03 1.36 0.15 -1.26 -1.24 113.70 111.33 1rbu s SER 36 Ca 0.09 1.36 -0.21 0.00 0.70 0.00 0.00 55.95 57.90 1rbu s SER 36 Cb -0.10 1.33 0.04 0.00 -1.71 0.00 0.00 66.02 65.58 1rbu s SER 36 CO -0.00 -0.23 0.45 0.00 1.20 0.00 0.00 173.24 174.65 1rbu s ALA 37 N 0.76 -1.15 0.04 5.45 0.00 -1.21 -5.02 121.76 120.63 1rbu s ALA 37 Ca -0.03 0.69 0.07 0.00 0.00 0.00 0.00 51.96 52.68 1rbu s ALA 37 Cb -0.05 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1rbu s ALA 37 CO -0.06 -0.30 -0.18 0.20 0.00 0.00 0.00 175.76 175.42 1rbu s GLY 38 N -1.29 1.58 -0.04 0.00 0.00 -1.26 -2.53 107.32 103.78 1rbu s GLY 38 Ca -0.13 -1.20 0.07 0.00 0.00 0.00 0.00 44.72 43.47 1rbu s GLY 38 CO 0.06 -1.09 -0.25 -0.19 0.00 0.00 0.00 173.10 171.63 1rbu s TYR 39 N -0.93 2.31 0.29 1.90 1.51 0.38 -1.43 117.35 121.38 1rbu s TYR 39 Ca 0.15 -0.56 -0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1rbu s TYR 39 Cb -0.10 -1.51 0.44 0.00 -0.11 0.00 0.00 41.96 40.68 1rbu s TYR 39 CO 0.05 -0.13 1.87 1.79 -1.11 0.00 0.00 175.55 178.03 1rbu h THR 40 N 4.79 1.21 -2.16 -0.71 1.35 -1.69 0.33 112.91 116.04 1rbu h THR 40 Ca -0.37 -0.68 -0.27 0.00 -0.55 0.00 0.00 66.41 64.54 1rbu h THR 40 Cb 1.15 0.52 -0.33 0.00 -1.73 0.00 0.00 68.15 67.76 1rbu h THR 40 CO 0.47 0.27 -0.59 -0.60 -0.25 0.00 0.00 175.52 174.82 1rbu s ARG 41 N -5.38 0.30 0.00 4.72 3.52 -1.25 -3.04 118.95 117.81 1rbu s ARG 41 Ca -0.10 0.14 0.00 0.00 -0.13 0.00 0.00 55.73 55.64 1rbu s ARG 41 Cb 0.16 -0.74 0.00 0.00 -1.56 0.00 0.00 34.95 32.81 1rbu s ARG 41 CO 0.79 -0.83 0.00 -2.37 -0.81 0.00 0.00 175.30 172.09 1rbu n THR 42 N 5.33 0.00 -4.27 4.11 5.66 0.29 -4.54 114.28 120.87 1rbu n THR 42 Ca -0.03 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.82 1rbu n THR 42 Cb 0.48 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.16 1rbu n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1rbu s THR 43 N -2.60 1.28 0.17 1.09 -4.23 -1.26 -0.22 115.64 109.87 1rbu s THR 43 Ca 0.00 -2.09 -0.15 0.00 -1.18 0.00 0.00 61.69 58.27 1rbu s THR 43 Cb 0.00 -1.88 0.05 0.00 1.34 0.00 0.00 72.50 72.00 1rbu s THR 43 CO 0.00 -0.72 1.82 -1.13 -0.54 0.00 0.00 174.62 174.06 1rbu h ASN 44 N 2.74 0.52 -0.46 3.99 -1.24 -1.84 -2.44 115.58 116.85 1rbu h ASN 44 Ca -0.37 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 56.60 1rbu h ASN 44 Cb 1.20 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 40.10 1rbu h ASN 44 CO 0.63 0.37 0.18 0.78 -1.29 0.00 0.00 177.43 178.10 1rbu h ASN 45 N 0.62 0.69 -0.10 1.15 -0.26 -1.95 -1.11 115.58 114.62 1rbu h ASN 45 Ca 0.18 -0.10 -0.19 0.00 -0.56 0.00 0.00 56.30 55.64 1rbu h ASN 45 Cb -0.04 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.04 1rbu h ASN 45 CO -0.05 0.65 -0.63 0.03 -1.06 0.00 0.00 177.43 176.36 1rbu h ARG 46 N 0.74 0.72 -0.50 0.81 3.08 -1.90 -2.45 114.38 114.90 1rbu h ARG 46 Ca 0.17 -0.50 -0.09 0.00 0.07 0.00 0.00 59.98 59.63 1rbu h ARG 46 Cb 0.20 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1rbu h ARG 46 CO -0.01 1.13 -0.05 0.52 -1.07 0.00 0.00 179.97 180.49 1rbu h MET 47 N 0.53 0.91 -0.43 0.04 2.86 -1.25 0.06 114.93 117.64 1rbu h MET 47 Ca -0.01 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.29 1rbu h MET 47 Cb 1.23 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.80 1rbu h MET 47 CO 0.13 0.96 0.14 0.93 1.06 0.00 0.00 176.91 180.13 1rbu h GLU 48 N 0.76 0.63 -0.04 1.72 5.08 -1.16 -0.61 114.58 120.96 1rbu h GLU 48 Ca 0.13 -0.10 -0.24 0.00 -1.00 0.00 0.00 59.36 58.15 1rbu h GLU 48 Cb 0.58 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.74 1rbu h GLU 48 CO 0.03 0.55 -0.93 -0.07 -1.00 0.00 0.00 179.01 177.60 1rbu h LEU 49 N 0.62 0.89 -1.17 1.33 3.38 -1.28 -3.25 115.31 115.83 1rbu h LEU 49 Ca 0.15 -0.71 0.03 0.00 0.09 0.00 0.00 57.88 57.44 1rbu h LEU 49 Cb 0.18 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1rbu h LEU 49 CO -0.01 1.47 0.57 -0.03 0.09 0.00 0.00 178.44 180.53 1rbu h MET 50 N 0.38 1.06 0.01 1.13 4.05 -0.38 -1.70 114.93 119.48 1rbu h MET 50 Ca -0.10 -0.06 0.02 0.00 -0.28 0.00 0.00 59.70 59.28 1rbu h MET 50 Cb 1.58 -0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 