#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 3.98 -1.12 -0.89 1.43 -1.26 -4.94 118.68 115.88 1rch s LEU 2 Ca 0.00 0.08 -0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1rch s LEU 2 Cb 0.00 -3.17 0.27 0.00 0.03 0.00 0.00 46.19 43.32 1rch s LEU 2 CO 0.00 -1.09 1.71 0.29 0.23 0.00 0.00 176.35 177.48 1rch n LYS 3 N 7.27 4.59 -3.52 1.70 4.76 -1.26 -3.93 118.16 127.77 1rch n LYS 3 Ca 0.06 -4.33 -0.17 0.00 -2.87 0.00 0.00 58.31 51.00 1rch n LYS 3 Cb 0.48 -2.58 -0.06 0.00 -1.84 0.00 0.00 35.03 31.04 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 -2.52 1.07 0.01 1.97 2.00 -1.26 -5.02 119.66 115.90 1rch s GLN 4 Ca 0.36 0.14 -0.23 0.00 -2.00 0.00 0.00 55.36 53.64 1rch s GLN 4 Cb 0.10 0.50 -0.05 0.00 0.80 0.00 0.00 33.01 34.36 1rch s GLN 4 CO 0.02 -0.35 0.69 0.08 -0.50 0.00 0.00 175.29 175.23 1rch s VAL 5 N -1.52 4.85 -0.01 1.34 1.01 -1.21 -4.29 120.40 120.57 1rch s VAL 5 Ca -0.10 1.45 0.05 0.00 0.00 0.00 0.00 61.98 63.38 1rch s VAL 5 Cb -0.00 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 1rch s VAL 5 CO 0.07 0.37 -0.17 -1.61 0.00 0.00 0.00 175.10 173.75 1rch s GLU 6 N 0.03 1.39 -0.42 2.72 2.02 -0.83 -1.82 118.70 121.79 1rch s GLU 6 Ca 0.35 -0.62 0.02 0.00 0.02 0.00 0.00 54.97 54.75 1rch s GLU 6 Cb -0.19 -1.35 0.15 0.00 0.10 0.00 0.00 34.13 32.84 1rch s GLU 6 CO 0.20 0.37 0.28 0.42 0.02 0.00 0.00 175.26 176.55 1rch s ILE 7 N -0.41 0.68 -0.62 -1.63 1.01 -0.91 -1.90 121.20 117.44 1rch s ILE 7 Ca 0.07 -2.38 -0.24 0.00 0.00 0.00 0.00 60.65 58.09 1rch s ILE 7 Cb -0.07 -1.48 0.05 0.00 0.01 0.00 0.00 42.46 40.97 1rch s ILE 7 CO -0.01 -1.05 1.01 -0.36 0.00 0.00 0.00 174.94 174.53 1rch s PHE 8 N 0.41 2.67 0.38 3.97 0.08 -1.05 -2.20 117.98 122.24 1rch s PHE 8 Ca 0.23 -0.19 -0.19 0.00 0.12 0.00 0.00 56.93 56.90 1rch s PHE 8 Cb -0.13 -4.25 -0.10 0.00 -0.57 0.00 0.00 43.02 37.97 1rch s PHE 8 CO -0.07 -1.57 0.86 0.95 -0.10 0.00 0.00 175.22 175.29 1rch s THR 9 N 4.28 4.50 -0.41 0.64 -4.23 -1.08 -2.02 115.64 117.32 1rch s THR 9 Ca 0.29 1.29 0.07 0.00 -1.18 0.00 0.00 61.69 62.16 1rch s THR 9 Cb -0.13 -3.63 0.18 0.00 1.34 0.00 0.00 72.50 70.26 1rch s THR 9 CO 0.16 -0.23 0.64 1.51 -0.54 0.00 0.00 174.62 176.16 1rch s ASP 10 N -2.18 -1.50 0.44 3.99 -4.77 -0.12 -4.88 116.67 107.65 1rch s ASP 10 Ca 0.58 -0.75 -0.06 0.00 -3.30 0.00 0.00 52.55 49.02 1rch s ASP 10 Cb -0.10 1.92 -0.04 0.00 -1.09 0.00 0.00 42.92 43.61 1rch s ASP 10 CO 0.15 -0.17 0.74 -0.83 0.70 0.00 0.00 175.17 175.77 1rch s GLY 11 N 1.86 1.62 -0.24 2.12 0.00 -1.26 -1.72 107.32 109.71 1rch s GLY 11 Ca 0.16 -0.47 -0.10 0.00 0.00 0.00 0.00 44.72 44.30 1rch s GLY 11 CO -0.07 -0.32 0.54 -0.45 0.00 0.00 0.00 173.10 172.80 1rch s SER 12 N -3.80 -0.70 -0.03 1.64 0.15 -0.86 -4.89 113.70 105.21 1rch s SER 12 Ca 0.47 1.24 0.01 0.00 0.70 0.00 0.00 55.95 58.38 1rch s SER 12 Cb -0.10 1.49 0.01 0.00 -1.71 0.00 0.00 66.02 65.71 1rch s SER 12 CO 0.40 -0.22 -0.05 0.00 1.20 0.00 0.00 173.24 174.57 1rch h LEU 14 N 6.70 0.11 0.00 0.00 3.38 -1.68 -3.47 115.31 120.35 1rch h LEU 14 Ca -0.35 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1rch h LEU 14 Cb 1.16 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1rch h LEU 14 CO 0.49 1.07 0.00 0.61 0.09 0.00 0.00 178.44 180.70 1rch n GLY 15 N 1.32 6.33 2.72 