#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rch s LEU 2 N 0.00 4.48 -1.12 -0.89 0.20 -1.26 -4.91 118.68 115.18 1rch s LEU 2 Ca 0.00 1.55 -0.06 0.00 0.69 0.00 0.00 54.13 56.31 1rch s LEU 2 Cb 0.00 -3.33 0.02 0.00 -0.43 0.00 0.00 46.19 42.45 1rch s LEU 2 CO 0.00 0.01 2.72 0.29 -0.29 0.00 0.00 176.35 179.08 1rch n LYS 3 N 2.69 3.74 -3.61 1.98 4.76 -1.26 -4.60 118.16 121.85 1rch n LYS 3 Ca -0.02 -2.71 -0.07 0.00 -2.87 0.00 0.00 58.31 52.64 1rch n LYS 3 Cb 0.50 -2.52 -0.05 0.00 -1.84 0.00 0.00 35.03 31.11 1rch n LYS 3 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1rch s GLN 4 N -0.23 0.37 0.19 1.97 0.74 -1.26 -5.09 119.66 116.36 1rch s GLN 4 Ca 0.60 0.17 -0.23 0.00 0.05 0.00 0.00 55.36 55.95 1rch s GLN 4 Cb 0.23 0.17 -0.08 0.00 1.10 0.00 0.00 33.01 34.44 1rch s GLN 4 CO -0.10 -0.10 0.76 0.08 -0.55 0.00 0.00 175.29 175.38 1rch s VAL 5 N -0.73 4.45 -0.03 1.34 1.01 -1.22 -4.72 120.40 120.50 1rch s VAL 5 Ca 0.03 1.52 0.04 0.00 0.00 0.00 0.00 61.98 63.58 1rch s VAL 5 Cb -0.02 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1rch s VAL 5 CO -0.04 0.37 -0.16 -1.61 0.00 0.00 0.00 175.10 173.66 1rch s GLU 6 N -1.54 1.56 -0.34 2.72 2.02 -1.09 -2.00 118.70 120.03 1rch s GLU 6 Ca 0.39 -0.58 -0.01 0.00 0.02 0.00 0.00 54.97 54.80 1rch s GLU 6 Cb -0.20 -1.41 0.12 0.00 0.10 0.00 0.00 34.13 32.74 1rch s GLU 6 CO 0.24 0.28 0.17 0.42 0.02 0.00 0.00 175.26 176.38 1rch s ILE 7 N -0.10 0.54 -0.47 -1.63 1.01 -1.07 -2.54 121.20 116.93 1rch s ILE 7 Ca -0.00 -1.58 -0.16 0.00 0.00 0.00 0.00 60.65 58.91 1rch s ILE 7 Cb -0.09 -1.40 0.06 0.00 0.01 0.00 0.00 42.46 41.03 1rch s ILE 7 CO 0.01 -0.83 0.44 -0.36 0.00 0.00 0.00 174.94 174.20 1rch s PHE 8 N 1.31 3.19 0.00 3.97 0.08 -1.14 -2.03 117.98 123.36 1rch s PHE 8 Ca 0.14 -0.75 -0.02 0.00 0.12 0.00 0.00 56.93 56.42 1rch s PHE 8 Cb -0.20 -3.17 -0.04 0.00 -0.57 0.00 0.00 43.02 39.04 1rch s PHE 8 CO -0.15 -0.82 0.18 0.95 -0.10 0.00 0.00 175.22 175.28 1rch s THR 9 N 1.93 5.37 -0.32 0.64 -4.23 -1.21 -1.99 115.64 115.82 1rch s THR 9 Ca 0.07 -0.23 0.06 0.00 -1.18 0.00 0.00 61.69 60.42 1rch s THR 9 Cb -0.22 -3.53 0.19 0.00 1.34 0.00 0.00 72.50 70.29 1rch s THR 9 CO 0.09 0.29 0.62 -0.62 -0.54 0.00 0.00 174.62 174.46 1rch s ASP 10 N -2.04 -1.56 0.61 3.99 -1.08 0.82 -4.77 116.67 112.64 1rch s ASP 10 Ca 0.28 -0.06 -0.09 0.00 -0.52 0.00 0.00 52.55 52.16 1rch s ASP 10 Cb -0.13 1.98 -0.02 0.00 -1.46 0.00 0.00 42.92 43.29 1rch s ASP 10 CO 0.20 -0.26 0.98 -0.83 0.52 0.00 0.00 175.17 175.78 1rch s GLY 11 N 2.58 1.61 -0.43 2.66 0.00 -1.26 -2.16 107.32 110.32 1rch s GLY 11 Ca 0.12 -0.29 0.07 0.00 0.00 0.00 0.00 44.72 44.62 1rch s GLY 11 CO -0.21 -0.02 0.61 -0.45 0.00 0.00 0.00 173.10 173.03 1rch s SER 12 N -4.21 -1.10 -0.03 1.64 0.15 -0.87 -4.93 113.70 104.35 1rch s SER 12 Ca 0.54 -1.16 -0.17 0.00 0.70 0.00 0.00 55.95 55.86 1rch s SER 12 Cb -0.11 1.71 -0.05 0.00 -1.71 0.00 0.00 66.02 65.86 1rch s SER 12 CO 0.51 -0.15 0.45 0.00 1.20 0.00 0.00 173.24 175.25 1rch h LEU 14 N 5.44 0.51 0.00 0.00 3.38 -1.82 -3.47 115.31 119.36 1rch h LEU 14 Ca -0.47 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 56.98 1rch h LEU 14 Cb 1.20 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1rch h LEU 14 CO 0.67 1.39 0.00 0.61 0.09 0.00 0.00 178.44 181.20 1rch n GLY 15 N 1.44 5.78 2.70 0.83 0.00 -1.26 -4.96 105.19 109.73 1rch n GLY 15 Ca -0.09 -1.80 -0.04 0.00 0.00 0.00 0.00 46.02 44.08 1rch n GLY 15 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rch n ASN 16 N 0.00 -2.12 -4.79 1.61 0.23 -1.26 -4.20 115.26 104.73 1rch n ASN 16 Ca 0.00 -1.91 -0.29 0.00 -0.53 0.00 0.00 54.58 51.85 1rch n ASN 16 Cb 0.00 1.13 0.13 0.00 -2.08 0.00 0.00 39.78 38.96 1rch n ASN 16 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1rch s PRO 17 N 0.74 1.18 -0.01 -0.53 0.04 -1.26 -5.07 135.00 130.10 1rch s PRO 17 Ca 0.27 0.30 -0.29 0.00 0.04 0.00 0.00 61.00 61.32 1rch s PRO 17 Cb 0.12 -1.84 0.11 0.00 0.04 0.00 0.00 34.50 32.93 1rch s PRO 17 CO -0.11 -2.17 1.28 0.20 0.04 0.00 0.00 177.00 176.24 1rch s GLY 18 N -4.03 -0.29 -0.48 0.56 0.00 0.19 -4.81 107.32 98.46 1rch s GLY 18 Ca 0.64 0.42 -0.28 0.00 0.00 0.00 0.00 44.72 45.49 1rch s GLY 18 CO 0.53 2.15 1.45 2.56 0.00 0.00 0.00 173.10 179.79 1rch s PRO 19 N -2.27 3.41 0.00 2.90 0.04 -1.09 0.40 135.00 138.39 1rch s PRO 19 Ca 0.20 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1rch s PRO 19 Cb 0.03 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1rch s PRO 19 CO -0.02 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 175.64 1rch n GLY 20 N 5.20 4.12 3.60 0.56 0.00 -1.02 -3.44 105.19 114.21 1rch n GLY 20 Ca 0.15 -1.40 -0.07 0.00 0.00 0.00 0.00 46.02 44.70 1rch n GLY 20 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rch s GLY 21 N -0.52 -0.39 -0.16 -0.02 0.00 -1.17 -0.64 107.32 104.43 1rch s GLY 21 Ca 0.00 0.55 -0.02 0.00 0.00 0.00 0.00 44.72 45.26 1rch s GLY 21 CO 0.00 0.17 -0.10 -2.52 0.00 0.00 0.00 173.10 170.65 1rch s TYR 22 N -3.32 2.87 -0.31 1.90 -0.85 -1.25 -2.04 117.35 114.35 1rch s TYR 22 Ca 0.07 -0.75 -0.11 0.00 -0.52 0.00 0.00 57.07 55.77 1rch s TYR 22 Cb -0.01 -1.94 -0.02 0.00 0.38 0.00 0.00 41.96 40.37 1rch s