#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rch n LEU 2 N 0.00 -5.51 -2.97 -0.89 7.99 -1.26 -3.68 117.00 110.68 1rch n LEU 2 Ca 0.00 2.68 -0.24 0.00 -0.01 0.00 0.00 56.01 58.45 1rch n LEU 2 Cb 0.00 -2.57 -0.03 0.00 -0.11 0.00 0.00 43.42 40.70 1rch n LEU 2 CO 0.00 -0.97 0.03 0.29 -1.51 0.00 0.00 177.39 175.24 1rch n LYS 3 N 0.93 2.53 -3.70 3.23 5.02 -1.26 -3.65 118.16 121.25 1rch n LYS 3 Ca 0.00 -4.36 -0.14 0.00 -2.02 0.00 0.00 58.31 51.79 1rch n LYS 3 Cb 0.00 -2.05 -0.08 0.00 -0.02 0.00 0.00 35.03 32.88 1rch n LYS 3 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1rch s GLN 4 N -3.17 0.78 -0.31 1.97 0.74 -1.26 -4.98 119.66 113.42 1rch s GLN 4 Ca 0.46 -0.09 -0.24 0.00 0.05 0.00 0.00 55.36 55.53 1rch s GLN 4 Cb 0.32 0.35 0.00 0.00 1.10 0.00 0.00 33.01 34.78 1rch s GLN 4 CO -0.12 -0.23 0.82 0.08 -0.55 0.00 0.00 175.29 175.29 1rch s VAL 5 N -1.36 4.76 -0.31 1.34 1.01 -1.26 -4.13 120.40 120.44 1rch s VAL 5 Ca -0.13 1.22 0.01 0.00 0.00 0.00 0.00 61.98 63.08 1rch s VAL 5 Cb -0.04 -4.18 0.08 0.00 0.00 0.00 0.00 36.38 32.24 1rch s VAL 5 CO 0.05 -0.29 0.01 -0.70 0.00 0.00 0.00 175.10 174.17 1rch s GLU 6 N 3.04 2.06 -0.91 2.72 2.56 0.04 -1.48 118.70 126.73 1rch s GLU 6 Ca 0.34 -1.54 -0.02 0.00 0.00 0.00 0.00 54.97 53.75 1rch s GLU 6 Cb -0.14 -3.16 0.24 0.00 2.00 0.00 0.00 34.13 33.07 1rch s GLU 6 CO 0.13 -0.76 0.87 -0.89 -0.56 0.00 0.00 175.26 174.06 1rch n ILE 7 N 4.46 3.30 -3.01 -3.70 2.08 0.54 -1.11 119.36 121.92 1rch n ILE 7 Ca -0.07 -5.23 -0.43 0.00 0.56 0.00 0.00 62.75 57.58 1rch n ILE 7 Cb 0.42 -2.34 -0.05 0.00 -0.75 0.00 0.00 39.64 36.92 1rch n ILE 7 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 1rch s PHE 8 N -1.62 2.92 0.06 1.39 2.19 -1.04 -1.28 117.98 120.60 1rch s PHE 8 Ca 0.29 -0.35 0.00 0.00 0.33 0.00 0.00 56.93 57.20 1rch s PHE 8 Cb -0.04 -3.82 -0.04 0.00 -1.31 0.00 0.00 43.02 37.81 1rch s PHE 8 CO -0.09 -1.21 0.19 0.95 1.83 0.00 0.00 175.22 176.89 1rch s THR 9 N 3.25 5.28 -0.29 0.12 -4.23 -0.72 -1.37 115.64 117.67 1rch s THR 9 Ca 0.21 -0.44 -0.13 0.00 -1.18 0.00 0.00 61.69 60.16 1rch s THR 9 Cb -0.17 -3.57 0.11 0.00 1.34 0.00 0.00 72.50 70.21 1rch s THR 9 CO 0.14 0.14 0.67 -0.62 -0.54 0.00 0.00 174.62 174.41 1rch s ASP 10 N -2.50 -1.05 -0.01 3.99 -1.08 0.25 -4.71 116.67 111.57 1rch s ASP 10 Ca 0.34 1.54 -0.04 0.00 -0.52 0.00 0.00 52.55 53.87 1rch s ASP 10 Cb -0.13 1.89 -0.00 0.00 -1.46 0.00 0.00 42.92 43.22 1rch s ASP 10 CO 0.27 -0.23 0.07 -0.83 0.52 0.00 0.00 175.17 174.98 1rch s GLY 11 N 2.33 0.05 -0.29 2.66 0.00 -1.26 -0.20 107.32 110.62 1rch s GLY 11 Ca -0.08 -0.10 -0.15 0.00 0.00 0.00 0.00 44.72 44.39 1rch s GLY 11 CO -0.19 -0.18 0.73 -0.56 0.00 0.00 0.00 173.10 172.89 1rch s SER 12 N -0.83 -0.92 0.09 1.64 0.01 -1.01 -4.70 113.70 107.97 1rch s SER 12 Ca -0.09 1.43 0.07 0.00 1.31 0.00 0.00 55.95 58.67 1rch s SER 12 Cb -0.05 1.54 -0.04 0.00 0.21 0.00 0.00 66.02 67.68 1rch s SER 12 CO 0.00 -0.22 -0.14 0.00 0.41 0.00 0.00 173.24 173.30 1rch n LEU 14 N 0.95 2.48 0.00 0.00 -0.00 -1.26 -4.66 117.00 114.51 1rch n LEU 14 Ca -0.15 -5.25 0.00 0.00 -0.00 0.00 0.00 56.01 50.61 1rch n LEU 14 Cb 0.52 0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 1rch n LEU 14 CO 0.30 2.22 0.00 0.61 -0.00 0.00 0.00 177.39 180.52 1rch n GLY 15 N 0.46 2.58 2.70 1.47 0.00 -1.26 -4.82 105.19 106.33 1rch n GLY 15 Ca 0.27 -0.16 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 1rch n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rch n ASN 16 N 0.00 -2.10 0.03 1.61 3.02 -1.26 -4.68 115.26 111.88 1rch n ASN 16 Ca 0.00 -1.74 -0.02 0.00 -0.03 0.00 0.00 54.58 52.79 1rch n ASN 16 Cb 0.00 1.09 -0.01 0.00 -0.61 0.00 0.00 39.78 40.25 1rch n ASN 16 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1rch h PRO 17 N 4.30 -0.11 0.00 3.52 0.13 -1.94 -3.52 132.00 134.38 1rch h PRO 17 Ca -0.02 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1rch h PRO 17 Cb 1.15 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1rch h PRO 17 CO -0.06 -0.07 0.00 0.41 -0.23 0.00 0.00 178.00 178.05 1rch n GLY 18 N 1.13 1.42 3.61 1.56 0.00 -1.22 -4.49 105.19 107.20 1rch n GLY 18 Ca -0.01 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 1rch n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rch s PRO 19 N -1.70 3.66 0.65 1.61 0.04 -0.71 0.18 135.00 138.74 1rch s PRO 19 Ca 0.00 1.04 -0.17 0.00 0.04 0.00 0.00 61.00 61.92 1rch s PRO 19 Cb 0.00 -3.99 -0.00 0.00 0.04 0.00 0.00 34.50 30.55 1rch s PRO 19 CO 0.00 -1.45 1.20 0.20 0.04 0.00 0.00 177.00 176.99 1rch s GLY 20 N 3.68 2.52 -0.29 0.56 0.00 -1.16 -4.35 107.32 108.28 1rch s GLY 20 Ca 0.61 0.90 -0.09 0.00 0.00 0.00 0.00 44.72 46.14 1rch s GLY 20 CO 0.30 1.30 0.12 -0.32 0.00 0.00 0.00 173.10 174.50 1rch s GLY 21 N -1.89 1.83 -0.26 0.20 0.00 0.19 -3.45 107.32 103.94 1rch s GLY 21 Ca 0.75 -1.33 -0.08 0.00 0.00 0.00 0.00 44.72 44.06 1rch s GLY 21 CO 0.39 0.64 0.10 -0.47 0.00 0.00 0.00 173.10 173.77 1rch s TYR 22 N 1.60 3.13 -0.15 1.90 6.14 -1.22 -2.40 117.35 126.34 1rch s TYR 22 Ca 0.05 -0.24 -0.05 0.00 0.64 0.00 0.00 57.07 57.47 1rch s TYR 22 Cb -0.17 -2.27 0.06 0.00 0.42 0.00 0.00 41.96 40.00 1rch s TYR 22 CO 0.05 -0.28 0.09 0.20 0.64 