32.11 1rbu h MET 50 CO 0.18 0.70 -0.18 0.00 0.23 0.00 0.00 176.91 177.85 1rbu h ALA 51 N 1.49 -0.22 -0.70 0.39 0.00 -1.16 -1.96 119.26 117.09 1rbu h ALA 51 Ca 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1rbu h ALA 51 Cb -0.00 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1rbu h ALA 51 CO -0.10 -0.67 0.37 0.00 0.00 0.00 0.00 179.25 178.85 1rbu h ALA 52 N 0.61 0.90 0.38 0.00 0.00 -1.60 -2.95 119.26 116.61 1rbu h ALA 52 Ca 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1rbu h ALA 52 Cb 0.36 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1rbu h ALA 52 CO -0.16 0.43 -0.41 0.82 0.00 0.00 0.00 179.25 179.93 1rbu h ILE 53 N 0.97 0.18 -0.59 0.00 2.04 -0.83 -1.92 117.51 117.35 1rbu h ILE 53 Ca 0.24 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.14 1rbu h ILE 53 Cb 0.06 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.28 1rbu h ILE 53 CO -0.04 0.00 0.35 0.58 0.00 0.00 0.00 178.15 179.05 1rbu h VAL 54 N -0.81 1.05 -0.54 1.67 2.07 -1.40 -0.93 116.25 117.36 1rbu h VAL 54 Ca -0.03 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1rbu h VAL 54 Cb 0.73 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1rbu h VAL 54 CO -0.08 0.13 0.25 0.00 0.02 0.00 0.00 177.57 177.88 1rbu h ALA 55 N 1.27 0.70 -0.36 1.67 0.00 -1.47 -2.99 119.26 118.08 1rbu h ALA 55 Ca 0.24 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1rbu h ALA 55 Cb 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1rbu h ALA 55 CO -0.11 0.28 -0.18 -0.07 0.00 0.00 0.00 179.25 179.17 1rbu h LEU 56 N 0.73 0.78 -1.14 0.00 3.38 -1.16 -3.04 115.31 114.86 1rbu h LEU 56 Ca 0.18 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1rbu h LEU 56 Cb 0.14 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1rbu h LEU 56 CO -0.02 1.01 0.00 -0.62 0.09 0.00 0.00 178.44 178.90 1rbu n GLU 57 N -4.30 0.17 0.22 1.13 1.02 -0.37 -1.54 120.64 116.97 1rbu n GLU 57 Ca -0.02 0.55 0.11 0.00 -0.02 0.00 0.00 57.16 57.78 1rbu n GLU 57 Cb 0.41 -1.94 0.26 0.00 -0.02 0.00 0.00 31.44 30.15 1rbu n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rbu h ALA 58 N 2.11 0.95 -2.07 0.62 0.00 -1.40 -3.43 119.26 116.04 1rbu h ALA 58 Ca 0.00 -0.10 -0.57 0.00 0.00 0.00 0.00 54.91 54.24 1rbu h ALA 58 Cb 0.17 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1rbu h ALA 58 CO 0.00 0.13 0.88 -0.51 0.00 0.00 0.00 179.25 179.76 1rbu s LEU 59 N -6.30 4.08 0.00 0.00 1.43 -0.59 -4.92 118.68 112.38 1rbu s LEU 59 Ca 0.05 1.45 0.25 0.00 -1.03 0.00 0.00 54.13 54.85 1rbu s LEU 59 Cb 0.07 -3.54 0.49 0.00 0.03 0.00 0.00 46.19 43.23 1rbu s LEU 59 CO 0.66 -0.81 1.41 0.29 0.23 0.00 0.00 176.35 178.13 1rbu n LYS 60 N 6.69 1.42 -4.11 1.70 4.76 -1.26 -4.95 118.16 122.41 1rbu n LYS 60 Ca 0.13 -1.03 -0.11 0.00 -2.87 0.00 0.00 58.31 54.43 1rbu n LYS 60 Cb 0.46 -1.48 -0.07 0.00 -1.84 0.00 0.00 35.03 32.09 1rbu n LYS 60 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1rbu s GLU 61 N -2.29 1.42 -0.08 1.97 1.03 -1.26 -5.11 118.70 114.38 1rbu s GLU 61 Ca 0.26 -1.49 -0.30 0.00 0.03 0.00 0.00 54.97 53.47 1rbu s GLU 61 Cb 0.19 0.37 -0.03 0.00 -0.80 0.00 0.00 34.13 33.86 1rbu s GLU 61 CO 0.45 -0.54 1.28 -1.01 -1.33 0.00 0.00 175.26 174.11 1rbu s HIS 62 N -3.99 2.96 0.31 4.83 3.76 -1.26 -4.96 115.29 116.94 1rbu s HIS 62 Ca 0.31 1.03 0.07 0.00 -0.15 0.00 0.00 55.06 56.32 1rbu s HIS 62 Cb 0.03 -3.51 -0.06 0.00 1.11 0.00 0.00 32.58 30.15 1rbu s HIS 62 CO 0.12 -1.75 -0.04 0.00 -0.85 0.00 0.00 174.74 172.21 1rbu s GLU 64 N -3.72 3.54 0.11 0.00 2.02 -1.26 -1.33 118.70 118.05 1rbu s GLU 64 Ca 0.31 -0.59 0.10 0.00 0.02 0.00 0.00 54.97 54.81 1rbu s GLU 64 Cb 0.05 -3.61 -0.04 0.00 0.10 0.00 0.00 34.13 30.63 1rbu s GLU 64 CO 0.14 -0.34 -0.24 0.08 0.02 0.00 0.00 175.26 174.91 1rbu s VAL 65 N 1.67 1.99 -0.16 2.63 1.01 0.92 -0.49 120.40 127.97 1rbu s VAL 65 Ca 0.06 -1.62 0.01 0.00 0.00 0.00 0.00 61.98 60.43 1rbu s VAL 65 Cb -0.17 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.46 1rbu s VAL 65 CO 0.08 0.05 -0.14 -0.51 0.00 0.00 0.00 175.10 174.58 1rbu s ILE 66 N -1.07 1.65 -0.16 2.22 2.07 0.84 -0.92 121.20 125.82 1rbu s ILE 66 Ca 