TYR 22 CO -0.05 -0.32 0.18 0.20 -1.52 0.00 0.00 175.55 174.04 1rch s GLY 23 N 0.73 1.90 -0.29 5.49 0.00 -0.92 -3.65 107.32 110.59 1rch s GLY 23 Ca -0.05 -1.35 -0.01 0.00 0.00 0.00 0.00 44.72 43.32 1rch s GLY 23 CO 0.02 0.71 0.07 0.00 0.00 0.00 0.00 173.10 173.90 1rch s ALA 24 N 1.66 1.55 -0.36 3.20 0.00 0.09 -0.13 121.76 127.77 1rch s ALA 24 Ca 0.05 -1.52 -0.25 0.00 0.00 0.00 0.00 51.96 50.24 1rch s ALA 24 Cb -0.17 -1.55 0.01 0.00 0.00 0.00 0.00 23.12 21.41 1rch s ALA 24 CO 0.08 -1.54 0.88 0.42 0.00 0.00 0.00 175.76 175.59 1rch s ILE 25 N 1.61 4.64 0.32 0.00 1.01 -0.84 -1.55 121.20 126.38 1rch s ILE 25 Ca 0.07 1.11 -0.04 0.00 0.00 0.00 0.00 60.65 61.79 1rch s ILE 25 Cb -0.17 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 1rch s ILE 25 CO -0.20 -0.49 0.59 -0.22 0.00 0.00 0.00 174.94 174.62 1rch s LEU 26 N 3.33 4.00 -0.30 2.97 2.96 0.42 -2.88 118.68 129.19 1rch s LEU 26 Ca 0.36 0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 54.96 1rch s LEU 26 Cb -0.12 -3.56 0.11 0.00 0.50 0.00 0.00 46.19 43.12 1rch s LEU 26 CO 0.18 -0.26 0.18 -0.60 -1.32 0.00 0.00 176.35 174.53 1rch s ARG 27 N -3.79 0.26 0.00 1.98 3.52 -1.05 -3.05 118.95 116.82 1rch s ARG 27 Ca 0.44 -0.53 0.00 0.00 -0.13 0.00 0.00 55.73 55.51 1rch s ARG 27 Cb -0.10 -1.05 0.00 0.00 -1.56 0.00 0.00 34.95 32.23 1rch s ARG 27 CO 0.32 -1.04 0.00 0.98 -0.81 0.00 0.00 175.30 174.75 1rch n TYR 28 N 5.13 -1.08 -1.55 5.12 9.36 -0.87 -2.65 117.16 130.62 1rch n TYR 28 Ca -0.03 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 61.02 1rch n TYR 28 Cb 0.43 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 39.04 1rch n TYR 28 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1rch n ARG 29 N -0.36 0.49 -4.06 2.98 5.12 -1.26 -2.76 116.66 116.80 1rch n ARG 29 Ca 0.00 -0.62 -0.31 0.00 -1.93 0.00 0.00 57.85 54.99 1rch n ARG 29 Cb 0.00 -3.15 -0.01 0.00 -1.16 0.00 0.00 32.46 28.14 1rch n ARG 29 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rch n GLY 30 N 6.51 -0.37 3.10 -0.13 0.00 -1.26 -4.92 105.19 108.11 1rch n GLY 30 Ca 0.50 0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.68 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 -6.72 0.52 0.24 1.61 0.52 -1.11 -5.05 118.95 108.96 1rch s ARG 31 Ca 0.44 0.77 -0.29 0.00 -0.52 0.00 0.00 55.73 56.13 1rch s ARG 31 Cb -0.24 0.27 -0.09 0.00 0.52 0.00 0.00 34.95 35.41 1rch s ARG 31 CO 0.90 -0.75 0.92 -2.00 0.02 0.00 0.00 175.30 174.39 1rch s GLU 32 N 2.78 4.81 -0.07 3.54 2.12 -1.26 -2.04 118.70 128.58 1rch s GLU 32 Ca 0.16 1.45 -0.03 0.00 0.36 0.00 0.00 54.97 56.91 1rch s GLU 32 Cb -0.14 -3.24 0.04 0.00 0.26 0.00 0.00 34.13 31.05 1rch s GLU 32 CO -0.22 0.51 0.15 0.15 -0.54 0.00 0.00 175.26 175.31 1rch s LYS 33 N -1.24 0.10 0.18 4.30 1.02 -1.17 -4.99 119.74 117.94 1rch s LYS 33 Ca 0.41 0.38 -0.06 0.00 0.02 0.00 0.00 55.97 56.72 1rch s LYS 33 Cb -0.25 -0.18 -0.06 0.00 -0.52 0.00 0.00 37.83 36.82 1rch s LYS 33 CO 0.31 -0.16 0.44 0.99 -0.92 0.00 0.00 175.35 176.00 1rch s THR 34 N 1.17 5.10 -0.30 2.17 2.01 -1.26 -0.44 115.64 124.08 1rch s THR 34 Ca -0.09 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.03 1rch s THR 34 Cb -0.11 -3.64 0.14 0.00 0.01 0.00 0.00 72.50 68.90 1rch s THR 34 CO -0.06 -0.04 0.31 -0.36 -0.69 0.00 0.00 174.62 173.78 1rch s PHE 35 N -1.75 -0.46 -0.32 4.92 0.40 -0.60 -4.94 117.98 115.23 1rch s PHE 35 Ca 0.43 -0.26 0.05 0.00 -0.60 0.00 0.00 56.93 56.54 1rch s PHE 35 Cb -0.12 -0.44 0.19 0.00 0.51 0.00 0.00 43.02 43.17 1rch s PHE 35 CO 0.25 -0.93 0.65 0.45 0.70 0.00 0.00 175.22 176.33 1rch s SER 36 N 2.21 -1.48 0.65 1.36 0.15 -1.24 -0.73 113.70 114.62 1rch s SER 36 Ca 0.11 -0.08 -0.01 0.00 0.70 0.00 0.00 55.95 56.66 1rch s SER 36 Cb -0.14 1.92 0.08 0.00 -1.71 0.00 0.00 66.02 66.16 1rch s SER 36 CO -0.28 -0.24 0.91 0.00 1.20 0.00 0.00 173.24 174.83 1rch s ALA 37 N 2.56 3.64 0.31 5.45 0.00 -1.26 -4.90 121.76 127.57 1rch s ALA 37 Ca 0.13 -1.40 0.07 0.00 0.00 0.00 0.00 51.96 50.76 1rch s ALA 37 Cb -0.07 -2.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.85 1rch s ALA 37 CO -0.21 -1.16 0.32 0.20 0.00 0.00 0.00 175.76 174.92 1rch s GLY 38 N -4.57 1.60 -0.01 0.00 0.00 -1.26 -3.80 107.32 99.27 1rch s GLY 38 Ca 0.62 -1.51 -0.12 0.00 0.00 0.00 0.00 44.72 43.71 1rch s GLY 38 CO 0.42 -1.47 0.24 -0.19 0.00 0.00 0.00 173.10 172.11 1rch s TYR 39 N -2.20 -0.10 -0.12 1.90 1.51 0.19 -4.00 117.35 114.52 1rch s TYR 39 Ca 0.40 0.14 0.15 0.00 -1.01 0.00 0.00 57.07 56.75 1rch s TYR 39 Cb -0.07 0.04 -0.24 0.00 -0.11 0.00 0.00 41.96 41.58 1rch s TYR 39 CO 0.28 -0.34 0.38 0.25 -1.11 0.00 0.00 175.55 175.01 1rch n THR 40 N 1.43 1.49 -3.41 -0.71 -2.24 -1.25 -2.42 114.28 107.17 1rch n THR 40 Ca -0.22 -0.82 -0.19 0.00 -2.27 0.00 0.00 64.05 60.55 1rch n THR 40 Cb 0.56 -0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 67.94 1rch n THR 40 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1rch s ARG 41 N -2.56 0.39 0.24 -0.78 3.52 -1.25 -2.67 118.95 115.84 1rch s ARG 41 Ca -0.07 -0.40 -0.10 0.00 -0.13 0.00 0.00 55.73 55.02 1rch s ARG 41 Cb 0.07 -0.75 -0.01 0.00 -1.56 0.00 0.00 34.95 32.70 1rch s ARG 41 CO 0.83 -1.08 0.41 -0.08 -0.81 0.00 0.00 175.30 174.57 1rch