0.00 0.00 175.55 176.25 1rch s GLY 23 N 1.60 0.33 -0.30 8.97 0.00 0.72 -3.36 107.32 115.28 1rch s GLY 23 Ca 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 44.72 44.54 1rch s GLY 23 CO 0.06 1.69 0.21 0.00 0.00 0.00 0.00 173.10 175.06 1rch s ALA 24 N 2.15 0.24 -0.66 3.20 0.00 -0.45 0.88 121.76 127.11 1rch s ALA 24 Ca 0.02 -0.92 -0.26 0.00 0.00 0.00 0.00 51.96 50.80 1rch s ALA 24 Cb -0.15 -1.59 0.04 0.00 0.00 0.00 0.00 23.12 21.41 1rch s ALA 24 CO -0.08 -1.75 1.17 0.42 0.00 0.00 0.00 175.76 175.51 1rch s ILE 25 N 2.03 3.97 -0.62 0.00 -1.09 -0.47 -2.07 121.20 122.95 1rch s ILE 25 Ca 0.11 0.44 -0.14 0.00 -2.23 0.00 0.00 60.65 58.82 1rch s ILE 25 Cb -0.16 -4.78 0.16 0.00 -1.58 0.00 0.00 42.46 36.09 1rch s ILE 25 CO -0.29 -1.56 0.56 -0.22 -1.23 0.00 0.00 174.94 172.20 1rch s LEU 26 N 5.06 6.27 -0.59 2.97 0.20 -1.01 -2.50 118.68 129.08 1rch s LEU 26 Ca 0.35 -2.12 -0.21 0.00 0.69 0.00 0.00 54.13 52.84 1rch s LEU 26 Cb -0.10 -2.17 0.08 0.00 -0.43 0.00 0.00 46.19 43.57 1rch s LEU 26 CO 0.18 -0.73 0.79 -0.60 -0.29 0.00 0.00 176.35 175.69 1rch s ARG 27 N 1.07 3.12 0.50 1.98 3.00 -0.27 -1.68 118.95 126.66 1rch s ARG 27 Ca 0.08 -0.95 0.07 0.00 -1.00 0.00 0.00 55.73 53.94 1rch s ARG 27 Cb -0.23 -4.19 0.02 0.00 0.00 0.00 0.00 34.95 30.55 1rch s ARG 27 CO -0.01 -1.54 0.48 -0.47 0.00 0.00 0.00 175.30 173.75 1rch s TYR 28 N 3.23 2.05 -0.76 5.12 5.04 -0.98 -0.78 117.35 130.26 1rch s TYR 28 Ca 0.18 -0.67 -0.28 0.00 -2.44 0.00 0.00 57.07 53.86 1rch s TYR 28 Cb -0.19 -2.09 -0.15 0.00 0.35 0.00 0.00 41.96 39.87 1rch s TYR 28 CO 0.10 -0.47 2.56 2.89 -1.34 0.00 0.00 175.55 179.29 1rch n ARG 29 N -1.78 0.49 -2.82 4.97 1.85 -1.26 -0.95 116.66 117.17 1rch n ARG 29 Ca 0.04 -0.02 -0.16 0.00 -1.00 0.00 0.00 57.85 56.71 1rch n ARG 29 Cb 0.63 -2.43 -0.00 0.00 -1.05 0.00 0.00 32.46 29.60 1rch n ARG 29 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1rch n GLY 30 N 6.26 -0.50 2.75 2.89 0.00 -1.24 -4.87 105.19 110.48 1rch n GLY 30 Ca 0.52 0.04 -0.16 0.00 0.00 0.00 0.00 46.02 46.43 1rch n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rch s ARG 31 N -5.43 0.74 -0.46 1.61 1.81 -0.12 -5.10 118.95 112.00 1rch s ARG 31 Ca 0.16 -1.01 -0.29 0.00 -1.72 0.00 0.00 55.73 52.87 1rch s ARG 31 Cb -0.09 -0.68 0.02 0.00 -0.45 0.00 0.00 34.95 33.75 1rch s ARG 31 CO 0.20 -1.24 1.26 -1.21 -0.68 0.00 0.00 175.30 173.64 1rch s GLU 32 N 1.21 3.63 -0.10 3.54 8.01 -1.26 -2.31 118.70 131.42 1rch s GLU 32 Ca 0.20 0.69 0.03 0.00 0.01 0.00 0.00 54.97 55.90 1rch s GLU 32 Cb -0.11 -3.97 -0.01 0.00 -4.31 0.00 0.00 34.13 25.73 1rch s GLU 32 CO -0.05 -1.50 -0.19 0.15 0.01 0.00 0.00 175.26 173.68 1rch s LYS 33 N 4.73 3.05 0.04 1.61 1.02 -0.68 -5.00 119.74 124.51 1rch s LYS 33 Ca 0.53 -0.79 -0.07 0.00 0.02 0.00 0.00 55.97 55.66 1rch s LYS 33 Cb -0.10 -2.42 -0.05 0.00 -0.52 0.00 0.00 37.83 34.74 1rch s LYS 33 CO 0.32 0.27 0.31 0.99 -0.92 0.00 0.00 175.35 176.32 1rch s THR 34 N 0.16 5.24 -0.35 2.17 2.01 -1.26 -2.41 115.64 121.20 1rch s THR 34 Ca -0.10 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1rch s THR 34 Cb -0.16 -3.59 0.14 0.00 0.01 0.00 0.00 72.50 68.90 1rch s THR 34 CO 0.06 0.31 0.23 -0.36 -0.69 0.00 0.00 174.62 174.17 1rch s PHE 35 N -1.36 0.52 -0.45 4.92 0.40 -0.88 -4.98 117.98 116.15 1rch s PHE 35 Ca 0.30 -1.44 0.07 0.00 -0.60 0.00 0.00 56.93 55.26 1rch s PHE 35 Cb -0.13 -0.82 0.24 0.00 0.51 0.00 0.00 43.02 42.82 1rch s PHE 35 CO 0.18 -0.85 0.72 -1.13 0.70 0.00 0.00 175.22 174.83 1rch n SER 36 N 4.16 -1.58 -2.20 1.36 3.41 -1.26 -1.34 113.62 116.17 1rch n SER 36 Ca 0.11 -3.02 0.00 0.00 -0.26 0.00 0.00 58.87 55.70 1rch n SER 36 Cb 0.39 0.74 0.00 0.00 -0.26 0.00 0.00 64.21 65.08 1rch n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rch n ALA 37 N 1.61 0.00 -3.69 7.33 0.00 -1.26 -4.81 120.51 119.69 1rch n ALA 37 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 1rch n ALA 37 Cb 0.58 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.92 1rch n ALA 37 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rch s GLY 38 N -2.68 -0.28 0.49 0.00 0.00 -1.26 -3.39 107.32 100.20 1rch s GLY 38 Ca 0.00 1.38 0.07 0.00 0.00 0.00 0.00 44.72 46.17 1rch s GLY 38 CO 0.00 1.77 0.50 -0.19 0.00 0.00 0.00 173.10 175.17 1rch s TYR 39 N 1.69 2.07 -0.27 1.90 2.02 -1.25 -3.15 117.35 120.36 1rch s TYR 39 Ca -0.07 -0.65 -0.08 0.00 -0.37 0.00 0.00 57.07 55.90 1rch s TYR 39 Cb -0.10 -2.12 -0.14 0.00 -0.40 0.00 0.00 41.96 39.20 1rch s TYR 39 CO -0.12 -0.50 -0.27 2.41 -1.57 0.00 0.00 175.55 175.50 1rch n THR 40 N -1.80 1.52 -3.86 -0.71 -1.04 -1.01 -2.98 114.28 104.40 1rch n THR 40 Ca 0.05 -0.45 -0.30 0.00 -2.04 0.00 0.00 64.05 61.31 1rch n THR 40 Cb 0.62 -1.72 -0.14 0.00 -1.82 0.00 0.00 70.33 67.28 1rch n THR 40 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1rch s ARG 41 N -2.51 1.58 -0.22 -2.82 3.00 -1.24 -1.74 118.95 115.01 1rch s ARG 41 Ca -0.37 -2.19 -0.27 0.00 0.00 0.00 0.00 55.73 52.90 1rch s ARG 41 Cb 0.12 -2.87 0.09 0.00 0.00 0.00 0.00 34.95 32.29 1rch s ARG 41 CO 0.54 -1.09 0.80 -0.08 0.00 0.00 0.00 175.30 175.47 1rch s THR 42 N 0.24 0.00 0.82 0.02 -1.32 0.13 -4.60 115.64 110.93 1rch s THR 42 Ca 0.16 