0.10 -0.73 -0.02 0.00 -1.41 0.00 0.00 60.65 58.60 1rbu s ILE 66 Cb -0.10 -1.57 -0.01 0.00 0.13 0.00 0.00 42.46 40.91 1rbu s ILE 66 CO 0.05 0.43 -0.10 -0.22 -1.91 0.00 0.00 174.94 173.19 1rbu s LEU 67 N 1.45 2.80 -0.15 8.50 0.20 0.39 -1.47 118.68 130.40 1rbu s LEU 67 Ca 0.04 -0.34 0.00 0.00 0.69 0.00 0.00 54.13 54.52 1rbu s LEU 67 Cb -0.13 -1.66 -0.01 0.00 -0.43 0.00 0.00 46.19 43.96 1rbu s LEU 67 CO -0.11 0.10 -0.15 -0.55 -0.29 0.00 0.00 176.35 175.36 1rbu s SER 68 N 0.75 3.75 -0.10 3.68 0.15 0.22 -0.74 113.70 121.41 1rbu s SER 68 Ca -0.04 -0.43 -0.30 0.00 0.70 0.00 0.00 55.95 55.88 1rbu s SER 68 Cb -0.15 -1.57 0.07 0.00 -1.71 0.00 0.00 66.02 62.66 1rbu s SER 68 CO 0.02 0.11 0.71 0.28 1.20 0.00 0.00 173.24 175.55 1rbu s THR 69 N 0.68 0.00 -1.70 6.45 -1.32 -0.93 -2.41 115.64 116.41 1rbu s THR 69 Ca -0.07 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 60.58 1rbu s THR 69 Cb -0.16 -1.00 0.56 0.00 -1.51 0.00 0.00 72.50 70.39 1rbu s THR 69 CO 0.02 0.00 1.46 -0.90 -2.21 0.00 0.00 174.62 172.99 1rbu n ASP 70 N 1.28 3.54 -4.64 8.08 5.75 -1.25 -2.22 116.55 127.08 1rbu n ASP 70 Ca -0.18 -2.14 -0.43 0.00 -0.01 0.00 0.00 54.79 52.03 1rbu n ASP 70 Cb 0.57 -0.45 -0.02 0.00 -1.03 0.00 0.00 41.12 40.18 1rbu n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1rbu s SER 71 N -0.93 6.76 0.15 -1.12 0.15 -1.26 -4.75 113.70 112.69 1rbu s SER 71 Ca 0.41 1.50 -0.09 0.00 0.70 0.00 0.00 55.95 58.47 1rbu s SER 71 Cb 0.23 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.99 1rbu s SER 71 CO 0.25 -0.96 1.46 -0.61 1.20 0.00 0.00 173.24 174.59 1rbu h GLN 72 N 8.99 0.84 -0.54 5.44 4.15 -1.96 -2.50 115.11 129.54 1rbu h GLN 72 Ca -0.28 -0.49 -0.05 0.00 0.77 0.00 0.00 58.65 58.61 1rbu h GLN 72 Cb 1.11 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.81 1rbu h GLN 72 CO 1.00 1.12 0.14 -0.92 -1.93 0.00 0.00 178.83 178.24 1rbu h TYR 73 N 0.67 0.91 -0.35 3.99 3.20 -1.98 0.12 116.97 123.52 1rbu h TYR 73 Ca 0.04 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 61.69 1rbu h TYR 73 Cb 1.05 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1rbu h TYR 73 CO 0.06 0.78 -0.21 0.28 -1.64 0.00 0.00 178.16 177.44 1rbu h VAL 74 N 0.76 1.29 -0.44 1.81 2.07 -1.94 -2.00 116.25 117.81 1rbu h VAL 74 Ca 0.17 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 1rbu h VAL 74 Cb 0.33 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1rbu h VAL 74 CO 0.00 0.44 0.25 -0.09 0.02 0.00 0.00 177.57 178.20 1rbu h ARG 75 N 0.54 0.60 -0.28 1.57 2.43 -1.08 -0.83 114.38 117.33 1rbu h ARG 75 Ca 0.07 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1rbu h ARG 75 Cb 0.76 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1rbu h ARG 75 CO 0.06 0.45 0.18 1.96 -1.51 0.00 0.00 179.97 181.11 1rbu h GLN 76 N 0.57 0.38 0.08 0.20 4.20 -0.71 0.17 115.11 120.00 1rbu h GLN 76 Ca 0.16 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1rbu h GLN 76 Cb 0.02 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1rbu h GLN 76 CO -0.03 0.27 -0.04 0.78 -0.67 0.00 0.00 178.83 179.15 1rbu h GLY 77 N 0.37 -0.11 0.98 3.46 0.00 -1.16 0.32 103.07 106.93 1rbu h GLY 77 Ca 0.10 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 1rbu h GLY 77 CO -0.02 -0.04 0.27 -2.22 0.00 0.00 0.00 176.54 174.53 1rbu h ILE 78 N -0.13 1.19 0.00 2.60 1.08 -0.97 0.60 117.51 121.89 1rbu h ILE 78 Ca -0.01 -0.53 -0.28 0.00 -0.39 0.00 0.00 64.86 63.65 1rbu h ILE 78 Cb 0.10 0.56 -0.05 0.00 -3.07 0.00 0.00 36.82 34.36 1rbu h ILE 78 CO 0.02 0.21 -1.74 0.35 -0.69 0.00 0.00 178.15 176.30 1rbu n THR 79 N -4.59 1.54 0.00 -0.27 -2.24 0.03 -4.71 114.28 104.04 1rbu n THR 79 Ca 0.03 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1rbu n THR 79 Cb 0.11 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 1rbu n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rbu n GLN 80 N -3.00 2.22 -0.09 -0.78 6.02 0.11 -4.98 117.38 116.88 1rbu n GLN 80 Ca -0.17 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.64 1rbu n GLN 80 Cb 1.04 -0.95 -0.06 0.00 1.02 0.00 0.00 30.24 31.28 1rbu n GLN 80 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1rbu