s THR 42 N 2.06 0.00 0.38 4.11 -1.32 0.16 -4.48 115.64 116.55 1rch s THR 42 Ca 0.11 -1.53 0.05 0.00 -1.21 0.00 0.00 61.69 59.11 1rch s THR 42 Cb -0.15 -2.27 -0.07 0.00 -1.51 0.00 0.00 72.50 68.50 1rch s THR 42 CO -0.25 0.00 0.04 0.42 -2.21 0.00 0.00 174.62 172.62 1rch s THR 43 N -4.03 1.55 0.21 5.08 -4.23 -1.26 0.53 115.64 113.49 1rch s THR 43 Ca 0.26 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.68 1rch s THR 43 Cb 0.01 -2.85 0.16 0.00 1.34 0.00 0.00 72.50 71.16 1rch s THR 43 CO 0.10 0.00 1.82 -1.13 -0.54 0.00 0.00 174.62 174.87 1rch h ASN 44 N 1.91 0.97 0.30 3.99 -1.24 -1.91 -1.18 115.58 118.41 1rch h ASN 44 Ca -0.42 -0.10 -0.01 0.00 0.71 0.00 0.00 56.30 56.48 1rch h ASN 44 Cb 1.25 -0.25 -0.00 0.00 0.73 0.00 0.00 38.32 40.04 1rch h ASN 44 CO 0.75 0.80 -0.18 0.78 -1.29 0.00 0.00 177.43 178.29 1rch h ASN 45 N 1.08 -0.45 -0.23 1.15 -0.26 -1.99 0.20 115.58 115.08 1rch h ASN 45 Ca 0.27 0.03 0.03 0.00 -0.56 0.00 0.00 56.30 56.07 1rch h ASN 45 Cb 0.05 0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 37.41 1rch h ASN 45 CO -0.04 -0.29 0.02 0.03 -1.06 0.00 0.00 177.43 176.09 1rch h ARG 46 N -0.46 0.10 -0.64 0.81 3.08 -1.92 -0.13 114.38 115.23 1rch h ARG 46 Ca -0.03 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1rch h ARG 46 Cb 0.38 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1rch h ARG 46 CO 0.03 0.07 0.36 0.52 -1.07 0.00 0.00 179.97 179.88 1rch h MET 47 N 0.10 0.88 0.30 0.04 2.86 -0.98 1.06 114.93 119.20 1rch h MET 47 Ca 0.11 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1rch h MET 47 Cb 0.12 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1rch h MET 47 CO -0.16 0.65 -0.14 0.93 1.06 0.00 0.00 176.91 179.25 1rch h GLU 48 N 0.87 -0.39 -0.01 1.72 5.08 -0.18 -0.23 114.58 121.43 1rch h GLU 48 Ca 0.23 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1rch h GLU 48 Cb 0.02 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1rch h GLU 48 CO -0.04 -0.25 0.01 -0.07 -1.00 0.00 0.00 179.01 177.66 1rch h LEU 49 N -0.41 0.02 -1.46 1.33 3.38 -0.78 -2.59 115.31 114.80 1rch h LEU 49 Ca -0.04 -0.05 0.22 0.00 0.09 0.00 0.00 57.88 58.10 1rch h LEU 49 Cb 0.32 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 1rch h LEU 49 CO 0.07 0.06 0.62 -0.03 0.09 0.00 0.00 178.44 179.25 1rch h MET 50 N -0.03 0.41 0.46 1.13 4.05 0.14 0.39 114.93 121.48 1rch h MET 50 Ca 0.01 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 1rch h MET 50 Cb 0.05 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 1rch h MET 50 CO -0.00 0.27 -0.22 0.00 0.23 0.00 0.00 176.91 177.19 1rch h ALA 51 N 1.61 -0.62 -0.45 0.39 0.00 -0.64 0.22 119.26 119.77 1rch h ALA 51 Ca 0.50 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 1rch h ALA 51 Cb 1.24 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1rch h ALA 51 CO -0.21 -0.74 -0.09 0.00 0.00 0.00 0.00 179.25 178.21 1rch h ALA 52 N -0.43 1.00 -0.10 0.00 0.00 -1.07 -1.97 119.26 116.69 1rch h ALA 52 Ca -0.06 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 1rch h ALA 52 Cb 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1rch h ALA 52 CO 0.10 0.60 -0.25 0.82 0.00 0.00 0.00 179.25 180.52 1rch h ILE 53 N 0.73 1.39 -0.78 0.00 2.04 -0.22 -2.09 117.51 118.58 1rch h ILE 53 Ca 0.13 -1.57 -0.04 0.00 1.00 0.00 0.00 64.86 64.38 1rch h ILE 53 Cb 0.57 2.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.76 1rch h ILE 53 CO 0.04 0.45 0.33 0.58 0.00 0.00 0.00 178.15 179.55 1rch h VAL 54 N -0.09 1.26 -0.31 1.67 2.07 -0.50 0.30 116.25 120.64 1rch h VAL 54 Ca -0.00 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.75 1rch h VAL 54 Cb 0.86 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1rch h VAL 54 CO 0.06 0.33 0.15 0.00 0.02 0.00 0.00 177.57 178.12 1rch h ALA 55 N 1.17 0.38 -0.20 1.67 0.00 -1.29 0.25 119.26 121.24 1rch h ALA 55 Ca 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1rch h ALA 55 Cb 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1rch h ALA 55 CO -0.02 -0.24 0.08 -0.07 0.00 0.00 0.00 179.25 179.00 1rch h LEU 56 N 0.31 0.28 -1.36 0.00 3.38 -0.76 -2.43 115.31 114.73 1rch h LEU 56 Ca 0.13 -0.17 0.10 0.00 0.09 0.00 0.00 57.88 58.03 1rch h LEU 56 Cb 0.06 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1rch h LEU 56 CO -0.10 0.37 0.52 -0.33 0.09 0.00 0.00 178.44 178.99 1rch h GLU 57 N 0.16 0.69 -0.85 1.13 5.08 0.04 -0.02 114.58 120.82 1rch h GLU 57 Ca 0.07 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1rch h GLU 57 Cb 0.18 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1rch h GLU 57 CO -0.00 0.46 0.55 0.00 -1.00 0.00 0.00 179.01 179.02 1rch h ALA 58 N 1.60 1.58 -2.37 3.43 0.00 -0.01 -3.40 119.26 120.10 1rch h ALA 58 Ca 0.37 -0.02 -0.53 0.00 0.00 0.00 0.00 54.91 54.72 1rch h ALA 58 Cb 0.47 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 18.03 1rch h ALA 58 CO -0.14 0.28 1.15 -0.51 0.00 0.00 0.00 179.25 180.03 1rch s LEU 59 N -9.90 4.39 -0.58 0.00 1.43 -0.02 -4.86 118.68 109.14 1rch s LEU 59 Ca -0.11 2.55 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 1rch s LEU 59 Cb 0.20 -3.54 0.48 0.00 0.03 0.00 0.00 46.19 43.36 1rch s LEU 59 CO 0.79 -0.99 1.90 0.29 0.23 0.00 0.00 176.35 