0.83 0.00 -1.26 -4.96 105.19 110.17 1rch n GLY 15 Ca -0.02 -1.79 -0.04 0.00 0.00 0.00 0.00 46.02 44.17 1rch n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rch n ASN 16 N 0.00 -2.51 -4.58 1.61 5.15 -1.26 -4.16 115.26 109.51 1rch n ASN 16 Ca 0.00 -2.18 -0.29 0.00 -0.60 0.00 0.00 54.58 51.51 1rch n ASN 16 Cb 0.00 1.32 0.15 0.00 -0.53 0.00 0.00 39.78 40.73 1rch n ASN 16 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1rch s PRO 17 N 0.82 0.78 -0.08 1.20 0.04 -1.26 -5.07 135.00 131.43 1rch s PRO 17 Ca 0.28 0.15 -0.32 0.00 0.04 0.00 0.00 61.00 61.15 1rch s PRO 17 Cb 0.09 -1.81 0.13 0.00 0.04 0.00 0.00 34.50 32.95 1rch s PRO 17 CO -0.10 -2.41 1.40 0.20 0.04 0.00 0.00 177.00 176.13 1rch s GLY 18 N -4.13 -0.41 0.12 0.56 0.00 0.25 -4.89 107.32 98.82 1rch s GLY 18 Ca 0.66 0.71 -0.30 0.00 0.00 0.00 0.00 44.72 45.79 1rch s GLY 18 CO 0.54 1.87 1.14 2.56 0.00 0.00 0.00 173.10 179.20 1rch s PRO 19 N -2.07 4.52 0.00 2.90 0.04 -1.25 -0.66 135.00 138.48 1rch s PRO 19 Ca 0.19 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1rch s PRO 19 Cb 0.05 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1rch s PRO 19 CO -0.05 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.32 1rch n GLY 20 N 2.55 2.21 3.83 0.56 0.00 -1.18 -2.12 105.19 111.03 1rch n GLY 20 Ca 0.05 -0.62 -0.07 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.29 0.00 -0.37 -0.02 0.00 -0.40 0.60 107.32 106.85 1rch s GLY 21 Ca 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 44.72 44.35 1rch s GLY 21 CO 0.00 -0.16 0.11 -2.52 0.00 0.00 0.00 173.10 170.53 1rch s TYR 22 N -3.89 3.02 0.25 1.90 1.13 -1.21 -2.03 117.35 116.52 1rch s TYR 22 Ca 0.13 -2.67 -0.18 0.00 -1.41 0.00 0.00 57.07 52.94 1rch s TYR 22 Cb -0.05 -2.53 -0.08 0.00 -1.10 0.00 0.00 41.96 38.20 1rch s TYR 22 CO 0.07 -0.89 0.71 0.20 -2.51 0.00 0.00 175.55 173.14 1rch s GLY 23 N 0.86 2.52 -0.29 5.49 0.00 -0.70 -3.73 107.32 111.47 1rch s GLY 23 Ca 0.12 0.11 -0.09 0.00 0.00 0.00 0.00 44.72 44.86 1rch s GLY 23 CO -0.10 0.41 0.63 0.00 0.00 0.00 0.00 173.10 174.04 1rch s ALA 24 N -1.65 -2.03 -0.40 3.20 0.00 0.14 -0.95 121.76 120.07 1rch s ALA 24 Ca 0.46 2.23 -0.27 0.00 0.00 0.00 0.00 51.96 54.39 1rch s ALA 24 Cb -0.15 -1.81 0.02 0.00 0.00 0.00 0.00 23.12 21.18 1rch s ALA 24 CO 0.20 -0.98 0.97 0.42 0.00 0.00 0.00 175.76 176.37 1rch s ILE 25 N 2.88 4.49 0.10 0.00 1.01 -0.86 -0.66 121.20 128.16 1rch s ILE 25 Ca -0.02 1.15 -0.02 0.00 0.00 0.00 0.00 60.65 61.76 1rch s ILE 25 Cb -0.12 -4.41 -0.05 0.00 0.01 0.00 0.00 42.46 37.89 1rch s ILE 25 CO -0.19 -0.67 0.28 -0.22 0.00 0.00 0.00 174.94 174.14 1rch s LEU 26 N 3.71 4.32 -0.41 2.97 2.96 0.22 -2.52 118.68 129.93 1rch s LEU 26 Ca 0.40 0.38 0.01 0.00 -0.22 0.00 0.00 54.13 54.71 1rch s LEU 26 Cb -0.11 -3.09 0.13 0.00 0.50 0.00 0.00 46.19 43.62 1rch s LEU 26 CO 0.22 0.11 0.21 -0.60 -1.32 0.00 0.00 176.35 174.97 1rch s ARG 27 N -2.64 1.13 -0.22 1.98 3.52 -0.80 0.10 118.95 122.02 1rch s ARG 27 Ca 0.37 -1.79 -0.05 0.00 -0.13 0.00 0.00 55.73 54.13 1rch s ARG 27 Cb -0.12 -2.19 -0.02 0.00 -1.56 0.00 0.00 34.95 31.05 1rch s ARG 27 CO 0.27 -1.14 -0.00 -0.47 -0.81 0.00 0.00 175.30 173.15 1rch s TYR 28 N 0.63 3.01 0.00 5.12 5.04 -0.62 -1.96 117.35 128.57 1rch s TYR 28 Ca 0.16 -0.62 0.00 0.00 -2.44 0.00 