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.53 1rch s THR 42 Cb -0.24 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 69.87 1rch s THR 42 CO -0.03 0.00 1.16 0.42 -2.21 0.00 0.00 174.62 173.97 1rch s THR 43 N -0.12 2.09 0.15 5.08 -4.23 -1.26 -3.45 115.64 113.89 1rch s THR 43 Ca -0.02 -0.13 -0.09 0.00 -1.18 0.00 0.00 61.69 60.27 1rch s THR 43 Cb -0.04 -2.96 -0.08 0.00 1.34 0.00 0.00 72.50 70.77 1rch s THR 43 CO 0.01 0.00 1.43 -1.13 -0.54 0.00 0.00 174.62 174.40 1rch h ASN 44 N -1.07 0.87 0.17 3.99 -0.73 -1.84 -2.77 115.58 114.21 1rch h ASN 44 Ca -0.44 -0.47 -0.00 0.00 1.87 0.00 0.00 56.30 57.25 1rch h ASN 44 Cb 1.29 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 39.62 1rch h ASN 44 CO 0.53 1.25 -0.18 0.78 -0.37 0.00 0.00 177.43 179.44 1rch h ASN 45 N 0.60 -0.49 0.08 1.15 -0.26 -1.95 -2.78 115.58 111.93 1rch h ASN 45 Ca 0.01 0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.78 1rch h ASN 45 Cb 1.15 0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 38.57 1rch h ASN 45 CO 0.12 -0.23 -0.07 0.08 -1.06 0.00 0.00 177.43 176.27 1rch h ARG 46 N -0.35 0.00 0.23 0.81 0.11 -1.97 -2.37 114.38 110.84 1rch h ARG 46 Ca -0.02 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.05 1rch h ARG 46 Cb 0.30 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.37 1rch h ARG 46 CO -0.02 0.07 -0.31 0.52 0.10 0.00 0.00 179.97 180.32 1rch h MET 47 N 0.00 -0.54 -0.94 0.08 2.86 -1.28 -1.74 114.93 113.37 1rch h MET 47 Ca -0.00 0.04 0.13 0.00 -2.06 0.00 0.00 59.70 57.81 1rch h MET 47 Cb 0.13 0.12 -0.08 0.00 0.06 0.00 0.00 31.60 31.83 1rch h MET 47 CO 0.01 -0.36 0.60 0.93 1.06 0.00 0.00 176.91 179.15 1rch h GLU 48 N -0.56 0.80 0.03 1.72 5.08 -1.18 -1.76 114.58 118.71 1rch h GLU 48 Ca -0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1rch h GLU 48 Cb 0.51 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1rch h GLU 48 CO -0.09 0.53 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.29 1rch h LEU 49 N 0.82 -0.29 -1.95 1.33 3.38 -0.95 -2.32 115.31 115.33 1rch h LEU 49 Ca 0.47 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.45 1rch h LEU 49 Cb 0.62 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1rch h LEU 49 CO -0.23 -0.11 -0.10 0.00 0.09 0.00 0.00 178.44 178.09 1rch h MET 50 N -0.15 0.00 0.16 1.13 -0.00 -1.11 -1.69 114.93 113.28 1rch h MET 50 Ca -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 59.70 59.71 1rch h MET 50 Cb 0.14 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.70 1rch h MET 50 CO -0.05 0.10 -0.49 0.00 -0.00 0.00 0.00 176.91 176.47 1rch h ALA 51 N 1.90 -0.92 -0.22 -3.00 0.00 -0.84 0.67 119.26 116.84 1rch h ALA 51 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1rch h ALA 51 Cb 0.32 0.81 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1rch h ALA 51 CO 0.01 -1.08 0.09 0.00 0.00 0.00 0.00 179.25 178.27 1rch h ALA 52 N -0.44 0.29 0.58 0.00 0.00 -0.82 -2.33 119.26 116.55 1rch h ALA 52 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1rch h ALA 52 Cb 0.75 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1rch h ALA 52 CO -0.25 -0.11 -0.49 0.82 0.00 0.00 0.00 179.25 179.22 1rch h ILE 53 N 0.21 0.00 -0.01 0.00 2.04 -1.11 0.16 117.51 118.80 1rch h ILE 53 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1rch h ILE 53 Cb 0.18 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1rch h ILE 53 CO -0.01 0.00 0.01 0.58 0.00 0.00 0.00 178.15 178.74 1rch h VAL 54 N -1.04 0.66 0.21 1.67 2.07 0.35 1.03 116.25 121.19 1rch h VAL 54 Ca -0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1rch h VAL 54 Cb 0.88 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1rch h VAL 54 CO -0.01 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.49 1rch h ALA 55 N 1.99 -0.28 -0.40 1.67 0.00 -0.83 0.93 119.26 122.34 1rch h ALA 55 Ca 0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1rch h ALA 55 Cb 0.03 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1rch h ALA 55 CO -0.00 -0.50 0.24 -0.07 0.00 0.00 0.00 179.25 178.92 1rch h LEU 56 N -0.58 0.47 0.05 0.00 3.38 0.34 -0.76 115.31 118.21 1rch h LEU 56 Ca -0.03 -0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.68 1rch h LEU 56 Cb 0.43 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1rch h LEU 56 CO 0.05 0.36 -1.12 -0.08 0.09 0.00 0.00 178.44 177.73 1rch h GLU 57 N 0.54 0.11 -0.82 1.13 4.22 0.73 -3.34 114.58 117.16 1rch h GLU 57 Ca 0.14 -0.19 0.05 0.00 0.08 0.00 0.00 59.36 59.44 1rch h GLU 57 Cb -0.03 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1rch h GLU 57 CO -0.03 1.08 0.51 0.00 -2.18 0.00 0.00 179.01 178.39 1rch h ALA 58 N 0.83 1.10 -2.93 2.92 0.00 0.24 -3.41 119.26 118.00 1rch h ALA 58 Ca -0.07 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1rch h ALA 58 Cb 1.86 -0.24 0.04 0.00 0.00 0.00 0.00 17.79 19.44 1rch h ALA 58 CO 0.16 0.29 -0.03 1.47 0.00 0.00 0.00 179.25 181.13 1rch n LEU 59 N -4.62 0.00 -1.24 0.00 -0.00 -1.09 -5.00 117.00 105.06 1rch n LEU 59 Ca 0.11 -0.16 -0.06 0.00 -0.00 0.00 0.00 56.01 55.90 1rch n LEU 59 Cb 0.13 -0.20 -0.04 0.00 -0.00 0.00 0.00 43.42 43.31 1rch n LEU 59 CO 0.32 -1.71 0.36 1.17 -0.00 0.00 0.00 177.39 177.53 1rch n LYS 60 N -2.35 0.17 -3.32 1.47 4.81 -1.26 -5.06 118.16 112.63 1rch n LYS 60 Ca 0.03 -1.11 -0.02 0.00 -0.87 0.00 0.00 58.31 56.33 1rch n LYS 60 Cb 0.11 0.44 -0.05 0.00 0.02 0.00 0.00 35.03 35.56 1rch n LYS 60 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1rch s GLU 61 N -0.02 0.47 -1.03 1.64 2.02 -1.26 -5.07 118.70 115.45 1rch s GLU 61 Ca 0.03 0.88 -0.25 0.00 0.02 0.00 0.00 54.97 55.66 1rch s GLU 61 Cb 0.08 0.19 -0.13 0.00 0.10 0.00 0.00 34.13 34.37 1rch s GLU 61 CO -0.03 -0.55 2.07 -1.01 0.02 0.00 0.00 175.26 175.76 1rch s HIS 62 N 2.73 1.56 0.09 1.61 3.76 -1.26 -4.80 115.29 118.98 1rch s HIS 62 Ca 0.13 1.31 -0.03 0.00 -0.15 0.00 0.00 55.06 56.32 1rch s HIS 62 Cb -0.15 -3.71 -0.03 0.00 1.11 0.00 0.00 32.58 29.80 1rch s HIS 62 CO -0.18 -1.23 0.06 0.00 -0.85 0.00 0.00 174.74 172.54 1rch n GLU 64 N -0.01 0.91 -4.12 0.00 0.00 -1.26 -4.64 120.64 111.52 1rch n GLU 64 Ca -0.11 0.33 -0.19 0.00 0.00 0.00 0.00 57.16 57.19 1rch n GLU 64 Cb 0.62 -1.92 -0.16 0.00 0.00 0.00 0.00 31.44 29.98 1rch n GLU 64 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1rch s VAL 65 N 0.30 0.44 -0.01 6.31 1.01 -1.10 -4.10 120.40 123.25 1rch s VAL 65 Ca 0.84 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.69 1rch s VAL 65 Cb -1.00 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1rch s VAL 65 CO 0.49 0.19 0.20 -0.51 0.00 0.00 0.00 175.10 175.48 1rch s ILE 66 N 0.78 5.41 -0.41 2.22 2.07 -0.55 -2.75 121.20 127.97 1rch s ILE 66 Ca -0.10 -0.07 0.01 0.00 -1.41 0.00 0.00 60.65 59.09 1rch s ILE 66 Cb -0.13 -3.54 0.13 0.00 0.13 0.00 0.00 42.46 39.06 1rch s ILE 66 CO -0.00 0.35 0.22 -0.22 -1.91 0.00 0.00 174.94 173.37 1rch s LEU 67 N -1.85 2.34 -0.59 8.50 0.20 -1.01 -0.34 118.68 125.93 1rch s LEU 67 Ca 0.27 -2.44 -0.28 0.00 0.69 0.00 0.00 54.13 52.37 1rch s LEU 67 Cb -0.13 -0.90 0.03 0.00 -0.43 0.00 0.00 46.19 44.76 1rch s LEU 67 CO 0.17 -0.29 1.17 -0.44 -0.29 0.00 0.00 176.35 176.67 1rch s SER 68 N 0.61 6.40 0.20 3.68 0.01 -0.40 -1.75 113.70 122.46 1rch s SER 68 Ca 0.17 -0.02 -0.04 0.00 1.31 0.00 0.00 55.95 57.38 1rch s SER 68 Cb -0.24 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.42 1rch s SER 68 CO -0.02 -1.48 0.20 -0.89 0.41 0.00 0.00 173.24 171.46 1rch s THR 69 N 4.89 0.01 -0.36 1.44 2.01 -1.03 -1.75 115.64 120.85 1rch s THR 69 Ca 0.40 -1.86 0.13 0.00 0.31 0.00 0.00 61.69 60.67 1rch s THR 69 Cb -0.08 -2.40 0.42 0.00 0.01 0.00 0.00 72.50 70.45 1rch s THR 69 CO 0.23 -0.04 1.31 -0.90 -0.69 0.00 0.00 174.62 174.54 1rch n ASP 70 N -0.28 -0.90 -4.89 3.53 5.68 -1.26 -2.47 116.55 115.96 1rch n ASP 70 Ca 0.01 -2.42 -0.33 0.00 -0.50 0.00 0.00 54.79 51.55 1rch n ASP 70 Cb 0.65 0.53 -0.05 0.00 -1.14 0.00 0.00 41.12 41.11 1rch n ASP 70 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1rch s SER 71 N -1.76 6.27 0.09 -1.12 0.15 -1.26 -5.00 113.70 111.07 1rch s SER 71 Ca 0.20 0.31 -0.03 0.00 0.70 0.00 0.00 55.95 57.14 1rch s SER 71 Cb 0.42 -1.94 -0.26 0.00 -1.71 0.00 0.00 66.02 62.53 1rch s SER 71 CO -0.07 0.25 1.17 -0.61 1.20 0.00 0.00 173.24 175.19 1rch h GLN 72 N 3.75 0.24 -0.09 5.44 5.75 -2.00 -2.55 115.11 125.65 1rch h GLN 72 Ca -0.48 -0.40 -0.04 0.00 -0.15 0.00 0.00 58.65 57.58 1rch h GLN 72 Cb 1.18 0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.88 1rch h GLN 72 CO 0.69 1.18 -0.12 -0.92 -2.65 0.00 0.00 178.83 177.01 1rch h TYR 73 N 0.07 0.29 0.41 3.99 3.20 -1.96 -1.92 116.97 121.04 1rch h TYR 73 Ca -0.11 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.64 1rch h TYR 73 Cb 1.91 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 40.13 1rch h TYR 73 CO 0.05 0.70 -0.20 0.28 -1.64 0.00 0.00 178.16 177.36 1rch h VAL 74 N -0.20 0.38 -0.73 1.81 2.07 -1.95 0.53 116.25 118.15 1rch h VAL 74 Ca 0.01 -0.62 0.16 0.00 0.82 0.00 0.00 66.70 67.08 1rch h VAL 74 Cb 0.66 0.57 -0.13 0.00 -1.52 0.00 0.00 31.29 30.88 1rch h VAL 74 CO 0.03 0.08 0.02 -0.09 0.02 0.00 0.00 177.57 177.63 1rch h ARG 75 N -0.99 0.12 0.27 1.57 2.43 -1.55 0.67 114.38 116.89 1rch h ARG 75 Ca -0.06 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1rch h ARG 75 Cb 0.54 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1rch h ARG 75 CO 0.09 0.08 -0.13 1.96 -1.51 0.00 0.00 179.97 180.46 1rch h GLN 76 N 0.12 -0.34 -0.98 0.20 4.20 -1.39 -2.03 115.11 114.89 1rch h GLN 76 Ca 0.40 0.02 0.25 0.00 0.06 0.00 0.00 58.65 59.39 1rch h GLN 76 Cb 0.70 0.08 -0.13 0.00 0.30 0.00 0.00 27.48 28.43 1rch h GLN 76 CO -0.63 -0.04 0.54 0.78 -0.67 0.00 0.00 178.83 178.81 1rch h GLY 77 N -0.98 1.84 0.00 3.46 0.00 0.94 0.32 103.07 108.65 1rch h GLY 77 Ca -0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1rch h GLY 77 CO 0.06 -0.29 -0.00 -2.22 0.00 0.00 0.00 176.54 174.09 1rch h ILE 78 N 0.49 0.00 -0.69 2.60 2.04 0.24 0.70 117.51 122.89 1rch h ILE 78 Ca 0.64 -0.05 -0.45 0.00 1.00 0.00 0.00 64.86 66.00 1rch h ILE 78 Cb 1.26 0.00 -0.20 0.00 -0.74 0.00 0.00 36.82 37.14 1rch h ILE 78 CO -0.51 0.00 0.58 0.35 0.00 0.00 0.00 178.15 178.56 1rch n THR 79 N -2.15 3.01 0.00 -0.27 -2.24 -0.76 -2.72 114.28 109.15 1rch n THR 79 Ca -0.00 -2.01 0.00 0.00 -2.27 0.00 0.00 64.05 59.77 1rch n THR 79 Cb 0.00 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 1rch n THR 79 