178.57 1rch n LYS 60 N 6.92 2.70 -3.17 1.70 4.76 -1.26 -4.81 118.16 125.00 1rch n LYS 60 Ca 0.18 -3.35 0.05 0.00 -2.87 0.00 0.00 58.31 52.32 1rch n LYS 60 Cb 0.41 -2.26 -0.02 0.00 -1.84 0.00 0.00 35.03 31.32 1rch n LYS 60 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1rch s GLU 61 N -3.71 0.07 -0.23 1.97 1.03 -1.26 -5.11 118.70 111.46 1rch s GLU 61 Ca 0.62 0.14 -0.32 0.00 0.03 0.00 0.00 54.97 55.44 1rch s GLU 61 Cb 0.49 0.08 -0.09 0.00 -0.80 0.00 0.00 34.13 33.81 1rch s GLU 61 CO 0.01 -0.06 2.14 0.72 -1.33 0.00 0.00 175.26 176.73 1rch n HIS 62 N 5.27 1.93 -4.10 4.83 8.25 -1.26 -4.89 115.22 125.25 1rch n HIS 62 Ca -0.08 0.03 -0.13 0.00 -0.26 0.00 0.00 57.72 57.27 1rch n HIS 62 Cb 0.55 -2.65 -0.05 0.00 1.12 0.00 0.00 29.99 28.95 1rch n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rch s GLU 64 N -3.45 4.21 -0.05 0.00 2.02 -1.26 -4.52 118.70 115.65 1rch s GLU 64 Ca 0.31 2.43 0.02 0.00 0.02 0.00 0.00 54.97 57.74 1rch s GLU 64 Cb 0.01 -3.03 0.02 0.00 0.10 0.00 0.00 34.13 31.22 1rch s GLU 64 CO 0.17 -0.44 -0.08 0.08 0.02 0.00 0.00 175.26 175.01 1rch s VAL 65 N -0.68 0.80 -0.26 2.63 1.01 -0.74 -3.40 120.40 119.76 1rch s VAL 65 Ca 0.55 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 62.24 1rch s VAL 65 Cb -0.44 -0.76 0.04 0.00 0.00 0.00 0.00 36.38 35.22 1rch s VAL 65 CO 0.54 0.28 -0.07 -0.51 0.00 0.00 0.00 175.10 175.34 1rch s ILE 66 N 0.71 2.65 0.10 2.22 2.07 -0.85 -2.20 121.20 125.90 1rch s ILE 66 Ca -0.12 -1.30 -0.10 0.00 -1.41 0.00 0.00 60.65 57.72 1rch s ILE 66 Cb -0.14 -2.44 -0.06 0.00 0.13 0.00 0.00 42.46 39.94 1rch s ILE 66 CO 0.02 0.07 0.42 -0.22 -1.91 0.00 0.00 174.94 173.31 1rch s LEU 67 N 1.24 4.34 -0.10 8.50 0.20 -0.52 -2.61 118.68 129.72 1rch s LEU 67 Ca -0.04 0.81 -0.03 0.00 0.69 0.00 0.00 54.13 55.56 1rch s LEU 67 Cb -0.18 -3.06 0.04 0.00 -0.43 0.00 0.00 46.19 42.56 1rch s LEU 67 CO -0.04 0.15 0.07 -0.55 -0.29 0.00 0.00 176.35 175.69 1rch s SER 68 N -1.82 1.67 -0.19 3.68 0.15 -0.86 -0.94 113.70 115.39 1rch s SER 68 Ca 0.34 -0.22 -0.28 0.00 0.70 0.00 0.00 55.95 56.49 1rch s SER 68 Cb -0.14 -0.18 0.11 0.00 -1.71 0.00 0.00 66.02 64.10 1rch s SER 68 CO 0.19 -0.29 0.92 0.28 1.20 0.00 0.00 173.24 175.53 1rch s THR 69 N 2.16 0.00 -0.40 6.45 -1.32 -0.99 -3.33 115.64 118.21 1rch s THR 69 Ca 0.04 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.51 1rch s THR 69 Cb -0.14 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.16 1rch s THR 69 CO -0.06 0.00 1.95 -0.90 -2.21 0.00 0.00 174.62 173.40 1rch n ASP 70 N 1.42 6.25 -4.63 8.08 5.75 -1.26 -3.18 116.55 128.98 1rch n ASP 70 Ca -0.13 -3.23 -0.41 0.00 -0.01 0.00 0.00 54.79 51.01 1rch n ASP 70 Cb 0.57 -0.98 -0.05 0.00 -1.03 0.00 0.00 41.12 39.63 1rch n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1rch s SER 71 N -0.42 6.70 0.02 -1.12 0.15 -1.26 -4.75 113.70 113.01 1rch s SER 71 Ca 0.40 0.85 -0.15 0.00 0.70 0.00 0.00 55.95 57.76 1rch s SER 71 Cb 0.32 -2.38 -0.35 0.00 -1.71 0.00 0.00 66.02 61.89 1rch s SER 71 CO 0.01 -0.45 0.96 -0.61 1.20 0.00 0.00 173.24 174.35 1rch h GLN 72 N 7.81 0.51 -0.85 5.44 4.15 -1.98 -2.16 115.11 128.03 1rch h GLN 72 Ca -0.25 -0.88 0.06 0.00 0.77 0.00 0.00 58.65 58.35 1rch h GLN 72 Cb 1.11 0.33 -0.05 0.00 0.21 0.00 0.00 27.48 29.07 1rch h GLN 72 CO 0.82 1.42 0.55 -0.92 -1.93 0.00 0.00 178.83 178.77 1rch h TYR 73 N 0.14 0.97 0.19 3.99 5.03 -1.97 0.15 116.97 125.46 1rch h TYR 73 Ca -0.27 0.02 -0.29 0.00 2.58 0.00 0.00 58.73 60.78 1rch h TYR 73 Cb 2.16 -0.32 0.02 0.00 1.55 0.00 0.00 36.73 40.14 1rch h TYR 73 CO 0.12 0.52 -1.34 0.28 -1.32 0.00 0.00 178.16 176.42 1rch h VAL 74 N 0.96 1.24 0.49 1.81 2.07 -1.94 0.66 116.25 121.54 1rch h VAL 74 Ca 0.36 -2.58 -0.01 0.00 0.82 0.00 0.00 66.70 65.29 1rch h VAL 74 Cb 0.18 2.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1rch h VAL 74 CO -0.13 0.78 -0.36 -0.09 0.02 0.00 0.00 177.57 177.79 1rch h ARG 75 N -0.07 -0.80 -0.06 1.57 2.43 -1.00 0.60 114.38 117.05 1rch h ARG 75 Ca -0.25 0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 58.85 1rch h ARG 75 Cb 1.96 0.18 0.01 0.00 -0.42 0.00 0.00 29.97 31.70 1rch h ARG 75 CO 0.19 -0.53 -0.44 1.96 -1.51 0.00 0.00 179.97 179.64 1rch h GLN 76 N -0.83 0.40 -0.77 0.20 4.20 -0.86 -2.59 115.11 114.85 1rch h GLN 76 Ca -0.05 -0.35 0.17 0.00 0.06 0.00 0.00 58.65 58.48 1rch h GLN 76 Cb 0.70 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.52 1rch h GLN 76 CO 0.01 1.00 0.52 0.78 -0.67 0.00 0.00 178.83 180.47 1rch h GLY 77 N -0.09 0.58 0.00 3.46 0.00 0.40 2.07 103.07 109.50 1rch h GLY 77 Ca -0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1rch h GLY 77 CO 0.09 0.03 -0.00 -2.22 0.00 0.00 0.00 176.54 174.44 1rch h ILE 78 N 0.32 0.00 -0.80 2.60 1.08 0.21 0.82 117.51 121.74 1rch h ILE 78 Ca 0.38 -0.38 -0.49 0.00 -0.39 0.00 0.00 64.86 63.98 1rch h ILE 78 Cb 1.02 0.00 -0.24 0.00 -3.07 0.00 0.00 36.82 34.53 1rch h ILE 78 CO -0.11 0.00 0.63 0.35 -0.69 0.00 0.00 178.15 178.34 1rch n THR 79 N -3.07 3.09 0.07 -0.27 -2.24 -0.98 -2.85 114.28 108.03 1rch n THR 79 Ca -0.00 -2.07 0.00 0.00 -2.27 0.00 0.00 64.05 59.71 1rch n THR 79 Cb 0.00 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 