n TRP 81 N -1.64 0.00 -0.35 1.08 8.01 -0.88 -4.77 117.44 118.90 1rbu n TRP 81 Ca 0.00 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1rbu n TRP 81 Cb 0.25 -0.65 0.05 0.00 -2.01 0.00 0.00 31.31 28.94 1rbu n TRP 81 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.69 175.79 1rbu n ILE 82 N -4.10 -0.48 -0.15 -0.99 5.41 0.15 -1.49 119.36 117.71 1rbu n ILE 82 Ca -0.32 2.17 -0.03 0.00 1.00 0.00 0.00 62.75 65.57 1rbu n ILE 82 Cb 0.67 -2.88 0.05 0.00 -0.71 0.00 0.00 39.64 36.77 1rbu n ILE 82 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 1rbu h HIS 83 N 0.00 -0.08 -0.01 1.39 2.76 -1.87 -1.53 115.15 115.82 1rbu h HIS 83 Ca 0.34 0.04 -0.14 0.00 -2.20 0.00 0.00 60.37 58.40 1rbu h HIS 83 Cb 0.57 0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.62 1rbu h HIS 83 CO -0.80 -0.13 -0.66 -0.91 -1.30 0.00 0.00 177.93 174.13 1rbu h ASN 84 N 0.09 0.04 0.08 3.26 2.35 -1.67 -3.12 115.58 116.60 1rbu h ASN 84 Ca 0.24 -0.02 -0.18 0.00 -0.55 0.00 0.00 56.30 55.79 1rbu h ASN 84 Cb 0.36 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1rbu h ASN 84 CO -0.42 0.68 -0.65 -0.50 -1.65 0.00 0.00 177.43 174.89 1rbu h TRP 85 N 0.02 0.71 -0.08 1.19 6.55 -0.58 -2.28 115.95 121.48 1rbu h TRP 85 Ca -0.01 -0.28 -0.13 0.00 0.95 0.00 0.00 58.89 59.42 1rbu h TRP 85 Cb 1.16 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 29.33 1rbu h TRP 85 CO 0.00 1.04 -0.54 0.87 -1.05 0.00 0.00 178.44 178.76 1rbu h LYS 86 N 0.39 0.22 -0.52 0.49 1.57 -1.28 0.76 116.57 118.20 1rbu h LYS 86 Ca -0.01 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 1rbu h LYS 86 Cb 1.22 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 1rbu h LYS 86 CO 0.12 0.71 -0.15 0.87 -0.57 0.00 0.00 179.45 180.44 1rbu h LYS 87 N 0.17 1.02 -0.02 3.15 1.79 -1.53 -3.16 116.57 117.99 1rbu h LYS 87 Ca 0.00 -0.40 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 1rbu h LYS 87 Cb 1.02 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 1rbu h LYS 87 CO 0.08 1.08 0.00 0.54 -1.08 0.00 0.00 179.45 180.08 1rbu n ARG 88 N -4.13 1.49 -1.90 3.15 1.74 -0.86 -4.94 116.66 111.21 1rbu n ARG 88 Ca 0.01 -0.71 -0.07 0.00 -0.77 0.00 0.00 57.85 56.31 1rbu n ARG 88 Cb 0.42 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.38 1rbu n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rbu n GLY 89 N 1.12 0.29 3.14 -0.13 0.00 -0.56 -3.79 105.19 105.25 1rbu n GLY 89 Ca 0.20 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 1rbu n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1rbu n TRP 90 N -3.72 -2.13 -4.32 1.61 7.02 0.25 -4.98 117.44 111.18 1rbu n TRP 90 Ca -0.07 0.82 -0.22 0.00 -1.02 0.00 0.00 57.50 57.00 1rbu n TRP 90 Cb 0.48 -4.48 -0.11 0.00 -2.42 0.00 0.00 31.31 24.77 1rbu n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1rbu s LYS 91 N -5.62 1.25 0.77 -0.99 1.02 -1.25 -1.77 119.74 113.14 1rbu s LYS 91 Ca 0.25 -1.37 -0.11 0.00 0.02 0.00 0.00 55.97 54.76 1rbu s LYS 91 Cb -0.11 -1.34 0.06 0.00 -0.52 0.00 0.00 37.83 35.93 1rbu s LYS 91 CO 0.61 0.28 1.13 0.95 -0.92 0.00 0.00 175.35 177.39 1rbu s THR 92 N -1.92 2.38 0.40 2.17 -4.23 1.00 -4.82 115.64 110.62 1rbu s THR 92 Ca 0.14 0.05 0.34 0.00 -1.18 0.00 0.00 61.69 61.04 1rbu s THR 92 Cb -0.06 -3.11 0.37 0.00 1.34 0.00 0.00 72.50 71.04 1rbu s THR 92 CO 0.06 -0.13 2.14 0.00 -0.54 0.00 0.00 174.62 176.14 1rbu h ALA 93 N -0.88 1.12 -0.60 3.99 0.00 -2.01 -1.93 119.26 118.94 1rbu h ALA 93 Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1rbu h ALA 93 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1rbu h ALA 93 CO 0.64 0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.56 1rbu n ASP 94 N -3.31 4.56 -1.87 0.00 5.75 -1.26 -4.94 116.55 115.47 1rbu n ASP 94 Ca -0.01 -2.45 -0.11 0.00 -0.01 0.00 0.00 54.79 52.21 1rbu n ASP 94 Cb 0.21 -0.57 0.04 0.00 -1.03 0.00 0.00 41.12 39.76 1rbu n ASP 94 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1rbu n ASN 95 N 1.01 -3.95 -4.55 -1.12 5.15 -0.73 -5.06 115.26 106.02 1rbu n ASN 95 Ca 0.24 -0.24 -0.26 0.00 -0.60 0.00 0.00 54.58 53.73 1rbu n ASN 95 Cb 0.86 -2.51 -0.11 0.00 -0.53 0.00 0.00 39.78 37.50 1rbu