0.00 57.07 54.17 1rch s TYR 28 Cb -0.23 -2.12 0.00 0.00 0.35 0.00 0.00 41.96 39.96 1rch s TYR 28 CO -0.03 -0.37 0.00 0.54 -1.34 0.00 0.00 175.55 174.34 1rch n ARG 29 N 4.56 0.00 -0.26 4.97 5.12 -1.26 -2.32 116.66 127.47 1rch n ARG 29 Ca -0.17 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 55.71 1rch n ARG 29 Cb 0.51 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.86 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 0.00 2.43 2.90 -0.13 0.00 -1.25 -4.66 105.19 104.47 1rch n GLY 30 Ca 0.00 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.83 0.94 0.09 1.61 0.52 -0.98 -5.00 118.95 115.30 1rch s ARG 31 Ca 0.12 -0.13 -0.20 0.00 -0.52 0.00 0.00 55.73 55.01 1rch s ARG 31 Cb 0.10 -0.95 -0.07 0.00 0.52 0.00 0.00 34.95 34.55 1rch s ARG 31 CO 0.03 -0.10 0.59 -2.00 0.02 0.00 0.00 175.30 173.84 1rch s GLU 32 N 1.02 4.24 0.37 3.54 2.12 -1.26 -1.60 118.70 127.13 1rch s GLU 32 Ca -0.09 0.78 0.03 0.00 0.36 0.00 0.00 54.97 56.05 1rch s GLU 32 Cb -0.14 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 30.98 1rch s GLU 32 CO -0.00 0.63 0.11 0.15 -0.54 0.00 0.00 175.26 175.60 1rch s LYS 33 N -1.15 1.79 -0.04 4.30 1.02 0.11 -4.94 119.74 120.84 1rch s LYS 33 Ca 0.30 -2.05 -0.09 0.00 0.02 0.00 0.00 55.97 54.14 1rch s LYS 33 Cb -0.20 -0.64 0.02 0.00 -0.52 0.00 0.00 37.83 36.49 1rch s LYS 33 CO 0.20 -0.38 0.22 0.99 -0.92 0.00 0.00 175.35 175.46 1rch s THR 34 N -3.30 0.04 -0.30 2.17 2.01 -1.26 0.70 115.64 115.70 1rch s THR 34 Ca 0.29 -0.35 -0.03 0.00 0.31 0.00 0.00 61.69 61.91 1rch s THR 34 Cb 0.05 -0.43 0.10 0.00 0.01 0.00 0.00 72.50 72.23 1rch s THR 34 CO 0.15 -0.19 0.12 -0.36 -0.69 0.00 0.00 174.62 173.65 1rch s PHE 35 N -0.73 0.83 -0.39 4.92 0.40 0.16 -4.92 117.98 118.24 1rch s PHE 35 Ca -0.08 -1.20 0.03 0.00 -0.60 0.00 0.00 56.93 55.07 1rch s PHE 35 Cb -0.05 -1.19 0.16 0.00 0.51 0.00 0.00 43.02 42.45 1rch s PHE 35 CO 0.02 -0.85 0.32 0.45 0.70 0.00 0.00 175.22 175.86 1rch s SER 36 N 1.90 1.74 0.59 1.36 0.15 -1.24 -0.69 113.70 117.51 1rch s SER 36 Ca 0.09 -2.52 -0.01 0.00 0.70 0.00 0.00 55.95 54.21 1rch s SER 36 Cb -0.17 -0.17 0.06 0.00 -1.71 0.00 0.00 66.02 64.04 1rch s SER 36 CO -0.32 -0.22 0.41 0.00 1.20 0.00 0.00 173.24 174.31 1rch n ALA 37 N 3.42 -0.03 -2.59 5.45 0.00 -1.25 -4.73 120.51 120.78 1rch n ALA 37 Ca 0.21 -0.76 -0.27 0.00 0.00 0.00 0.00 53.44 52.63 1rch n ALA 37 Cb 0.44 0.10 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 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 -3.56 2.48 0.04 0.00 0.00 -1.26 -3.30 107.32 101.71 1rch s GLY 38 Ca 0.27 -1.85 -0.15 0.00 0.00 0.00 0.00 44.72 42.99 1rch s GLY 38 CO 0.18 -2.01 0.33 -0.19 0.00 0.00 0.00 173.10 171.40 1rch s TYR 39 N -2.94 -0.15 -0.08 1.90 2.02 0.20 -4.37 117.35 113.93 1rch s TYR 39 Ca 0.30 0.05 0.11 0.00 -0.37 0.00 0.00 57.07 57.16 1rch s TYR 39 Cb 0.08 0.12 -0.24 0.00 -0.40 0.00 0.00 41.96 41.52 1rch s TYR 39 CO 0.15 -0.51 0.51 0.25 -1.57 0.00 0.00 175.55 174.38 1rch n THR 40 N 0.63 1.59 -3.34 -0.71 -2.24 -1.26 -3.11 114.28 105.85 1rch n THR 40 Ca -0.19 -0.78 -0.04 0.00 -2.27 0.00 0.00 64.05 60.77 1rch n THR 40 Cb 0.59 -1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 67.73 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 -2.57 0.44 0.21 -0.78 3.52 -1.26 -3.84 118.95 114.67 1rch s ARG 41 Ca -0.08 0.82 -0.22 0.00 -0.13 0.00 0.00 55.73 56.11 1rch s ARG 41 Cb 0.08 0.07 0.05 0.00 -1.56 0.00 0.00 34.95 33.58 1rch s ARG 41 CO 0.81 -0.56 0.66 -0.08 -0.81 0.00 0.00 175.30 175.33 1rch s THR 42 N 2.69 0.00 0.40 4.11 -1.32 0.17 -4.89 115.64 116.79 1rch s THR 42 Ca 0.13 -0.47 0.08 0.00 -1.21 0.00 0.00 61.69 60.21 1rch s THR 42 Cb -0.15 -1.48 -0.00 0.00 -1.51 0.00 0.00 72.50 69.36 1rch s THR 42 CO -0.17 0.00 0.49 0.42 -2.21 0.00 0.00 174.62 173.15 1rch s THR 43 N -3.81 3.20 0.12 5.08 -4.23 -1.26 0.86 115.64 115.59 1rch s THR 43 Ca 0.06 -1.09 -0.14 0.00 -1.18 0.00 0.00 61.69 59.33 1rch s THR 43 Cb -0.03 -3.10 -0.04 0.00 1.34 0.00 0.00 72.50 70.67 1rch s THR 43 CO -0.03 -0.05 1.52 -1.13 -0.54 0.00 0.00 174.62 174.38 1rch h ASN 44 N 0.81 0.75 -0.36 3.99 -0.00 -1.92 -2.54 115.58 116.31 1rch h ASN 44 Ca -0.42 -0.37 -0.05 0.00 -0.00 0.00 0.00 56.30 55.46 1rch h ASN 44 Cb 1.27 -0.20 -0.01 0.00 -0.00 0.00 0.00 38.32 39.37 1rch h ASN 44 CO 0.50 0.95 0.04 0.78 -0.00 0.00 0.00 177.43 179.69 1rch h ASN 45 N 0.53 0.58 -0.98 1.15 -0.26 -1.97 -2.58 115.58 112.05 1rch h ASN 45 Ca 0.09 -0.28 0.11 0.00 -0.56 0.00 0.00 56.30 55.67 1rch h ASN 45 Cb 0.63 -0.16 -0.08 0.00 -1.06 0.00 0.00 38.32 37.66 1rch h ASN 45 CO 0.04 0.72 0.62 0.03 -1.06 0.00 0.00 177.43 177.78 1rch h ARG 46 N 0.43 0.95 0.59 0.81 3.08 -1.95 -1.59 114.38 116.70 1rch h ARG 46 Ca 0.11 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1rch h ARG 46 Cb 0.40 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1rch h ARG 46 CO 0.01 0.63 -0.38 0.52 -1.07 0.00 0.00 179.97 179.69 1rch h MET 47 N 0.98 -0.88 -0.78 0.04 2.86 -1.06 0.29 114.93 116.37 1rch h MET 47 Ca 0.48 0.06 0.18 0.00 -2.06 0.00 0.00 59.70 58.35 1rch h MET 47 Cb 0.46 0.20 -0.12 0.00 0.06 0.00 0.00 31.60 32.20 1rch h MET 47 CO -0.24 -0.59 0.21 0.93 1.06 0.00 0.00 176.91 178.29 1rch h GLU 48 N -0.92 0.27 0.38 1.72 5.08 -1.20 0.11 114.58 120.03 1rch h GLU 48 Ca -0.07 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1rch h GLU 48 Cb 0.75 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1rch h GLU 48 CO 0.06 0.18 -0.29 -0.07 -1.00 0.00 0.00 179.01 177.89 1rch h LEU 49 N 0.28 -0.77 -1.26 1.33 3.38 -0.78 -2.06 115.31 115.43 1rch h LEU 49 Ca 0.46 0.05 0.40 0.00 0.09 0.00 0.00 57.88 58.88 1rch h LEU 49 Cb 0.81 0.24 -0.14 0.00 0.09 0.00 0.00 40.66 41.66 1rch h LEU 49 CO -0.54 -0.42 0.74 -0.03 0.09 0.00 0.00 178.44 178.28 1rch h MET 50 N -0.65 0.12 0.72 1.13 4.05 0.81 0.88 114.93 121.99 1rch h MET 50 Ca -0.05 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.33 1rch h MET 50 Cb 0.54 -0.03 0.01 0.00 -0.80 0.00 0.00 31.60 31.32 1rch h MET 50 CO 0.01 0.08 -0.35 0.00 0.23 0.00 0.00 176.91 176.89 1rch h ALA 51 N 1.72 -1.20 -0.57 0.39 0.00 -0.29 0.64 119.26 119.95 1rch h ALA 51 Ca 0.80 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.47 1rch h ALA 51 Cb 2.31 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 20.44 1rch h ALA 51 CO -0.51 -1.13 0.22 0.00 0.00 0.00 0.00 179.25 177.83 1rch h ALA 52 N -1.51 1.32 0.42 0.00 0.00 -0.17 -1.60 119.26 117.73 1rch h ALA 52 Ca -0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1rch h ALA 52 Cb 0.74 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1rch h ALA 