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 -0.60 0.00 -0.03 -0.78 0.00 0.68 -4.83 117.38 111.82 1rch n GLN 80 Ca 0.50 0.00 -0.22 0.00 -0.00 0.00 0.00 57.00 57.28 1rch n GLN 80 Cb 0.97 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 31.08 1rch n GLN 80 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 1rch n TRP 81 N -2.86 1.12 0.02 3.69 8.01 -0.11 -4.10 117.44 123.21 1rch n TRP 81 Ca 0.00 0.30 -0.05 0.00 -1.31 0.00 0.00 57.50 56.44 1rch n TRP 81 Cb 0.00 -1.14 0.16 0.00 -2.01 0.00 0.00 31.31 28.33 1rch n TRP 81 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 1rch h ILE 82 N -0.25 1.29 0.06 -0.99 2.10 0.77 -1.06 117.51 119.43 1rch h ILE 82 Ca -0.42 -1.46 0.01 0.00 1.08 0.00 0.00 64.86 64.08 1rch h ILE 82 Cb 1.82 1.51 -0.04 0.00 -1.09 0.00 0.00 36.82 39.03 1rch h ILE 82 CO -0.01 0.45 -0.39 -0.74 -1.08 0.00 0.00 178.15 176.38 1rch h HIS 83 N 0.39 -1.14 -0.02 2.19 2.76 -1.68 4.48 115.15 122.13 1rch h HIS 83 Ca 0.04 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.12 1rch h HIS 83 Cb 0.80 0.49 -0.02 0.00 1.55 0.00 0.00 27.41 30.24 1rch h HIS 83 CO 0.03 -0.43 -0.57 -0.91 -1.30 0.00 0.00 177.93 174.74 1rch h ASN 84 N -0.53 0.08 0.52 3.26 2.35 -1.70 0.17 115.58 119.73 1rch h ASN 84 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1rch h ASN 84 Cb 0.55 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1rch h ASN 84 CO -0.23 0.64 -0.05 0.79 -1.65 0.00 0.00 177.43 176.92 1rch n TRP 85 N -3.87 0.00 0.00 1.19 8.01 -0.40 -2.55 117.44 119.82 1rch n TRP 85 Ca -0.02 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.17 1rch n TRP 85 Cb 0.58 -0.26 0.00 0.00 -2.01 0.00 0.00 31.31 29.62 1rch n TRP 85 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 1rch n LYS 86 N -1.20 0.00 -0.05 -0.99 4.81 1.46 -2.57 118.16 119.62 1rch n LYS 86 Ca 0.14 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.43 1rch n LYS 86 Cb 0.26 -0.18 -0.09 0.00 0.02 0.00 0.00 35.03 35.04 1rch n LYS 86 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1rch h LYS 87 N 0.00 -0.50 0.00 1.64 3.64 -0.80 -2.97 116.57 117.58 1rch h LYS 87 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1rch h LYS 87 Cb 0.00 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1rch h LYS 87 CO 0.00 -0.33 0.00 0.54 -2.27 0.00 0.00 179.45 177.39 1rch n ARG 88 N -5.42 0.00 0.00 1.90 5.12 -1.06 -4.64 116.66 112.57 1rch n ARG 88 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 1rch n ARG 88 Cb 0.37 -0.12 0.00 0.00 -1.16 0.00 0.00 32.46 31.54 1rch n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rch n GLY 89 N 0.00 -0.27 2.22 -0.13 0.00 -1.24 -4.97 105.19 100.80 1rch n GLY 89 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1rch n GLY 89 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1rch n TRP 90 N -0.11 -0.05 -3.88 1.61 -0.00 -1.06 -4.96 117.44 108.99 1rch n TRP 90 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.41 1rch n TRP 90 Cb 0.27 -1.70 -0.05 0.00 -0.00 0.00 0.00 31.31 29.83 1rch n TRP 90 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 1rch s LYS 91 N -2.90 1.42 0.34 5.87 2.20 -1.22 -4.74 119.74 120.71 1rch s LYS 91 Ca 0.00 -1.07 -0.27 0.00 -0.36 0.00 0.00 55.97 54.27 1rch s LYS 91 Cb 0.00 0.48 -0.09 0.00 -1.51 0.00 0.00 37.83 36.71 1rch s LYS 91 CO 0.00 -0.59 1.11 0.95 -0.36 0.00 0.00 175.35 176.47 1rch s THR 92 N -3.94 3.42 0.42 3.43 -4.23 -0.80 -4.69 115.64 109.24 1rch s THR 92 Ca 0.15 1.28 0.14 0.00 -1.18 0.00 0.00 61.69 62.08 1rch s THR 92 Cb -0.00 -3.75 0.34 0.00 1.34 0.00 0.00 72.50 70.42 1rch s THR 92 CO 0.02 0.19 1.93 0.00 -0.54 0.00 0.00 174.62 176.23 1rch h ALA 93 N 3.15 2.03 -0.29 3.99 0.00 -1.96 -1.75 119.26 124.44 1rch h ALA 93 Ca -0.48 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.10 1rch h ALA 93 Cb 1.22 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.81 1rch h ALA 93 CO 0.64 -0.22 0.07 -0.40 0.00 0.00 0.00 179.25 179.35 1rch n ASP 94 N -4.48 5.93 -3.64 0.00 5.75 -1.26 -4.78 116.55 114.06 1rch n ASP 94 Ca 0.13 -2.86 -0.20 0.00 -0.01 0.00 0.00 54.79 51.84 1rch n ASP 94 Cb 0.46 -1.28 0.01 0.00 -1.03 0.00 0.00 41.12 39.27 1rch n ASP 94 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1rch n LYS 95 N 1.50 -0.68 -4.18 0.11 0.00 -0.66 -4.90 118.16 109.34 1rch n LYS 95 Ca 0.42 -0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.61 1rch n LYS 95 Cb 0.69 -0.93 -0.09 0.00 -0.00 0.00 0.00 35.03 34.70 1rch n LYS 95 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1rch s LYS 96 N -5.28 1.26 0.39 -1.58 1.02 -1.20 -5.01 119.74 109.35 1rch s LYS 96 Ca 0.16 -1.61 -0.24 0.00 0.02 0.00 0.00 55.97 54.30 1rch s LYS 96 Cb -0.09 0.29 -0.09 0.00 -0.52 0.00 0.00 37.83 37.42 1rch s LYS 96 CO 0.49 -0.42 1.06 -1.25 -0.92 0.00 0.00 175.35 174.30 1rch s PRO 97 N -4.11 4.18 0.42 -1.68 0.04 -1.26 -1.91 135.00 130.68 1rch s PRO 97 Ca 0.38 1.54 -0.22 0.00 0.04 0.00 0.00 61.00 62.73 1rch s PRO 97 Cb 0.06 -2.57 -0.10 0.00 0.04 0.00 0.00 34.50 31.93 1rch s PRO 97 CO 0.12 -0.13 0.99 0.08 0.04 0.00 0.00 177.00 178.10 1rch s VAL 98 N -1.63 4.07 -0.12 -0.36 1.01 -1.26 -4.63 120.40 117.48 1rch s VAL 98 Ca 0.57 1.40 -0.29 0.00 0.00 0.00 0.00 61.98 63.66 1rch s VAL 98 