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1rch n GLN 80 N -0.26 0.00 -0.08 -0.78 7.27 -0.03 -4.90 117.38 118.61 1rch n GLN 80 Ca 0.43 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.43 1rch n GLN 80 Cb 0.75 -0.01 -0.03 0.00 2.41 0.00 0.00 30.24 33.36 1rch n GLN 80 CO 0.00 0.00 0.00 0.91 0.07 0.00 0.00 177.06 178.04 1rch n TRP 81 N -2.31 0.92 -0.14 3.69 8.01 -0.40 -4.20 117.44 123.02 1rch n TRP 81 Ca 0.00 0.40 0.09 0.00 -1.31 0.00 0.00 57.50 56.68 1rch n TRP 81 Cb 0.00 -0.81 0.42 0.00 -2.01 0.00 0.00 31.31 28.91 1rch n TRP 81 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.69 177.50 1rch h ILE 82 N -1.00 0.96 -0.93 -0.99 2.04 0.62 0.83 117.51 119.05 1rch h ILE 82 Ca -0.04 -0.21 0.06 0.00 1.00 0.00 0.00 64.86 65.67 1rch h ILE 82 Cb 0.62 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 1rch h ILE 82 CO -0.03 0.11 0.60 -0.74 0.00 0.00 0.00 178.15 178.10 1rch h HIS 83 N 0.61 1.09 0.11 1.37 2.76 -1.76 0.22 115.15 119.54 1rch h HIS 83 Ca 0.30 0.03 -0.26 0.00 -2.20 0.00 0.00 60.37 58.24 1rch h HIS 83 Cb 0.38 -0.36 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 1rch h HIS 83 CO -0.00 0.58 -1.31 -0.91 -1.30 0.00 0.00 177.93 174.99 1rch h ASN 84 N 1.08 0.35 -0.37 3.26 4.21 0.21 -3.16 115.58 121.16 1rch h ASN 84 Ca 0.39 -0.85 0.02 0.00 1.21 0.00 0.00 56.30 57.07 1rch h ASN 84 Cb 0.15 -0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 37.21 1rch h ASN 84 CO -0.14 1.57 0.21 -0.50 -1.29 0.00 0.00 177.43 177.28 1rch h TRP 85 N -0.37 0.39 0.67 1.19 6.55 0.21 0.58 115.95 125.17 1rch h TRP 85 Ca -0.28 0.01 -0.03 0.00 0.95 0.00 0.00 58.89 59.54 1rch h TRP 85 Cb 1.70 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 29.87 1rch h TRP 85 CO 0.13 0.22 -0.46 -0.22 -1.05 0.00 0.00 178.44 177.07 1rch h LYS 86 N 0.42 -1.03 -0.64 0.49 3.64 -0.71 0.66 116.57 119.40 1rch h LYS 86 Ca 0.15 0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.67 1rch h LYS 86 Cb 0.02 0.24 -0.06 0.00 -0.41 0.00 0.00 32.23 32.01 1rch h LYS 86 CO -0.08 -0.69 0.33 -0.22 -2.27 0.00 0.00 179.45 176.52 1rch h LYS 87 N -1.07 0.58 -0.94 1.90 3.64 -1.47 0.47 116.57 119.68 1rch h LYS 87 Ca -0.09 -0.03 0.27 0.00 -1.27 0.00 0.00 60.65 59.52 1rch h LYS 87 Cb 0.88 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.52 1rch h LYS 87 CO 0.06 0.38 0.67 0.00 -2.27 0.00 0.00 179.45 178.29 1rch h ARG 88 N 0.59 0.04 0.00 1.90 2.47 0.47 -3.44 114.38 116.40 1rch h ARG 88 Ca 0.30 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 1rch h ARG 88 Cb 0.25 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1rch h ARG 88 CO -0.21 0.02 0.00 0.41 0.56 0.00 0.00 179.97 180.75 1rch n GLY 89 N -1.70 1.15 3.59 0.04 0.00 0.16 -4.59 105.19 103.85 1rch n GLY 89 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 1rch n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1rch n TRP 90 N -0.07 -2.25 -3.87 1.61 5.03 0.22 -4.98 117.44 113.13 1rch n TRP 90 Ca 0.00 0.92 -0.12 0.00 3.03 0.00 0.00 57.50 61.34 1rch n TRP 90 Cb 0.00 -4.76 -0.12 0.00 -1.03 0.00 0.00 31.31 25.39 1rch n TRP 90 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1rch s LYS 91 N -5.85 0.19 -0.12 -0.99 1.02 -1.14 -4.52 119.74 108.31 1rch s LYS 91 Ca 0.18 -0.07 0.06 0.00 0.02 0.00 0.00 55.97 56.16 1rch s LYS 91 Cb -0.08 0.08 -0.24 0.00 -0.52 0.00 0.00 37.83 37.07 1rch s LYS 91 CO 0.76 -0.03 0.34 0.25 -0.92 0.00 0.00 175.35 175.75 1rch n THR 92 N 2.59 1.61 -3.28 2.17 -2.24 -1.25 -4.61 114.28 109.27 1rch n THR 92 Ca -0.16 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1rch n THR 92 Cb 0.58 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 1rch n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rch n ALA 93 N -2.83 0.00 -1.99 6.98 0.00 -1.26 -5.05 120.51 116.36 1rch n ALA 93 Ca -0.28 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 52.90 1rch n ALA 93 Cb 1.06 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.46 1rch n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rch s ASP 94 N 0.40 4.99 -0.75 0.00 1.01 -1.26 -3.43 116.67 117.63 1rch s ASP 94 Ca 0.00 -0.59 -0.04 0.00 0.71 0.00 0.00 52.55 52.63 1rch s ASP 94 Cb 0.00 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1rch s ASP 94 CO 0.00 -2.89 0.65 1.17 0.21 0.00 0.00 175.17 174.31 1rch n LYS 95 N 8.85 -1.91 -4.18 8.23 4.81 -1.26 -5.05 118.16 127.66 1rch n LYS 95 Ca 0.41 0.61 -0.14 0.00 -0.87 0.00 0.00 58.31 58.32 1rch n LYS 95 Cb 0.46 -4.57 -0.11 0.00 0.02 0.00 0.00 35.03 30.84 1rch n LYS 95 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1rch s LYS 96 N -4.08 0.84 0.94 1.64 1.02 -1.22 -5.10 119.74 113.79 1rch s LYS 96 Ca 0.29 -1.17 -0.13 0.00 0.02 0.00 0.00 55.97 54.97 1rch s LYS 96 Cb -0.04 -0.50 0.16 0.00 -0.52 0.00 0.00 37.83 36.93 1rch s LYS 96 CO 0.52 0.07 1.15 -1.25 -0.92 0.00 0.00 175.35 174.92 1rch s PRO 97 N -2.89 0.88 0.04 -1.68 0.04 -1.26 -3.82 135.00 126.32 1rch s PRO 97 Ca 0.06 0.19 -0.00 0.00 0.04 0.00 0.00 61.00 61.28 1rch s PRO 97 Cb -0.02 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 1rch s PRO 97 CO -0.00 -2.35 0.20 0.08 0.04 0.00 0.00 177.00 174.96 1rch s VAL 98 N -3.32 5.36 -0.02 -0.36 1.01 -1.26 -4.37 120.40 117.43 1rch s VAL 98 Ca 0.65 