n ASN 95 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1rbu s LYS 96 N -5.58 1.82 0.50 1.20 1.02 -1.26 -4.86 119.74 112.59 1rbu s LYS 96 Ca 0.26 -1.94 -0.24 0.00 0.02 0.00 0.00 55.97 54.07 1rbu s LYS 96 Cb -0.11 -1.69 -0.07 0.00 -0.52 0.00 0.00 37.83 35.44 1rbu s LYS 96 CO 0.32 0.13 1.41 -2.14 -0.92 0.00 0.00 175.35 174.15 1rbu s PRO 97 N -3.62 3.41 0.73 -1.68 0.02 -1.26 -0.00 135.00 132.61 1rbu s PRO 97 Ca 0.33 2.36 -0.14 0.00 0.02 0.00 0.00 61.00 63.57 1rbu s PRO 97 Cb 0.03 -2.47 0.04 0.00 0.02 0.00 0.00 34.50 32.12 1rbu s PRO 97 CO 0.16 -1.01 1.16 0.14 -0.33 0.00 0.00 177.00 177.12 1rbu s VAL 98 N -1.24 2.69 0.11 3.83 -7.23 -0.73 -4.68 120.40 113.15 1rbu s VAL 98 Ca 0.66 0.31 -0.31 0.00 -1.81 0.00 0.00 61.98 60.83 1rbu s VAL 98 Cb -0.43 -2.79 -0.09 0.00 0.56 0.00 0.00 36.38 33.63 1rbu s VAL 98 CO 0.53 -0.21 1.60 -0.75 -0.31 0.00 0.00 175.10 175.96 1rbu s LYS 99 N -4.15 4.21 -1.53 4.82 2.20 -1.26 -2.15 119.74 121.89 1rbu s LYS 99 Ca 0.70 2.32 -0.01 0.00 -0.36 0.00 0.00 55.97 58.62 1rbu s LYS 99 Cb -0.24 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 1rbu s LYS 99 CO 0.46 -0.66 0.08 0.09 -0.36 0.00 0.00 175.35 174.96 1rbu n ASN 100 N 4.85 -5.32 -0.27 1.43 3.02 -1.26 -4.89 115.26 112.82 1rbu n ASN 100 Ca 0.15 -0.05 0.25 0.00 -0.03 0.00 0.00 54.58 54.89 1rbu n ASN 100 Cb 0.40 -4.36 0.58 0.00 -0.61 0.00 0.00 39.78 35.79 1rbu n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1rbu h VAL 101 N -0.18 0.56 -0.06 2.41 3.04 -1.81 -0.88 116.25 119.33 1rbu h VAL 101 Ca -0.44 -0.09 0.03 0.00 -1.01 0.00 0.00 66.70 65.19 1rbu h VAL 101 Cb 1.32 0.26 -0.03 0.00 -2.01 0.00 0.00 31.29 30.83 1rbu h VAL 101 CO 0.51 0.05 -0.10 -2.24 -1.01 0.00 0.00 177.57 174.78 1rbu h ASP 102 N 0.27 -0.29 -0.08 3.17 2.03 -1.90 -0.96 116.42 118.66 1rbu h ASP 102 Ca 0.52 0.05 -0.13 0.00 -0.73 0.00 0.00 57.03 56.75 1rbu h ASP 102 Cb 1.56 0.14 0.01 0.00 -0.83 0.00 0.00 39.33 40.20 1rbu h ASP 102 CO -0.17 -0.13 -0.46 -0.07 -1.03 0.00 0.00 179.24 177.38 1rbu h LEU 103 N -0.13 0.55 -0.96 0.15 3.38 -1.61 -2.66 115.31 114.03 1rbu h LEU 103 Ca 0.06 -0.65 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 1rbu h LEU 103 Cb 0.22 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1rbu h LEU 103 CO -0.14 1.12 0.49 -0.50 0.09 0.00 0.00 178.44 179.49 1rbu h TRP 104 N 0.02 1.20 -0.50 1.13 4.06 -1.20 0.28 115.95 120.94 1rbu h TRP 104 Ca -0.03 -0.02 -0.13 0.00 2.06 0.00 0.00 58.89 60.77 1rbu h TRP 104 Cb 1.11 -0.39 -0.01 0.00 -1.00 0.00 0.00 29.16 28.87 1rbu h TRP 104 CO 0.12 0.82 -0.19 1.96 -3.56 0.00 0.00 178.44 177.60 1rbu h GLN 105 N 1.23 1.01 -0.23 0.49 4.20 -1.25 -1.12 115.11 119.44 1rbu h GLN 105 Ca 0.31 -0.41 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1rbu h GLN 105 Cb 0.01 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1rbu h GLN 105 CO -0.05 1.09 0.05 -0.09 -0.67 0.00 0.00 178.83 179.16 1rbu h ARG 106 N 0.87 0.37 -0.06 1.46 2.43 -1.06 -2.21 114.38 116.18 1rbu h ARG 106 Ca 0.12 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1rbu h ARG 106 Cb 0.76 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1rbu h ARG 106 CO 0.06 0.49 0.04 1.25 -1.51 0.00 0.00 179.97 180.30 1rbu h LEU 107 N 0.19 0.07 -0.77 3.80 5.85 -0.39 -2.89 115.31 121.18 1rbu h LEU 107 Ca 0.07 -0.05 0.15 0.00 0.84 0.00 0.00 57.88 58.89 1rbu h LEU 107 Cb 0.29 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.20 1rbu h LEU 107 CO 0.00 0.10 0.29 -0.78 -0.34 0.00 0.00 178.44 177.71 1rbu h ASP 108 N 0.04 0.23 -0.72 1.25 3.58 -1.14 -0.21 116.42 119.45 1rbu h ASP 108 Ca 0.02 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.59 1rbu h ASP 108 Cb 0.04 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 1rbu h ASP 108 CO -0.00 0.06 0.44 0.00 -2.88 0.00 0.00 179.24 176.86 1rbu h ALA 109 N 1.58 0.92 -0.10 -0.78 0.00 -1.30 -2.55 119.26 117.02 1rbu h ALA 109 Ca 0.43 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 55.09 1rbu h ALA 109 Cb 0.69 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1rbu h ALA 109 CO -0.44 0.39 -0.66 0.00 0.00 0.00 0.00 179.25 178.54 1rbu h ALA 110 N 1.23 0.67 -0.67 0.00 0.00 -1.09 -3.23 119.26 116.16 1rbu h ALA 110 Ca 0.26 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1rbu h ALA 110 Cb -0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1rbu h ALA 110 CO -0.05 0.74 0.37 -0.07 0.00 0.00 0.00 179.25 180.24 1rbu h LEU 111 N 0.29 0.84 0.00 0.00 3.38 -0.86 -3.06 115.31 115.90 1rbu h LEU 111 Ca -0.02 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1rbu h LEU 111 Cb 1.22 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1rbu h LEU 111 CO 0.11 0.69 0.00 0.61 0.09 0.00 0.00 178.44 179.95 1rbu n GLY 112 N -1.07 -0.70 0.26 0.83 0.00 -0.98 -2.59 105.19 100.93 1rbu n GLY 112 Ca 0.05 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1rbu n GLY 112 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rbu n GLN 113 N -1.29 0.67 -4.25 1.61 1.13 -1.16 -5.01 117.38 109.08 1rbu n GLN 113 Ca 0.06 -0.53 -0.14 0.00 -1.94 0.00 0.00 57.00 54.45 1rbu n GLN 113 Cb 0.10 -1.49 -0.10 0.00 0.11 0.00 0.00 30.24 28.86 1rbu n GLN 113 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1rbu s HIS 114 N -2.69 1.31 -0.39 1.08 3.76 -1.07 -4.28 115.29 113.01 1rbu s HIS 114 Ca 0.15 -1.25 -0.12 0.00 -0.15 0.00 0.00 55.06 53.69 1rbu s HIS 114 Cb 0.18 -0.71 0.03 0.00 1.11 0.00 0.00 32.58 33.18 1rbu s HIS 114 CO 0.67 -0.46 0.24 -0.65 -0.85 0.00 0.00 174.74 173.69 1rbu s GLN 115 N -4.07 2.86 -0.12 1.40 -0.21 -0.44 -4.99 119.66 114.07 1rbu s GLN 115 Ca 0.36 -1.08 -0.01 0.00 0.02 0.00 0.00 55.36 54.65 1rbu s GLN 115 Cb 0.07 -3.81 -0.02 0.00 1.00 0.00 0.00 33.01 30.25 1rbu s GLN 115 CO 0.11 -0.73 -0.08 0.42 -2.12 0.00 0.00 175.29 172.90 1rbu s ILE 116 N 1.59 3.55 -0.20 1.08 1.01 -1.26 -0.06 121.20 126.91 1rbu s ILE 116 Ca 0.03 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 1rbu s ILE 116 Cb -0.19 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.79 1rbu s ILE 116 CO 0.08 0.53 -0.14 -0.75 0.00 0.00 0.00 174.94 174.66 1rbu s LYS 117 N 0.02 3.07 -0.11 2.79 2.20 -0.10 -4.99 119.74 122.62 1rbu s LYS 117 Ca -0.02 -0.80 -0.12 0.00 -0.36 0.00 0.00 55.97 54.68 1rbu s LYS 117 Cb -0.14 -2.76 -0.05 0.00 -1.51 0.00 0.00 37.83 33.38 1rbu s LYS 117 CO 0.03 -0.24 0.26 -1.58 -0.36 0.00 0.00 175.35 173.46 1rbu s TRP 118 N 1.34 3.56 -0.28 4.03 0.52 -1.26 -0.46 118.94 126.40 1rbu s TRP 118 Ca 0.04 0.65 0.01 0.00 0.02 0.00 0.00 56.10 56.82 1rbu s TRP 118 Cb -0.14 -2.19 0.08 0.00 -1.15 0.00 0.00 33.47 30.07 1rbu s TRP 118 CO -0.09 0.49 0.01 -2.00 0.02 0.00 0.00 176.95 175.38 1rbu s GLU 119 N -0.36 1.31 -0.86 4.98 2.12 0.09 -4.92 118.70 121.05 1rbu s GLU 119 Ca 0.17 -1.19 -0.23 0.00 0.36 0.00 0.00 54.97 54.08 1rbu s GLU 119 Cb -0.13 -2.55 0.07 0.00 0.26 0.00 0.00 34.13 31.77 1rbu s GLU 119 CO 0.06 -0.78 1.23 -1.58 -0.54 0.00 0.00 175.26 173.65 1rbu s TRP 120 N 1.36 2.64 0.49 5.30 0.23 -1.26 -2.19 118.94 125.51 1rbu s TRP 120 Ca 0.02 -0.73 -0.03 0.00 -2.03 0.00 0.00 56.10 53.33 1rbu s TRP 120 Cb -0.18 -4.50 -0.02 0.00 0.03 0.00 0.00 33.47 28.80 1rbu s TRP 120 CO -0.12 -1.80 0.77 0.14 0.96 0.00 0.00 176.95 176.89 1rbu s VAL 121 N 4.42 4.37 0.00 4.03 -7.23 -0.94 -4.97 120.40 120.08 1rbu s VAL 121 Ca 0.35 -0.09 -0.10 0.00 -1.81 0.00 0.00 61.98 60.33 1rbu s VAL 121 Cb -0.07 -3.66 -0.05 0.00 0.56 0.00 0.00 36.38 33.16 1rbu s VAL 121 CO 0.00 -0.59 0.33 -0.54 -0.31 0.00 0.00 175.10 173.99 1rbu s LYS 122 N -4.72 3.73 0.21 4.82 -0.14 -1.26 -3.95 119.74 118.43 1rbu s LYS 122 Ca 0.49 0.16 -0.12 0.00 -1.36 0.00 0.00 55.97 55.14 1rbu s LYS 122 Cb -0.10 -3.12 0.28 0.00 -1.68 0.00 0.00 37.83 33.21 1rbu s LYS 122 CO 0.42 0.66 1.65 0.78 -0.76 0.00 0.00 175.35 178.10 1rbu h GLY 123 N 4.32 0.58 0.71 -3.33 0.00 -1.98 -0.38 103.07 102.99 1rbu h GLY 123 Ca -0.51 0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1rbu h GLY 123 CO 0.63 -0.22 0.00 -2.39 0.00 0.00 0.00 176.54 174.56 1rbu n HIS 124 N -5.35 0.01 -2.67 5.60 1.44 -1.26 -3.97 115.22 109.02 1rbu n HIS 124 Ca 0.09 -0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.71 1rbu n HIS 124 Cb 0.35 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.51 1rbu n HIS 124 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rbu