Cb -0.23 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1rch s VAL 98 CO 0.28 -0.17 1.55 -0.75 0.00 0.00 0.00 175.10 176.01 1rch s LYS 99 N -2.90 4.09 -1.32 2.72 2.47 -1.26 -2.46 119.74 121.09 1rch s LYS 99 Ca 0.61 1.92 -0.05 0.00 -1.56 0.00 0.00 55.97 56.90 1rch s LYS 99 Cb -0.15 -3.94 0.02 0.00 -1.46 0.00 0.00 37.83 32.29 1rch s LYS 99 CO 0.19 -0.93 0.98 0.09 0.16 0.00 0.00 175.35 175.84 1rch n ASN 100 N 7.34 -3.41 -0.34 1.43 3.02 -1.26 -4.75 115.26 117.29 1rch n ASN 100 Ca 0.17 -0.67 0.06 0.00 -0.03 0.00 0.00 54.58 54.10 1rch n ASN 100 Cb 0.44 -4.65 0.22 0.00 -0.61 0.00 0.00 39.78 35.18 1rch n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1rch h VAL 101 N -2.14 0.91 -0.47 2.41 3.04 -1.87 0.81 116.25 118.94 1rch h VAL 101 Ca -0.59 -0.32 0.01 0.00 -1.01 0.00 0.00 66.70 64.79 1rch h VAL 101 Cb 1.36 -0.10 -0.02 0.00 -2.01 0.00 0.00 31.29 30.52 1rch h VAL 101 CO 0.56 0.17 0.31 -2.24 -1.01 0.00 0.00 177.57 175.36 1rch h ASP 102 N 0.93 0.53 0.06 3.17 2.03 -1.89 0.21 116.42 121.46 1rch h ASP 102 Ca 0.47 -0.01 -0.17 0.00 -0.73 0.00 0.00 57.03 56.59 1rch h ASP 102 Cb 0.46 -0.13 -0.00 0.00 -0.83 0.00 0.00 39.33 38.82 1rch h ASP 102 CO -0.26 0.38 -0.60 -0.07 -1.03 0.00 0.00 179.24 177.66 1rch h LEU 103 N 0.63 0.61 -0.08 0.15 3.38 -1.46 -2.88 115.31 115.67 1rch h LEU 103 Ca 0.18 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1rch h LEU 103 Cb -0.06 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1rch h LEU 103 CO -0.04 1.07 -0.07 -0.50 0.09 0.00 0.00 178.44 178.98 1rch h TRP 104 N 0.41 -0.17 -0.60 1.13 -0.00 0.12 -0.94 115.95 115.90 1rch h TRP 104 Ca -0.00 0.01 0.12 0.00 -0.00 0.00 0.00 58.89 59.02 1rch h TRP 104 Cb 1.15 0.09 -0.09 0.00 -0.00 0.00 0.00 29.16 30.31 1rch h TRP 104 CO 0.05 -0.11 0.10 1.96 -0.00 0.00 0.00 178.44 180.43 1rch h GLN 105 N -0.09 0.21 -0.86 0.49 4.20 -0.46 1.65 115.11 120.26 1rch h GLN 105 Ca 0.06 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1rch h GLN 105 Cb 0.17 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 1rch h GLN 105 CO -0.13 0.14 0.57 -0.09 -0.67 0.00 0.00 178.83 178.65 1rch h ARG 106 N 0.22 1.12 0.21 1.46 9.65 -1.22 0.46 114.38 126.28 1rch h ARG 106 Ca 0.32 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.12 1rch h ARG 106 Cb 0.49 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 1rch h ARG 106 CO -0.43 0.74 -0.10 1.25 2.80 0.00 0.00 179.97 184.23 1rch h LEU 107 N 1.16 -0.24 -0.72 3.80 5.85 0.88 -1.38 115.31 124.66 1rch h LEU 107 Ca 0.31 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.90 1rch h LEU 107 Cb -0.13 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 40.90 1rch h LEU 107 CO -0.07 0.29 0.38 -0.78 -0.34 0.00 0.00 178.44 177.92 1rch h ASP 108 N -0.98 0.54 -0.20 1.25 3.58 0.24 0.88 116.42 121.72 1rch h ASP 108 Ca -0.03 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 1rch h ASP 108 Cb 0.44 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1rch h ASP 108 CO 0.05 0.32 0.03 0.00 -2.88 0.00 0.00 179.24 176.76 1rch h ALA 109 N 1.40 0.27 -0.54 -0.78 0.00 -0.17 0.18 119.26 119.61 1rch h ALA 109 Ca 0.34 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1rch h ALA 109 Cb 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1rch h ALA 109 CO -0.23 -0.06 0.26 0.00 0.00 0.00 0.00 179.25 179.23 1rch h ALA 110 N 0.83 0.70 -0.62 0.00 0.00 -0.20 -2.14 119.26 117.83 1rch h ALA 110 Ca 0.06 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1rch h ALA 110 Cb 0.32 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1rch h ALA 110 CO 0.00 0.26 0.23 -0.07 0.00 0.00 0.00 179.25 179.67 1rch h LEU 111 N 0.73 0.83 -4.56 0.00 3.38 0.95 -3.05 115.31 113.59 1rch h LEU 111 Ca 0.19 -0.12 -0.44 0.00 0.09 0.00 0.00 57.88 57.60 1rch h LEU 111 Cb 0.11 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.57 1rch h LEU 111 CO -0.02 0.76 1.10 0.61 0.09 0.00 0.00 178.44 180.98 1rch n GLY 112 N -0.98 3.88 2.05 0.83 0.00 0.60 -3.77 105.19 107.80 1rch n GLY 112 Ca 0.05 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 2.26 0.00 -3.51 1.61 1.13 -1.15 -4.94 117.38 112.79 1rch n GLN 113 Ca 0.55 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 55.39 1rch n GLN 113 Cb 0.59 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.94 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 -3.33 -0.61 -2.71 1.08 1.44 -1.25 -4.95 115.22 104.90 1rch n HIS 114 Ca 0.00 -1.96 -0.37 0.00 -2.01 0.00 0.00 57.72 53.38 1rch n HIS 114 Cb 0.00 -0.37 -0.06 0.00 0.12 0.00 0.00 29.99 29.68 1rch n HIS 114 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1rch s GLN 115 N -3.86 4.50 -0.06 -1.40 -0.21 -1.26 -4.93 119.66 112.44 1rch s GLN 115 Ca 0.24 1.40 0.06 0.00 0.02 0.00 0.00 55.36 57.08 1rch s GLN 115 Cb -0.02 -2.77 -0.01 0.00 1.00 0.00 0.00 33.01 31.21 1rch s GLN 115 CO 0.15 0.18 -0.24 0.42 -2.12 0.00 0.00 175.29 173.69 1rch s ILE 116 N -1.60 1.94 -0.37 1.08 -1.09 -1.26 -1.79 121.20 118.12 1rch s ILE 116 Ca 0.51 -1.00 0.04 0.00 -2.23 0.00 0.00 60.65 57.97 1rch s ILE 116 Cb -0.20 -1.65 0.11 0.00 -1.58 0.00 0.00 42.46 39.14 1rch s ILE 116 CO 0.26 0.54 0.09 -0.75 -1.23 0.00 0.00 174.94 173.84 1rch s LYS 117 N -0.09 1.51 -0.87 