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 1rch s VAL 98 Cb -0.13 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1rch s VAL 98 CO 0.53 0.18 1.30 -0.75 0.00 0.00 0.00 175.10 176.37 1rch s LYS 99 N -2.36 4.32 -1.17 2.72 2.47 -1.26 -2.96 119.74 121.50 1rch s LYS 99 Ca 0.33 1.83 -0.02 0.00 -1.56 0.00 0.00 55.97 56.54 1rch s LYS 99 Cb -0.13 -3.56 -0.02 0.00 -1.46 0.00 0.00 37.83 32.66 1rch s LYS 99 CO 0.25 -0.51 0.93 -1.71 0.16 0.00 0.00 175.35 174.48 1rch n ASN 100 N 5.25 -3.42 -0.05 1.43 5.15 -1.26 -4.91 115.26 117.46 1rch n ASN 100 Ca 0.12 -0.68 -0.12 0.00 -0.60 0.00 0.00 54.58 53.29 1rch n ASN 100 Cb 0.45 -4.97 0.00 0.00 -0.53 0.00 0.00 39.78 34.73 1rch n ASN 100 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 1rch h VAL 101 N -1.65 1.29 0.53 3.44 3.04 -1.96 -2.49 116.25 118.44 1rch h VAL 101 Ca -0.60 -1.74 -0.02 0.00 -1.01 0.00 0.00 66.70 63.33 1rch h VAL 101 Cb 1.33 1.66 -0.00 0.00 -2.01 0.00 0.00 31.29 32.27 1rch h VAL 101 CO 0.49 0.56 -0.32 -2.24 -1.01 0.00 0.00 177.57 175.05 1rch h ASP 102 N 0.58 -0.79 -0.79 3.17 2.03 -1.90 0.67 116.42 119.39 1rch h ASP 102 Ca 0.02 0.04 -0.04 0.00 -0.73 0.00 0.00 57.03 56.32 1rch h ASP 102 Cb 1.11 0.23 -0.04 0.00 -0.83 0.00 0.00 39.33 39.81 1rch h ASP 102 CO 0.11 -0.50 0.33 -0.07 -1.03 0.00 0.00 179.24 178.08 1rch h LEU 103 N -0.80 1.08 -0.15 0.15 3.38 -1.96 -1.93 115.31 115.09 1rch h LEU 103 Ca -0.06 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1rch h LEU 103 Cb 0.65 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1rch h LEU 103 CO 0.07 0.95 0.06 -0.50 0.09 0.00 0.00 178.44 179.11 1rch h TRP 104 N 1.14 0.12 -0.91 1.13 -0.00 -1.04 -2.07 115.95 114.32 1rch h TRP 104 Ca 0.27 0.01 0.14 0.00 -0.00 0.00 0.00 58.89 59.30 1rch h TRP 104 Cb 0.20 -0.03 -0.09 0.00 -0.00 0.00 0.00 29.16 29.23 1rch h TRP 104 CO 0.02 0.07 0.52 1.96 -0.00 0.00 0.00 178.44 181.00 1rch h GLN 105 N 0.14 0.73 -0.41 0.49 1.08 0.11 0.72 115.11 117.97 1rch h GLN 105 Ca 0.06 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1rch h GLN 105 Cb 0.02 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.26 1rch h GLN 105 CO -0.05 0.49 0.15 0.00 -0.95 0.00 0.00 178.83 178.47 1rch h ARG 106 N 0.76 0.59 0.86 1.46 3.08 -0.87 0.84 114.38 121.09 1rch h ARG 106 Ca 0.48 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.42 1rch h ARG 106 Cb 0.63 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1rch h ARG 106 CO -0.33 0.50 -0.47 1.25 -1.07 0.00 0.00 179.97 179.85 1rch h LEU 107 N 0.59 -1.16 -0.20 3.04 7.12 0.10 -0.13 115.31 124.67 1rch h LEU 107 Ca 0.14 0.05 -0.03 0.00 0.13 0.00 0.00 57.88 58.18 1rch h LEU 107 Cb 0.14 0.32 -0.01 0.00 -0.53 0.00 0.00 40.66 40.58 1rch h LEU 107 CO -0.01 -0.76 0.01 -0.78 -0.13 0.00 0.00 178.44 176.77 1rch h ASP 108 N -1.23 0.34 -0.61 1.25 3.58 -0.40 0.66 116.42 120.01 1rch h ASP 108 Ca -0.12 -0.30 0.09 0.00 0.42 0.00 0.00 57.03 57.12 1rch h ASP 108 Cb 0.97 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.89 1rch h ASP 108 CO 0.15 0.56 0.41 0.00 -2.88 0.00 0.00 179.24 177.48 1rch h ALA 109 N 0.80 1.94 0.00 -0.78 0.00 0.61 0.36 119.26 122.19 1rch h ALA 109 Ca 0.06 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 1rch h ALA 109 Cb 0.38 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.07 1rch h ALA 109 CO 0.01 -0.06 -0.97 0.00 0.00 0.00 0.00 179.25 178.22 1rch h ALA 110 N 1.68 0.30 -0.54 0.00 0.00 0.17 -3.04 119.26 117.82 1rch h ALA 110 Ca 0.28 -0.71 0.11 0.00 0.00 0.00 0.00 54.91 54.59 1rch h ALA 110 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1rch h ALA 110 CO -0.08 0.78 0.37 -0.07 0.00 0.00 0.00 179.25 180.25 1rch h LEU 111 N 0.27 0.23 -4.94 0.00 3.38 0.24 -2.82 115.31 111.68 1rch h LEU 111 Ca -0.09 0.01 -0.62 0.00 0.09 0.00 0.00 57.88 57.26 1rch h LEU 111 Cb 1.62 -0.04 -0.20 0.00 0.09 0.00 0.00 40.66 42.12 1rch h LEU 111 CO 0.18 0.14 0.90 0.61 0.09 0.00 0.00 178.44 180.35 1rch n GLY 112 N -1.56 4.90 2.00 0.83 0.00 -0.64 -3.94 105.19 106.78 1rch n GLY 112 Ca 0.09 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1rch n GLY 112 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rch n GLN 113 N 0.58 0.00 -4.13 1.61 1.13 -1.06 -5.02 117.38 110.49 1rch n GLN 113 Ca 0.52 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 55.34 1rch n GLN 113 Cb 0.41 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.70 1rch n GLN 113 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 1rch n HIS 114 N -2.81 0.52 -2.98 1.08 1.44 -1.25 -4.76 115.22 106.46 1rch n HIS 114 Ca 0.00 -2.16 -0.43 0.00 -2.01 0.00 0.00 57.72 53.12 1rch n HIS 114 Cb 0.00 -0.13 -0.05 0.00 0.12 0.00 0.00 29.99 29.92 1rch n HIS 114 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 1rch s GLN 115 N -3.42 3.27 -0.87 -1.40 2.00 -1.26 -4.85 119.66 113.13 1rch s GLN 115 Ca 0.09 -0.46 -0.20 0.00 -2.00 0.00 0.00 55.36 52.79 1rch s GLN 115 Cb 0.00 -4.04 0.10 0.00 0.80 0.00 0.00 33.01 29.87 1rch s GLN 115 CO 0.07 -1.31 1.12 0.42 -0.50 0.00 0.00 175.29 175.09 1rch s ILE 116 N 3.34 4.51 -0.54 -2.34 1.09 -1.25 -2.70 121.20 123.31 1rch s ILE 116 Ca 0.25 -1.13 -0.26 0.00 -1.10 0.00 0.00 60.65 58.41 1rch s ILE 116 Cb -0.15 -4.79 0.03 0.00 -1.06 0.00 0.00 42.46 36.50 