52 CO 0.16 0.50 -0.20 0.82 0.00 0.00 0.00 179.25 180.53 1rch h ILE 53 N 0.81 0.20 -0.16 0.00 2.04 0.78 -2.12 117.51 119.06 1rch h ILE 53 Ca 0.19 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 1rch h ILE 53 Cb 0.17 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1rch h ILE 53 CO -0.02 0.04 0.09 0.58 0.00 0.00 0.00 178.15 178.84 1rch h VAL 54 N -1.09 1.05 0.62 1.67 2.07 0.30 0.16 116.25 121.03 1rch h VAL 54 Ca -0.06 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1rch h VAL 54 Cb 0.51 0.84 0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1rch h VAL 54 CO 0.10 0.05 -0.30 0.00 0.02 0.00 0.00 177.57 177.44 1rch h ALA 55 N 1.88 -0.83 0.07 1.67 0.00 -1.27 0.83 119.26 121.62 1rch h ALA 55 Ca 0.06 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1rch h ALA 55 Cb 0.00 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1rch h ALA 55 CO -0.01 -0.96 -0.10 -0.07 0.00 0.00 0.00 179.25 178.10 1rch h LEU 56 N -0.83 -0.28 -1.02 0.00 3.38 -0.49 -2.36 115.31 113.72 1rch h LEU 56 Ca -0.08 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1rch h LEU 56 Cb 0.64 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1rch h LEU 56 CO 0.14 -0.15 0.38 -0.33 0.09 0.00 0.00 178.44 178.56 1rch h GLU 57 N -0.21 1.07 -0.86 1.13 3.07 -0.69 -1.74 114.58 116.35 1rch h GLU 57 Ca 0.01 -0.14 0.12 0.00 -0.50 0.00 0.00 59.36 58.85 1rch h GLU 57 Cb 0.22 -0.20 -0.06 0.00 -0.84 0.00 0.00 28.75 27.86 1rch h GLU 57 CO -0.05 0.82 0.56 0.00 -1.40 0.00 0.00 179.01 178.93 1rch h ALA 58 N 1.34 1.76 -1.68 3.43 0.00 0.12 -3.42 119.26 120.81 1rch h ALA 58 Ca 0.26 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.54 1rch h ALA 58 Cb 0.08 -0.16 0.10 0.00 0.00 0.00 0.00 17.79 17.82 1rch h ALA 58 CO -0.04 0.04 0.02 1.28 0.00 0.00 0.00 179.25 180.55 1rch n LEU 59 N -4.53 1.02 -1.86 0.00 4.77 -0.66 -4.84 117.00 110.90 1rch n LEU 59 Ca 0.15 1.16 -0.09 0.00 -0.03 0.00 0.00 56.01 57.20 1rch n LEU 59 Cb 0.38 -1.19 0.23 0.00 -2.33 0.00 0.00 43.42 40.51 1rch n LEU 59 CO 0.31 -1.73 0.99 0.29 -1.33 0.00 0.00 177.39 175.92 1rch n LYS 60 N 1.06 2.95 0.00 3.23 4.76 -1.26 -4.84 118.16 124.06 1rch n LYS 60 Ca 0.13 -2.53 0.00 0.00 -2.87 0.00 0.00 58.31 53.04 1rch n LYS 60 Cb 0.28 -2.04 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 1rch n LYS 60 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1rch n GLU 61 N -0.28 0.00 -2.30 1.97 1.02 -1.26 -5.10 120.64 114.69 1rch n GLU 61 Ca 0.38 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 57.12 1rch n GLU 61 Cb 1.29 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.68 1rch n GLU 61 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1rch s HIS 62 N 0.00 2.04 0.32 -0.32 3.76 -1.26 -4.93 115.29 114.90 1rch s HIS 62 Ca 0.00 0.44 0.04 0.00 -0.15 0.00 0.00 55.06 55.39 1rch s HIS 62 Cb 0.00 -4.34 -0.03 0.00 1.11 0.00 0.00 32.58 29.31 1rch s HIS 62 CO 0.00 -2.16 0.19 0.00 -0.85 0.00 0.00 174.74 171.91 1rch n GLU 64 N -0.62 0.95 -3.81 0.00 1.02 -1.26 -4.55 120.64 112.37 1rch n GLU 64 Ca 0.02 0.33 -0.18 0.00 -0.02 0.00 0.00 57.16 57.31 1rch n GLU 64 Cb 0.64 -1.60 -0.17 0.00 -0.02 0.00 0.00 31.44 30.29 1rch n GLU 64 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1rch s VAL 65 N -1.00 0.07 -0.26 2.62 1.01 -0.95 -3.33 120.40 118.56 1rch s VAL 65 Ca 0.61 0.