2.79 2.47 -0.94 -5.02 119.74 119.59 1rch s LYS 117 Ca -0.05 -1.95 -0.25 0.00 -1.56 0.00 0.00 55.97 52.16 1rch s LYS 117 Cb -0.14 -3.15 0.04 0.00 -1.46 0.00 0.00 37.83 33.13 1rch s LYS 117 CO 0.04 -0.97 1.35 -1.58 0.16 0.00 0.00 175.35 174.34 1rch s TRP 118 N 0.75 2.43 -0.91 4.03 0.52 -1.26 -1.44 118.94 123.06 1rch s TRP 118 Ca 0.12 -0.47 -0.17 0.00 0.02 0.00 0.00 56.10 55.60 1rch s TRP 118 Cb -0.20 -4.64 0.16 0.00 -1.15 0.00 0.00 33.47 27.64 1rch s TRP 118 CO -0.08 -1.99 1.02 -2.00 0.02 0.00 0.00 176.95 173.93 1rch s GLU 119 N 5.25 3.62 -0.66 4.98 2.12 -0.11 -4.98 118.70 128.92 1rch s GLU 119 Ca 0.40 -2.02 -0.26 0.00 0.36 0.00 0.00 54.97 53.45 1rch s GLU 119 Cb -0.04 -4.77 0.04 0.00 0.26 0.00 0.00 34.13 29.62 1rch s GLU 119 CO 0.02 -1.62 1.14 -1.58 -0.54 0.00 0.00 175.26 172.69 1rch s TRP 120 N 1.81 2.51 0.45 5.30 0.52 -1.26 -2.34 118.94 125.94 1rch s TRP 120 Ca 0.28 -0.08 0.05 0.00 0.02 0.00 0.00 56.10 56.37 1rch s TRP 120 Cb -0.06 -4.44 0.01 0.00 -1.15 0.00 0.00 33.47 27.82 1rch s TRP 120 CO -0.09 -1.78 0.63 0.14 0.02 0.00 0.00 176.95 175.88 1rch s VAL 121 N 4.93 3.18 -0.02 4.03 -7.23 -1.19 -4.99 120.40 119.11 1rch s VAL 121 Ca 0.33 -0.83 -0.27 0.00 -1.81 0.00 0.00 61.98 59.39 1rch s VAL 121 Cb -0.11 -3.12 -0.03 0.00 0.56 0.00 0.00 36.38 33.68 1rch s VAL 121 CO 0.16 -0.06 0.86 -0.54 -0.31 0.00 0.00 175.10 175.21 1rch s LYS 122 N -4.48 4.51 0.25 4.82 -0.14 -1.26 -4.04 119.74 119.41 1rch s LYS 122 Ca 0.53 1.19 -0.05 0.00 -1.36 0.00 0.00 55.97 56.29 1rch s LYS 122 Cb -0.10 -3.45 0.32 0.00 -1.68 0.00 0.00 37.83 32.92 1rch s LYS 122 CO 0.35 0.01 1.90 0.78 -0.76 0.00 0.00 175.35 177.64 1rch h GLY 123 N 6.71 1.44 0.22 -3.33 0.00 -1.96 0.98 103.07 107.14 1rch h GLY 123 Ca -0.41 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.42 1rch h GLY 123 CO 0.75 0.43 -0.07 1.12 0.00 0.00 0.00 176.54 178.77 1rch h HIS 124 N 1.26 -0.18 -1.05 5.60 2.07 -1.99 -3.31 115.15 117.55 1rch h HIS 124 Ca 0.39 -0.00 -0.54 0.00 -2.85 0.00 0.00 60.37 57.36 1rch h HIS 124 Cb -0.01 0.06 -0.16 0.00 2.57 0.00 0.00 27.41 29.87 1rch h HIS 124 CO -0.00 0.17 0.82 0.00 -3.07 0.00 0.00 177.93 175.85 1rch n ALA 125 N -2.66 6.54 -2.38 6.11 0.00 -1.16 -4.91 120.51 122.05 1rch n ALA 125 Ca -0.06 -3.25 0.00 0.00 0.00 0.00 0.00 53.44 50.14 1rch n ALA 125 Cb 0.21 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.37 1rch n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rch n GLY 126 N 1.11 1.29 3.98 0.00 0.00 0.33 -4.25 105.19 107.65 1rch n GLY 126 Ca 0.52 -2.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.32 1rch n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rch s HIS 127 N 0.81 2.97 0.18 1.61 0.09 -1.26 -5.02 115.29 114.68 1rch s HIS 127 Ca 0.00 -0.04 0.03 0.00 -0.00 0.00 0.00 55.06 55.05 1rch s HIS 127 Cb 0.00 -2.48 0.06 0.00 -0.00 0.00 0.00 32.58 30.15 1rch s HIS 127 CO 0.00 -0.56 1.42 -1.00 -0.00 0.00 0.00 174.74 174.61 1rch h PRO 128 N 0.35 0.21 -1.00 8.40 0.13 -2.00 -3.14 132.00 134.95 1rch h PRO 128 Ca -0.43 -0.20 0.13 0.00 -0.87 0.00 0.00 66.00 64.62 1rch h PRO 128 Cb 1.28 0.05 -0.09 0.00 0.13 0.00 0.00 31.00 32.37 1rch h PRO 128 CO 0.52 0.91 0.63 0.93 -0.23 0.00 0.00 178.00 180.76 1rch h GLU 129 N 0.13 0.95 -0.73 0.86 3.07 -1.99 0.64 114.58 117.51 1rch h GLU 129 Ca -0.03 -0.06 0.03 0.00 -0.50 0.00 0.00 59.36 58.80 1rch h GLU 129 Cb 1.40 -0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 29.05 1rch h GLU 129 CO 0.12 0.63 0.46 -0.91 -1.40 0.00 0.00 179.01 177.91 1rch h ASN 130 N 0.97 0.76 -0.99 1.42 -0.26 -1.93 0.16 115.58 115.71 1rch h ASN 130 Ca 0.50 -0.00 0.04 0.00 -0.56 0.00 0.00 56.30 56.28 1rch h ASN 130 Cb 0.52 -0.17 -0.06 0.00 -1.06 0.00 0.00 38.32 37.55 1rch h ASN 130 CO -0.28 0.53 0.65 -0.33 -1.06 0.00 0.00 177.43 176.94 1rch h GLU 131 N 0.91 1.20 -0.23 0.81 5.08 -0.97 -0.54 114.58 120.84 1rch h GLU 131 Ca 0.29 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.45 1rch h GLU 131 Cb 0.00 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1rch h GLU 131 CO -0.10 0.79 -0.40 -0.09 -1.00 0.00 0.00 179.01 178.21 1rch h ARG 132 N 1.24 0.54 -0.38 2.33 2.43 -0.40 -2.24 114.38 117.91 1rch h ARG 132 Ca 0.40 -0.28 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1rch h ARG 132 Cb 0.04 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1rch h ARG 132 CO -0.13 0.86 0.22 0.00 -1.51 0.00 0.00 179.97 179.40 1rch h ASP 134 N 0.45 0.63 -1.00 0.00 3.58 -0.96 -1.04 116.42 118.07 1rch h ASP 134 Ca 0.15 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.72 1rch h ASP 134 Cb 0.01 -0.13 -0.08 0.00 1.72 0.00 0.00 39.33 40.84 1rch h ASP 134 CO -0.07 0.44 0.63 -0.08 -2.88 0.00 0.00 179.24 177.28 1rch h GLU 135 N 0.76 0.98 0.05 0.28 4.81 -0.72 0.46 114.58 121.21 1rch h GLU 135 Ca 0.26 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1rch h GLU 135 Cb 0.04 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1rch h GLU 135 CO -0.11 0.65 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.72 1rch h LEU 136 N 1.01 -0.06 -0.91 1.64 3.38 -0.03 0.13 115.31 120.46 1rch h LEU 136 Ca 0.49 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.32 1rch h LEU 136 Cb 0.46 