1rch s ILE 116 CO 0.17 -1.55 1.03 -1.59 -0.10 0.00 0.00 174.94 172.90 1rch s LYS 117 N 3.36 3.45 -0.76 2.79 -2.85 -1.11 -4.92 119.74 119.70 1rch s LYS 117 Ca 0.31 0.02 -0.24 0.00 -1.00 0.00 0.00 55.97 55.06 1rch s LYS 117 Cb -0.08 -4.01 0.06 0.00 -2.06 0.00 0.00 37.83 31.74 1rch s LYS 117 CO -0.04 -1.49 1.16 -1.58 0.10 0.00 0.00 175.35 173.50 1rch s TRP 118 N 4.26 2.54 -0.68 1.78 0.52 -1.26 -2.40 118.94 123.70 1rch s TRP 118 Ca 0.36 -0.47 -0.27 0.00 0.02 0.00 0.00 56.10 55.74 1rch s TRP 118 Cb -0.10 -4.47 0.03 0.00 -1.15 0.00 0.00 33.47 27.77 1rch s TRP 118 CO 0.23 -1.84 1.25 -2.00 0.02 0.00 0.00 176.95 174.61 1rch s GLU 119 N 4.70 3.31 -0.46 4.98 2.56 -0.72 -4.97 118.70 128.11 1rch s GLU 119 Ca 0.31 -0.04 -0.26 0.00 0.00 0.00 0.00 54.97 54.98 1rch s GLU 119 Cb -0.10 -4.12 0.03 0.00 2.00 0.00 0.00 34.13 31.94 1rch s GLU 119 CO 0.08 -1.97 0.94 -1.58 -0.56 0.00 0.00 175.26 172.17 1rch s TRP 120 N 5.45 2.91 0.14 5.30 0.52 -1.26 -2.47 118.94 129.54 1rch s TRP 120 Ca 0.38 0.40 0.02 0.00 0.02 0.00 0.00 56.10 56.93 1rch s TRP 120 Cb -0.08 -4.00 -0.04 0.00 -1.15 0.00 0.00 33.47 28.20 1rch s TRP 120 CO 0.19 -1.11 0.26 0.14 0.02 0.00 0.00 176.95 176.45 1rch s VAL 121 N 3.80 5.25 -0.46 4.03 -7.23 -1.03 -4.98 120.40 119.79 1rch s VAL 121 Ca 0.38 -0.70 0.07 0.00 -1.81 0.00 0.00 61.98 59.92 1rch s VAL 121 Cb -0.10 -3.69 0.27 0.00 0.56 0.00 0.00 36.38 33.42 1rch s VAL 121 CO 0.27 -0.07 0.87 1.17 -0.31 0.00 0.00 175.10 177.02 1rch n LYS 122 N -0.45 0.83 0.00 4.82 4.81 -1.26 -4.64 118.16 122.27 1rch n LYS 122 Ca -0.07 -2.13 0.00 0.00 -0.87 0.00 0.00 58.31 55.24 1rch n LYS 122 Cb 0.54 -1.35 0.00 0.00 0.02 0.00 0.00 35.03 34.24 1rch n LYS 122 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rch n GLY 123 N 1.24 1.95 0.24 3.14 0.00 -1.26 -4.64 105.19 105.86 1rch n GLY 123 Ca 0.11 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 1rch n GLY 123 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1rch h HIS 124 N 0.00 -0.52 -1.07 1.61 6.17 -1.99 -2.51 115.15 116.84 1rch h HIS 124 Ca 0.00 0.01 -0.65 0.00 0.71 0.00 0.00 60.37 60.43 1rch h HIS 124 Cb 0.00 0.21 -0.14 0.00 2.52 0.00 0.00 27.41 30.00 1rch h HIS 124 CO 0.00 -0.29 1.76 0.00 0.71 0.00 0.00 177.93 180.11 1rch n ALA 125 N -2.46 6.71 -2.88 5.26 0.00 -1.26 -4.94 120.51 120.94 1rch n ALA 125 Ca -0.07 -3.70 -0.24 0.00 0.00 0.00 0.00 53.44 49.43 1rch n ALA 125 Cb 0.24 -2.58 -0.02 0.00 0.00 0.00 0.00 19.45 17.08 1rch n ALA 125 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rch s GLY 126 N 0.45 1.45 0.27 0.00 0.00 -0.95 -4.65 107.32 103.89 1rch s GLY 126 Ca 0.56 -1.07 -0.18 0.00 0.00 0.00 0.00 44.72 44.04 1rch s GLY 126 CO -0.13 -1.06 0.64 0.30 0.00 0.00 0.00 173.10 172.85 1rch s HIS 127 N -1.95 0.02 0.21 1.90 3.76 -1.26 -5.05 115.29 112.92 1rch s HIS 127 Ca 0.36 -0.45 0.07 0.00 -0.15 0.00 0.00 55.06 54.88 1rch s HIS 127 Cb -0.10 0.53 0.12 0.00 1.11 0.00 0.00 32.58 34.24 1rch s HIS 127 CO 0.30 -1.17 1.47 -1.00 -0.85 0.00 0.00 174.74 173.49 1rch h PRO 128 N 2.09 0.08 -0.56 8.40 0.13 -2.00 -3.14 132.00 137.00 1rch h PRO 128 Ca -0.22 -0.08 0.04 0.00 -0.87 0.00 0.00 66.00 64.88 1rch h PRO 128 Cb 1.25 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 1rch h PRO 128 CO 0.28 0.81 0.30 0.93 -0.23 0.00 0.00 178.00 180.09 1rch h GLU 129 N 0.05 0.57 -0.69 0.86 3.07 -1.99 -0.88 114.58 115.56 1rch h GLU 129 Ca -0.02 -0.03 0.09 0.00 -0.50 0.00 0.00 59.36 58.90 1rch h GLU 129 Cb 1.35 -0.13 -0.07 0.00 -0.84 0.00 0.00 28.75 29.06 1rch h GLU 129 CO 0.11 0.38 0.33 -0.97 -1.40 0.00 0.00 179.01 177.45 1rch h ASN 130 N 0.58 0.41 -0.91 1.42 -0.73 -1.95 0.87 115.58 115.27 1rch h ASN 130 Ca 0.24 0.06 0.10 0.00 1.87 0.00 0.00 56.30 58.58 1rch h ASN 130 Cb 0.12 -0.00 -0.07 0.00 0.27 0.00 0.00 38.32 38.65 1rch h ASN 130 CO -0.15 0.23 0.59 -0.08 -0.37 0.00 0.00 177.43 177.65 1rch h GLU 131 N 0.56 0.90 -0.26 6.67 4.22 -1.18 0.82 114.58 126.31 1rch h GLU 131 Ca 0.34 -0.05 -0.11 0.00 0.08 0.00 0.00 59.36 59.62 1rch h GLU 131 Cb 0.37 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1rch h GLU 131 CO -0.28 0.59 -0.29 -0.09 -2.18 0.00 0.00 179.01 176.77 1rch h ARG 132 N 0.92 0.51 0.07 1.92 9.65 -0.00 -1.11 114.38 126.34 1rch h ARG 132 Ca 0.42 -0.21 -0.00 0.00 -1.10 0.00 0.00 59.98 59.09 1rch h ARG 132 Cb 0.40 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1rch h ARG 132 CO -0.19 0.75 -0.03 0.00 2.80 0.00 0.00 179.97 183.30 1rch h ASP 134 N -0.19 0.27 -0.83 0.00 3.58 -1.29 -1.07 116.42 116.90 1rch h ASP 134 Ca -0.01 -0.44 0.10 0.00 0.42 0.00 0.00 57.03 57.10 1rch h ASP 134 Cb 0.16 -0.08 -0.08 0.00 1.72 0.00 0.00 39.33 41.06 1rch h ASP 134 CO 0.02 0.65 0.47 -0.33 -2.88 0.00 0.00 179.24 177.17 1rch h GLU 135 N -0.11 0.75 -0.43 0.28 5.08 -1.13 0.70 114.58 119.73 1rch h GLU 135 Ca 0.02 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 1rch h GLU 135 Cb 0.56 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1rch h GLU 135 CO 0.02 0.50 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.22 1rch h LEU 136 N 0.77 0.92 0.48 1.33 3.38 -0.94 -1.33 115.31 119.92 1rch h LEU 136 Ca 0.41 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1rch h LEU 136 Cb 