n ALA 125 N -0.82 3.11 -2.99 1.59 0.00 -0.17 -5.11 120.51 116.13 1rbu n ALA 125 Ca 0.20 -2.88 -0.22 0.00 0.00 0.00 0.00 53.44 50.54 1rbu n ALA 125 Cb 0.11 -0.95 0.07 0.00 0.00 0.00 0.00 19.45 18.69 1rbu n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rbu n GLY 126 N -0.15 1.82 3.94 0.00 0.00 -1.11 -4.42 105.19 105.27 1rbu n GLY 126 Ca 0.07 -2.20 -0.28 0.00 0.00 0.00 0.00 46.02 43.61 1rbu n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rbu s HIS 127 N -2.36 1.92 0.45 1.61 3.76 -1.26 -4.89 115.29 114.52 1rbu s HIS 127 Ca 0.57 0.26 0.13 0.00 -0.15 0.00 0.00 55.06 55.87 1rbu s HIS 127 Cb -0.04 -3.70 1.06 0.00 1.11 0.00 0.00 32.58 31.00 1rbu s HIS 127 CO 0.36 -2.20 2.04 -1.35 -0.85 0.00 0.00 174.74 172.74 1rbu h PRO 128 N -1.22 0.33 -0.04 8.40 0.11 -2.00 -1.45 132.00 136.13 1rbu h PRO 128 Ca -0.43 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 1rbu h PRO 128 Cb 1.26 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1rbu h PRO 128 CO 0.44 0.22 -0.57 0.93 -0.21 0.00 0.00 178.00 178.81 1rbu h GLU 129 N 0.34 0.12 -0.19 1.05 3.07 -2.00 -2.51 114.58 114.46 1rbu h GLU 129 Ca 0.18 -0.08 -0.10 0.00 -0.50 0.00 0.00 59.36 58.86 1rbu h GLU 129 Cb 0.28 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1rbu h GLU 129 CO -0.04 0.66 -0.27 -0.91 -1.40 0.00 0.00 179.01 177.05 1rbu h ASN 130 N 0.09 0.56 -0.69 1.42 4.21 -1.62 -2.43 115.58 117.13 1rbu h ASN 130 Ca -0.00 -0.52 0.04 0.00 1.21 0.00 0.00 56.30 57.03 1rbu h ASN 130 Cb 1.04 -0.16 -0.05 0.00 -1.12 0.00 0.00 38.32 38.03 1rbu h ASN 130 CO 0.08 0.97 0.41 -0.33 -1.29 0.00 0.00 177.43 177.27 1rbu h GLU 131 N 0.17 0.75 -0.79 0.81 5.08 -1.43 -2.27 114.58 116.90 1rbu h GLU 131 Ca 0.02 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1rbu h GLU 131 Cb 0.84 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 1rbu h GLU 131 CO 0.06 0.50 0.46 -0.09 -1.00 0.00 0.00 179.01 178.94 1rbu h ARG 132 N 0.78 0.79 -0.44 2.33 2.43 -1.38 -1.15 114.38 117.74 1rbu h ARG 132 Ca 0.29 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.44 1rbu h ARG 132 Cb 0.10 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1rbu h ARG 132 CO -0.14 0.52 0.25 0.00 -1.51 0.00 0.00 179.97 179.09 1rbu h ASP 134 N 0.50 -0.01 -0.48 0.00 3.58 -0.86 0.37 116.42 119.51 1rbu h ASP 134 Ca 0.18 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 1rbu h ASP 134 Cb 0.03 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1rbu h ASP 134 CO -0.09 0.01 0.29 -0.33 -2.88 0.00 0.00 179.24 176.23 1rbu h GLU 135 N 0.04 0.66 -0.49 0.28 5.08 -0.91 -1.29 114.58 117.95 1rbu h GLU 135 Ca 0.04 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1rbu h GLU 135 Cb 0.03 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1rbu h GLU 135 CO -0.05 0.49 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.27 1rbu h LEU 136 N 0.64 0.89 -0.53 1.33 3.38 -0.43 -1.81 115.31 118.78 1rbu h LEU 136 Ca 0.17 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1rbu h LEU 136 Cb 0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1rbu h LEU 136 CO -0.03 1.01 0.30 0.00 0.09 0.00 0.00 178.44 179.80 1rbu h ALA 137 N 1.07 0.68 -0.15 1.53 0.00 0.04 -0.90 119.26 121.53 1rbu h ALA 137 Ca 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1rbu h ALA 137 Cb 0.63 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1rbu h ALA 137 CO 0.04 0.20 0.06 0.00 0.00 0.00 0.00 179.25 179.55 1rbu h ARG 138 N 0.71 0.23 -0.88 0.00 3.08 -1.16 -1.81 114.38 114.56 1rbu h ARG 138 Ca 0.19 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.20 1rbu h ARG 138 Cb 0.04 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1rbu h ARG 138 CO -0.03 0.33 0.58 0.00 -1.07 0.00 0.00 179.97 179.77 1rbu h ALA 139 N 0.89 1.11 -0.76 0.04 0.00 -1.16 -2.63 119.26 116.75 1rbu h ALA 139 Ca 0.05 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1rbu h ALA 139 Cb 0.18 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1rbu h ALA 139 CO -0.00 0.52 0.32 0.00 0.00 0.00 0.00 179.25 180.09 1rbu h ALA 140 N 1.32 0.98 0.00 0.00 0.00 -0.94 -2.35 119.26 118.27 1rbu h ALA 140 Ca 