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1rch h LEU 136 CO -0.25 0.12 0.60 0.00 0.09 0.00 0.00 178.44 179.00 1rch h ALA 137 N 0.70 1.17 -0.54 1.53 0.00 -0.27 -1.67 119.26 120.17 1rch h ALA 137 Ca -0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1rch h ALA 137 Cb 0.21 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1rch h ALA 137 CO 0.01 0.53 0.03 -0.09 0.00 0.00 0.00 179.25 179.73 1rch h ARG 138 N 1.22 0.90 -0.83 0.00 2.43 0.14 0.65 114.38 118.90 1rch h ARG 138 Ca 0.34 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1rch h ARG 138 Cb -0.11 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.30 1rch h ARG 138 CO -0.08 0.88 0.51 0.00 -1.51 0.00 0.00 179.97 179.77 1rch h ALA 139 N 1.18 1.05 0.24 2.80 0.00 0.15 0.17 119.26 124.85 1rch h ALA 139 Ca 0.16 -0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.66 1rch h ALA 139 Cb 0.46 -0.33 0.03 0.00 0.00 0.00 0.00 17.79 17.95 1rch h ALA 139 CO 0.02 0.50 -1.48 0.00 0.00 0.00 0.00 179.25 178.29 1rch h ALA 140 N 1.28 -0.11 -0.92 0.00 0.00 -1.04 -2.56 119.26 115.91 1rch h ALA 140 Ca 0.30 -0.89 0.01 0.00 0.00 0.00 0.00 54.91 54.33 1rch h ALA 140 Cb -0.07 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 1rch h ALA 140 CO -0.06 0.76 0.61 0.00 0.00 0.00 0.00 179.25 180.56 1rch h ALA 141 N 0.20 1.35 0.00 0.00 0.00 0.66 0.24 119.26 121.71 1rch h ALA 141 Ca -0.25 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 1rch h ALA 141 Cb 2.15 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.55 1rch h ALA 141 CO 0.26 0.59 -0.79 0.52 0.00 0.00 0.00 179.25 179.83 1rch h MET 142 N 1.23 0.00 -2.32 0.00 2.07 -0.74 -3.39 114.93 111.79 1rch h MET 142 Ca 0.34 0.00 -0.59 0.00 -2.07 0.00 0.00 59.70 57.39 1rch h MET 142 Cb -0.12 0.00 -0.39 0.00 -1.87 0.00 0.00 31.60 29.22 1rch h MET 142 CO -0.08 0.79 -0.97 -1.71 1.07 0.00 0.00 176.91 176.02 1rch n ASN 143 N -3.38 0.12 -4.81 1.22 2.85 -0.65 -5.10 115.26 105.52 1rch n ASN 143 Ca 0.00 -2.56 -0.32 0.00 -0.11 0.00 0.00 54.58 51.59 1rch n ASN 143 Cb 0.82 -0.60 0.02 0.00 1.24 0.00 0.00 39.78 41.26 1rch n ASN 143 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1rch s PRO 144 N -0.48 3.29 -0.27 1.20 0.04 0.75 -4.53 135.00 134.99 1rch s PRO 144 Ca 0.33 1.12 0.17 0.00 0.04 0.00 0.00 61.00 62.66 1rch s PRO 144 Cb 0.07 -2.03 0.42 0.00 0.04 0.00 0.00 34.50 33.00 1rch s PRO 144 CO -0.17 -0.83 1.33 2.41 0.04 0.00 0.00 177.00 179.79 1rch n THR 145 N -2.26 0.48 -2.67 1.26 -1.04 -1.26 -4.93 114.28 103.86 1rch n THR 145 Ca 0.08 -1.66 0.00 0.00 -2.04 0.00 0.00 64.05 60.43 1rch n THR 145 Cb 0.53 1.09 0.00 0.00 -1.82 0.00 0.00 70.33 70.13 1rch n THR 145 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1rch n LEU 146 N -1.01 0.00 -3.96 -4.42 4.77 -1.26 -4.90 117.00 106.22 1rch n LEU 146 Ca -0.08 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.81 1rch n LEU 146 Cb 0.85 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.84 1rch n LEU 146 CO -0.07 0.00 -0.28 -0.70 -1.33 0.00 0.00 177.39 175.02 1rch s GLU 147 N -0.44 0.48 -0.74 3.23 2.12 -1.26 -3.80 118.70 118.28 1rch s GLU 147 Ca 0.00 -0.70 -0.27 0.00 0.36 0.00 0.00 54.97 54.36 1rch s GLU 147 Cb 0.00 0.18 0.03 0.00 0.26 0.00 0.00 34.13 34.60 1rch s GLU 147 CO 0.00 -0.10 1.32 0.34 -0.54 0.00 0.00 175.26 176.28 1rch s ASP 148 N -1.87 6.12 -1.02 -1.70 -1.08 -1.26 -4.89 116.67 110.96 1rch s ASP 148 Ca -0.09 -0.43 -0.14 0.00 -0.52 0.00 0.00 52.55 51.37 1rch s ASP 148 Cb -0.04 -2.56 0.20 0.00 -1.46 0.00 0.00 42.92 39.06 1rch s ASP 148 CO -0.03 -1.86 1.11 -0.89 0.52 0.00 0.00 175.17 174.02 1rch s THR 149 N 5.92 5.36 0.00 1.71 2.01 -1.26 -3.96 115.64 125.43 1rch s THR 149 Ca 0.37 -2.56 0.00 0.00 0.31 0.00 0.00 61.69 59.81 1rch s THR 149 Cb -0.08 -4.69 0.00 0.00 0.01 0.00 0.00 72.50 67.74 1rch s THR 149 CO 0.15 -1.33 0.00 0.61 -0.69 0.00 0.00 174.62 173.35 1rch n GLY 150 N 4.02 0.87 3.42 4.40 0.00 -1.26 -5.10 105.19 111.54 1rch n GLY 150 Ca 0.25 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1rch n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rch s TYR 151 N 0.00 3.25 0.22 1.61 5.04 -1.25 -4.88 117.35 121.34 1rch s TYR 151 Ca 0.00 -0.80 -0.16 0.00 -2.44 0.00 0.00 57.07 53.67 1rch s TYR 151 Cb 0.00 -2.81 0.01 0.00 0.35 0.00 0.00 41.96 39.52 1rch s TYR 151 CO 0.00 -0.68 0.52 -0.65 -1.34 0.00 0.00 175.55 173.40 1rch s GLN 152 N 1.64 1.48 -1.49 4.97 -0.21 -1.26 -4.96 119.66 119.83 1rch s GLN 152 Ca 0.04 -1.03 -0.10 0.00 0.02 0.00 0.00 55.36 54.29 1rch s GLN 152 Cb -0.21 0.51 0.01 0.00 1.00 0.00 0.00 33.01 34.31 1rch s GLN 152 CO 0.08 -0.63 2.56 0.28 -2.12 0.00 0.00 175.29 175.46 1rch n VAL 153 N -0.36 4.27 0.18 1.09 0.31 -1.26 -3.74 118.33 118.82 1rch n VAL 153 Ca -0.06 -3.20 0.00 0.00 -0.01 0.00 0.00 64.34 61.07 1rch n VAL 153 Cb 0.62 -2.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 1rch n VAL 153 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1rch n GLU 154 N 3.91 0.00 0.00 5.55 1.02 -1.26 -5.32 120.64 124.54 1rch n GLU 154 Ca 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 1rch n GLU 154 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.71 1rch n GLU 154 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59