0.41 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1rch h LEU 136 CO -0.26 1.11 -0.23 0.00 0.09 0.00 0.00 178.44 179.15 1rch h ALA 137 N 0.95 -0.86 -0.65 1.53 0.00 0.49 -1.60 119.26 119.11 1rch h ALA 137 Ca 0.10 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1rch h ALA 137 Cb 0.79 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1rch h ALA 137 CO 0.07 -0.82 0.44 0.07 0.00 0.00 0.00 179.25 179.01 1rch h ARG 138 N -0.85 0.46 -0.36 0.00 -0.00 0.21 0.75 114.38 114.61 1rch h ARG 138 Ca -0.07 -0.03 -0.12 0.00 -0.00 0.00 0.00 59.98 59.76 1rch h ARG 138 Cb 0.49 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.97 30.34 1rch h ARG 138 CO 0.11 0.31 -0.27 0.00 -0.00 0.00 0.00 179.97 180.11 1rch h ALA 139 N 1.67 0.85 -0.05 0.08 0.00 -1.22 -1.31 119.26 119.28 1rch h ALA 139 Ca 0.30 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 1rch h ALA 139 Cb 0.55 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1rch h ALA 139 CO -0.09 0.64 -0.76 0.00 0.00 0.00 0.00 179.25 179.04 1rch h ALA 140 N 1.06 0.61 -0.82 0.00 0.00 0.18 -3.13 119.26 117.15 1rch h ALA 140 Ca 0.08 -0.63 0.08 0.00 0.00 0.00 0.00 54.91 54.44 1rch h ALA 140 Cb 0.79 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 1rch h ALA 140 CO 0.07 0.80 0.48 0.00 0.00 0.00 0.00 179.25 180.60 1rch h ALA 141 N 0.99 1.15 -0.90 0.00 0.00 0.12 0.14 119.26 120.76 1rch h ALA 141 Ca -0.03 0.01 -0.54 0.00 0.00 0.00 0.00 54.91 54.36 1rch h ALA 141 Cb 1.33 -0.17 -0.27 0.00 0.00 0.00 0.00 17.79 18.68 1rch h ALA 141 CO 0.12 0.16 0.69 0.00 0.00 0.00 0.00 179.25 180.22 1rch n MET 142 N -4.70 2.32 -2.79 0.00 0.00 -0.57 -4.45 117.12 106.92 1rch n MET 142 Ca 0.13 -2.82 -0.04 0.00 0.00 0.00 0.00 57.70 54.97 1rch n MET 142 Cb 0.23 -2.11 0.01 0.00 0.00 0.00 0.00 33.22 31.35 1rch n MET 142 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1rch s ASN 143 N -1.25 -1.37 0.99 3.17 0.02 0.48 -5.02 114.94 111.96 1rch s ASN 143 Ca 0.55 -1.56 -0.15 0.00 -1.02 0.00 0.00 52.86 50.68 1rch s ASN 143 Cb 0.44 1.79 0.18 0.00 0.02 0.00 0.00 41.25 43.69 1rch s ASN 143 CO 0.04 -0.06 1.17 -2.16 0.02 0.00 0.00 177.10 176.12 1rch s PRO 144 N 0.96 0.52 0.28 -0.60 0.04 -1.25 -4.59 135.00 130.36 1rch s PRO 144 Ca 0.28 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.38 1rch s PRO 144 Cb 0.01 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1rch s PRO 144 CO -0.06 -2.57 0.00 0.25 0.04 0.00 0.00 177.00 174.66 1rch n THR 145 N -3.98 0.00 -4.49 1.26 -2.24 -1.19 -4.97 114.28 98.67 1rch n THR 145 Ca 0.10 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.63 1rch n THR 145 Cb 0.59 -0.24 -0.08 0.00 -2.10 0.00 0.00 70.33 68.50 1rch n THR 145 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1rch s LEU 146 N -6.37 1.96 0.36 3.22 0.05 -1.25 -5.01 118.68 111.64 1rch s LEU 146 Ca 0.00 -1.72 -0.07 0.00 0.05 0.00 0.00 54.13 52.39 1rch s LEU 146 Cb 0.00 0.01 -0.06 0.00 -2.05 0.00 0.00 46.19 44.09 1rch s LEU 146 CO 0.00 -0.98 0.68 -0.70 -0.55 0.00 0.00 176.35 174.79 1rch s GLU 147 N -3.65 3.69 -0.02 1.48 2.12 -1.26 -2.40 118.70 118.66 1rch s GLU 147 Ca 0.25 0.23 -0.21 0.00 0.36 0.00 0.00 54.97 55.59 1rch s GLU 147 Cb 0.02 -2.50 -0.05 0.00 0.26 0.00 0.00 34.13 31.86 1rch s GLU 147 CO 0.16 0.06 0.62 0.16 -0.54 0.00 0.00 175.26 175.72 1rch s ASP 148 N -3.27 6.98 -0.67 -1.70 -4.77 -1.26 -4.88 116.67 107.09 1rch s ASP 148 Ca 0.48 1.17 -0.02 0.00 -3.30 0.00 0.00 52.55 50.88 1rch s ASP 148 Cb -0.10 -2.38 0.44 0.00 -1.09 0.00 0.00 42.92 39.79 1rch s ASP 148 CO 0.32 0.05 1.99 1.07 0.70 0.00 0.00 175.17 179.30 1rch n THR 149 N 2.97 3.57 -0.03 2.11 5.66 -1.26 -4.38 114.28 122.92 1rch n THR 149 Ca -0.06 -3.17 -0.05 0.00 -3.05 0.00 0.00 64.05 57.72 1rch n THR 149 Cb 0.51 -1.17 -0.02 0.00 -1.55 0.00 0.00 70.33 68.10 1rch n THR 149 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rch n GLY 150 N -0.86 -0.09 4.01 1.09 0.00 -1.26 -5.07 105.19 103.01 1rch n GLY 150 Ca 0.61 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 46.37 1rch n GLY 150 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rch s TYR 151 N -2.11 1.34 -1.46 1.61 1.51 -1.26 -4.44 117.35 112.53 1rch s TYR 151 Ca -0.08 -0.47 -0.03 0.00 -1.01 0.00 0.00 57.07 55.48 1rch s TYR 151 Cb 0.03 -2.75 0.00 0.00 -0.11 0.00 0.00 41.96 39.13 1rch s TYR 151 CO 0.12 -1.64 0.39 0.94 -1.11 0.00 0.00 175.55 174.24 1rch n GLN 152 N -2.70 -3.55 -2.72 -0.62 7.27 -1.26 -4.88 117.38 108.92 1rch n GLN 152 Ca 0.16 0.85 -0.04 0.00 0.07 0.00 0.00 57.00 58.04 1rch n GLN 152 Cb 0.61 -5.48 0.09 0.00 2.41 0.00 0.00 30.24 27.87 1rch n GLN 152 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 1rch n VAL 153 N -4.28 0.48 -0.33 1.69 0.24 -1.26 -5.14 118.33 109.73 1rch n VAL 153 Ca -0.14 -1.93 -0.23 0.00 -2.04 0.00 0.00 64.34 60.00 1rch n VAL 153 Cb 0.63 1.03 0.22 0.00 -1.47 0.00 0.00 33.84 34.25 1rch n VAL 153 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1rch n GLU 154 N -0.86 -3.32 0.00 7.34 0.28 -1.26 -5.14 120.64 117.67 1rch n GLU 154 Ca -0.04 -1.11 0.16 0.00 -0.16 0.00 0.00 57.16 56.01 1rch n GLU 154 Cb 0.84 -1.67 0.85 0.00 1.43 0.00 0.00 31.44 32.89 1rch n GLU 154 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25