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1rbu h ALA 140 Cb -0.13 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.36 1rbu h ALA 140 CO -0.07 0.59 -0.04 0.00 0.00 0.00 0.00 179.25 179.73 1rbu h ALA 141 N 1.16 1.32 0.00 0.00 0.00 -0.96 -1.05 119.26 119.73 1rbu h ALA 141 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1rbu h ALA 141 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rbu h ALA 141 CO -0.02 0.06 -0.19 0.52 0.00 0.00 0.00 179.25 179.61 1rbu h MET 142 N 0.00 0.00 -1.81 0.00 2.86 -1.29 -3.39 114.93 111.31 1rbu h MET 142 Ca -0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.12 1rbu h MET 142 Cb 0.15 0.00 -0.37 0.00 0.06 0.00 0.00 31.60 31.44 1rbu h MET 142 CO 0.01 0.00 -1.06 -1.71 1.06 0.00 0.00 176.91 175.21 1rbu n ASN 143 N -2.25 -0.06 -4.74 1.22 4.05 -0.41 -5.12 115.26 107.94 1rbu n ASN 143 Ca 0.05 -2.78 -0.41 0.00 0.45 0.00 0.00 54.58 51.89 1rbu n ASN 143 Cb 0.44 -0.40 -0.04 0.00 1.23 0.00 0.00 39.78 41.01 1rbu n ASN 143 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1rbu s PRO 144 N -1.11 4.55 0.00 1.20 0.04 -1.13 -4.57 135.00 133.98 1rbu s PRO 144 Ca 0.35 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1rbu s PRO 144 Cb 0.19 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1rbu s PRO 144 CO -0.12 0.01 0.00 0.25 0.04 0.00 0.00 177.00 177.18 1rbu n THR 145 N 2.35 0.00 -3.98 1.26 -2.24 -0.51 -4.78 114.28 106.38 1rbu n THR 145 Ca 0.03 -0.24 -0.23 0.00 -2.27 0.00 0.00 64.05 61.34 1rbu n THR 145 Cb 0.45 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 69.40 1rbu n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1rbu s LEU 146 N -1.73 3.23 -0.14 3.22 1.43 -0.73 -4.97 118.68 118.99 1rbu s LEU 146 Ca 0.00 -0.91 -0.03 0.00 -1.03 0.00 0.00 54.13 52.16 1rbu s LEU 146 Cb 0.00 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 1rbu s LEU 146 CO 0.00 -0.50 -0.03 -0.70 0.23 0.00 0.00 176.35 175.35 1rbu s GLU 147 N -3.94 3.49 -0.84 1.70 2.12 -1.26 -2.04 118.70 117.93 1rbu s GLU 147 Ca 0.42 -0.50 -0.17 0.00 0.36 0.00 0.00 54.97 55.08 1rbu s GLU 147 Cb 0.00 -2.88 0.16 0.00 0.26 0.00 0.00 34.13 31.68 1rbu s GLU 147 CO 0.24 0.36 0.92 0.34 -0.54 0.00 0.00 175.26 176.58 1rbu s ASP 148 N 0.05 6.61 0.21 -1.70 2.15 -1.26 -4.90 116.67 117.83 1rbu s ASP 148 Ca 0.01 -2.20 -0.11 0.00 0.43 0.00 0.00 52.55 50.68 1rbu s ASP 148 Cb -0.13 -2.31 0.15 0.00 -0.30 0.00 0.00 42.92 40.32 1rbu s ASP 148 CO 0.02 -0.88 1.87 0.74 -0.17 0.00 0.00 175.17 176.75 1rbu h THR 149 N 5.43 1.19 0.00 1.71 2.02 -1.97 -2.97 112.91 118.34 1rbu h THR 149 Ca 0.07 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1rbu h THR 149 Cb 1.04 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1rbu h THR 149 CO 0.97 0.19 0.00 0.61 0.37 0.00 0.00 175.52 177.66 1rbu n GLY 150 N -1.27 -0.95 3.74 2.16 0.00 -1.26 -4.85 105.19 102.76 1rbu n GLY 150 Ca 0.07 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1rbu n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rbu s TYR 151 N -2.00 3.77 -0.02 1.61 5.04 -1.12 -4.98 117.35 119.65 1rbu s TYR 151 Ca 0.29 1.76 0.01 0.00 -2.44 0.00 0.00 57.07 56.69 1rbu s TYR 151 Cb 0.13 -3.12 0.02 0.00 0.35 0.00 0.00 41.96 39.34 1rbu s TYR 151 CO 0.22 -0.05 -0.02 -0.65 -1.34 0.00 0.00 175.55 173.72 1rbu s GLN 152 N -0.53 0.37 0.37 4.97 -0.21 -1.26 -5.00 119.66 118.36 1rbu s GLN 152 Ca 0.46 -0.02 0.06 0.00 0.02 0.00 0.00 55.36 55.88 1rbu s GLN 152 Cb -0.27 -0.46 0.72 0.00 1.00 0.00 0.00 33.01 34.01 1rbu s GLN 152 CO 0.33 -0.05 1.96 0.28 -2.12 0.00 0.00 175.29 175.69 1rbu h VAL 153 N 5.82 1.16 0.00 1.09 2.07 -2.03 -3.42 116.25 120.93 1rbu h VAL 153 Ca -0.37 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1rbu h VAL 153 Cb 1.16 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1rbu h VAL 153 CO 0.49 0.19 0.00 -0.62 0.02 0.00 0.00 177.57 177.65 1rbu n GLU 154 N -4.37 1.25 0.00 1.57 4.71 -1.26 -5.18 120.64 117.36 1rbu n GLU 154 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.17 1rbu n GLU 154 Cb 0.16 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.59 1rbu n GLU 154 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50