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.72 1rch s VAL 65 Cb -0.78 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1rch s VAL 65 CO 0.58 0.15 0.07 -0.51 0.00 0.00 0.00 175.10 175.39 1rch s ILE 66 N 1.40 4.12 -0.17 2.22 2.07 -0.76 -1.94 121.20 128.14 1rch s ILE 66 Ca -0.05 -0.38 -0.08 0.00 -1.41 0.00 0.00 60.65 58.73 1rch s ILE 66 Cb -0.13 -2.99 -0.04 0.00 0.13 0.00 0.00 42.46 39.43 1rch s ILE 66 CO -0.03 0.25 0.10 -0.22 -1.91 0.00 0.00 174.94 173.14 1rch s LEU 67 N 1.57 4.08 -0.10 8.50 0.20 -0.69 -2.13 118.68 130.11 1rch s LEU 67 Ca 0.05 0.23 0.03 0.00 0.69 0.00 0.00 54.13 55.13 1rch s LEU 67 Cb -0.16 -2.03 0.01 0.00 -0.43 0.00 0.00 46.19 43.58 1rch s LEU 67 CO 0.03 0.24 -0.20 -0.44 -0.29 0.00 0.00 176.35 175.68 1rch s SER 68 N -0.02 2.76 0.03 3.68 0.01 -0.93 -0.45 113.70 118.77 1rch s SER 68 Ca 0.08 -0.50 -0.05 0.00 1.31 0.00 0.00 55.95 56.79 1rch s SER 68 Cb -0.12 -1.26 0.02 0.00 0.21 0.00 0.00 66.02 64.87 1rch s SER 68 CO 0.00 0.11 0.24 1.07 0.41 0.00 0.00 173.24 175.07 1rch n THR 69 N 3.73 0.00 -2.32 1.44 5.66 -1.04 -2.63 114.28 119.13 1rch n THR 69 Ca -0.20 -0.11 -0.03 0.00 -3.05 0.00 0.00 64.05 60.66 1rch n THR 69 Cb 0.52 0.17 -0.00 0.00 -1.55 0.00 0.00 70.33 69.47 1rch n THR 69 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1rch n ASP 70 N -0.67 -0.40 -4.74 1.09 5.75 -1.26 -2.21 116.55 114.10 1rch n ASP 70 Ca -0.00 -2.04 -0.41 0.00 -0.01 0.00 0.00 54.79 52.33 1rch n ASP 70 Cb 0.13 0.17 -0.05 0.00 -1.03 0.00 0.00 41.12 40.34 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 -1.50 7.49 0.06 -1.12 0.15 -1.26 -4.90 113.70 112.61 1rch s SER 71 Ca 0.12 1.98 -0.01 0.00 0.70 0.00 0.00 55.95 58.74 1rch s SER 71 Cb 0.20 -2.61 -0.26 0.00 -1.71 0.00 0.00 66.02 61.65 1rch s SER 71 CO -0.07 -0.01 1.05 -0.61 1.20 0.00 0.00 173.24 174.80 1rch h GLN 72 N 4.67 0.19 -0.74 5.44 4.15 -2.00 -2.70 115.11 124.13 1rch h GLN 72 Ca -0.45 -0.33 -0.05 0.00 0.77 0.00 0.00 58.65 58.60 1rch h GLN 72 Cb 1.21 0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.99 1rch h GLN 72 CO 0.70 1.10 0.28 -0.92 -1.93 0.00 0.00 178.83 178.05 1rch h TYR 73 N 0.05 1.14 0.22 3.99 3.20 -1.98 -1.13 116.97 122.46 1rch h TYR 73 Ca -0.15 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.62 1rch h TYR 73 Cb 1.95 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.88 1rch h TYR 73 CO 0.05 0.88 -0.11 0.28 -1.64 0.00 0.00 178.16 177.61 1rch h VAL 74 N 1.08 0.55 -0.66 1.81 2.07 -1.96 0.70 116.25 119.85 1rch h VAL 74 Ca 0.25 -0.98 0.12 0.00 0.82 0.00 0.00 66.70 66.91 1rch h VAL 74 Cb 0.24 0.93 -0.12 0.00 -1.52 0.00 0.00 31.29 30.81 1rch h VAL 74 CO -0.02 0.14 -0.27 -0.09 0.02 0.00 0.00 177.57 177.36 1rch h ARG 75 N -0.96 -0.09 0.34 1.57 2.43 -1.45 0.69 114.38 116.92 1rch h ARG 75 Ca -0.03 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1rch h ARG 75 Cb 0.47 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1rch h ARG 75 CO 0.05 -0.06 -0.16 1.96 -1.51 0.00 0.00 179.97 180.25 1rch h GLN 76 N -0.09 -0.44 -1.54 0.20 4.20 -1.29 -2.05 115.11 114.09 1rch h GLN 76 Ca 0.28 0.03 0.49 0.00 0.06 0.00 0.00 58.65 59.51 1rch h GLN 76 Cb 0.54 0.10 -0.11 0.00 0.30 0.00 0.00 27.48 28.31 1rch h GLN 76 CO -0.71 -0.29 1.04 0.78 -0.67 0.00 0.00 178.83 178.97 1rch h GLY 77 N -0.95 0.87 0.00 3.46 0.00 0.87 0.97 103.07 108.29 1rch h GLY 77 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1rch h GLY 77 CO 0.08 -0.29 -0.09 -2.22 0.00 0.00 0.00 176.54 174.02 1rch h ILE 78 N 0.03 0.00 -0.79 2.60 1.08 0.35 -0.25 117.51 120.53 1rch h ILE 78 Ca 0.87 -0.31 -0.49 0.00 -0.39 0.00 0.00 64.86 64.54 1rch h ILE 78 Cb 3.01 0.00 -0.20 0.00 -3.07 0.00 0.00 36.82 36.56 1rch h ILE 78 CO -0.29 0.00 0.62 0.35 -0.69 0.00 0.00 178.15 178.14 1rch n THR 79 N -2.94 3.18 0.02 -0.27 -2.24 -0.77 -2.20 114.28 109.06 1rch n THR 79 Ca -0.01 -2.36 0.00 0.00 -2.27 0.00 0.00 64.05 59.41 1rch n THR 79 Cb 0.05 -1.29 0.00 0.00 -2.10 0.00 0.00 70.33 66.99 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 -0.12 0.00 0.03 -0.78 0.00 0.33 -4.83 117.38 112.01 1rch n GLN 80 Ca 0.45 0.00 -0.19 0.00 -0.00 0.00 0.00 57.00 57.25 1rch n GLN 80 Cb 0.59 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 30.69 1rch n GLN 80 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1rch h TRP 81 N 0.00 0.48 0.03 3.69 6.55 -1.12 -3.29 115.95 122.28 1rch h TRP 81 Ca 0.00 -0.35 -0.28 0.00 0.95 0.00 0.00 58.89 59.21 1rch h TRP 81 Cb 0.00 -0.02 -0.04 0.00 -0.86 0.00 0.00 29.16 28.24 1rch h TRP 81 CO 0.00 1.60 -1.55 0.82 -1.05 0.00 0.00 178.44 178.25 1rch h ILE 82 N 0.07 1.06 -0.53 1.49 2.04 -0.89 -0.32 117.51 120.43 1rch h ILE 82 Ca -0.36 -2.85 0.06 0.00 1.00 0.00 0.00 64.86 62.72 1rch h ILE 82 Cb 2.05 2.57 -0.03 0.00 -0.74 0.00 0.00 36.82 40.66 1rch h ILE 82 CO 0.12 0.67 0.36 -0.74 0.00 0.00 0.00 178.15 178.56 1rch h HIS 83 N 0.01 0.49 0.00 1.37 2.76 -1.59 0.51 115.15 118.70 1rch h HIS 83 Ca -0.23 0.01 -0.35 0.00 -2.20 0.00 0.00 60.37 57.61 1rch h HIS 83 Cb 1.96 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 30.71 1rch h HIS 83 CO 0.01 0.26 -1.93 0.09 -1.30 0.00 0.00 177.93 175.06 1rch n ASN 84 N -4.47 1.92 -0.02 3.26 3.02 -1.24 -4.06 115.26 113.66 1rch n ASN 84 Ca 0.07 0.38 -0.09 0.00 -0.03 0.00 0.00 54.58 54.91 1rch n ASN 84 Cb 0.24 -0.88 -0.03 0.00 -0.61 0.00 0.00 39.78 38.51 1rch n ASN 84 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1rch h TRP 85 N -1.00 -0.68 0.00 3.10 6.55 -1.01 0.34 115.95 123.25 1rch h TRP 85 Ca -0.52 0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.35 1rch h TRP 85 Cb 1.44 0.33 0.00 0.00 -0.86 0.00 0.00 29.16 30.07 1rch h TRP 85 CO -0.03 -0.33 0.00 1.17 -1.05 0.00 0.00 178.44 178.19 1rch n LYS 86 N -5.38 0.00 -0.16 0.49 4.81 0.17 0.89 118.16 118.97 1rch n LYS 86 Ca -0.02 0.78 -0.03 0.00 -0.87 0.00 0.00 58.31 58.17 1rch n LYS 86 Cb 0.29 -1.49 0.05 0.00 0.02 0.00 0.00 35.03 33.90 1rch n LYS 86 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1rch h LYS 87 N 0.00 0.04 -1.00 1.64 1.57 -1.66 0.76 116.57 117.93 1rch h LYS 87 Ca 0.00 -0.00 0.29 0.00 -1.87 0.00 0.00 60.65 59.07 1rch h LYS 87 Cb 0.00 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1rch h LYS 87 CO 0.00 0.03 0.75 0.00 -0.57 0.00 0.00 179.45 179.66 1rch h ARG 88 N 0.05 0.00 0.00 3.15 3.08 0.34 -3.44 114.38 117.56 1rch h ARG 88 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1rch h ARG 88 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1rch h ARG 88 CO -0.48 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 178.83 1rch n GLY 89 N -1.72 1.10 3.59 0.04 0.00 0.26 -4.65 105.19 103.81 1rch n GLY 89 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.04 -2.03 -4.36 1.61 7.02 0.26 -4.97 117.44 114.91 1rch n TRP 90 Ca 0.00 0.66 -0.21 0.00 -1.02 0.00 0.00 57.50 56.93 1rch n TRP 90 Cb 0.00 -3.86 -0.07 0.00 -2.42 0.00 0.00 31.31 24.96 1rch n TRP 90 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1rch n LYS 91 N -3.99 0.49 0.03 -0.99 5.02 -1.22 -4.63 118.16 112.88 1rch n LYS 91 Ca -0.15 -3.10 0.00 0.00 -2.02 0.00 0.00 58.31 53.04 1rch n LYS 91 Cb 0.62 2.09 0.00 0.00 -0.02 0.00 0.00 35.03 37.73 1rch n LYS 91 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1rch n THR 92 N -0.72 0.28 0.00 -0.18 -2.24 -1.21 -4.58 114.28 105.63 1rch n THR 92 Ca 0.01 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1rch n THR 92 Cb 0.56 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 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 -3.06 0.82 -1.67 6.98 0.00 -1.26 -4.95 120.51 117.37 1rch n ALA 93 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1rch n ALA 93 Cb 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.60 1rch n ALA 93 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1rch n ASP 94 N -2.01 7.45 -2.78 0.00 2.03 -1.26 -4.65 116.55 115.34 1rch n ASP 94 Ca 0.00 -3.03 -0.11 0.00 0.52 0.00 0.00 54.79 52.18 1rch n ASP 94 Cb 0.00 -1.36 -0.01 0.00 -0.72 0.00 0.00 41.12 39.04 1rch n ASP 94 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1rch n LYS 95 N 1.80 -2.65 -2.02 -0.67 4.76 -1.26 -4.86 118.16 113.25 1rch n LYS 95 Ca 0.59 0.26 -0.30 0.00 -2.87 0.00 0.00 58.31 55.99 1rch n LYS 95 Cb 0.39 -4.83 0.01 0.00 -1.84 0.00 0.00 35.03 28.76 1rch n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1rch s LYS 96 N -5.34 3.52 0.65 1.97 1.02 -1.26 -4.88 119.74 115.41 1rch s LYS 96 Ca 0.13 0.61 -0.13 0.00 0.02 0.00 0.00 55.97 56.60 1rch s LYS 96 Cb -0.07 -2.13 -0.01 0.00 -0.52 0.00 0.00 37.83 35.09 1rch s LYS 96 CO 0.16 -0.54 1.06 -1.25 -0.92 0.00 0.00 175.35 173.85 1rch s PRO 97 N -5.11 3.13 0.37 -1.68 0.04 -1.26 -3.32 135.00 127.16 1rch s PRO 97 Ca 0.54 1.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.51 1rch s PRO 97 Cb -0.11 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 1rch s PRO 97 CO 0.52 -0.95 0.74 0.08 0.04 0.00 0.00 177.00 177.42 1rch s VAL 98 N -2.81 4.78 0.02 -0.36 1.01 -1.26 -4.80 120.40 116.99 1rch s VAL 98 Ca 0.60 0.65 -0.30 0.00 0.00 0.00 0.00 61.98 62.93 1rch s VAL 98 Cb -0.15 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1rch s VAL 98 CO 0.47 -0.41 1.01 -0.75 0.00 0.00 0.00 175.10 175.42 1rch s LYS 99 N -3.58 4.56 -1.36 2.72 2.20 -1.26 -3.06 119.74 119.97 1rch s LYS 99 Ca 0.51 1.47 -0.09 0.00 -0.36 0.00 0.00 55.97 57.51 1rch s LYS 99 Cb -0.10 -3.43 0.01 0.00 -1.51 0.00 0.00 37.83 32.79 1rch s LYS 99 CO 0.27 -0.05 1.18 0.09 -0.36 0.00 0.00 175.35 176.49 1rch n ASN 100 N 3.76 -6.30 0.18 1.43 3.02 -1.26 -4.87 115.26 111.22 1rch n ASN 100 Ca 0.06 -0.54 0.04 0.00 -0.03 0.00 0.00 54.58 54.11 1rch n ASN 100 Cb 0.50 -5.04 0.46 0.00 -0.61 0.00 0.00 39.78 35.09 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 -2.70 1.15 0.28 2.41 3.04 -1.95 -1.29 116.25 117.20 1rch h VAL 101 Ca -0.57 -0.70 -0.00 0.00 -1.01 0.00 0.00 66.70 64.42 1rch h VAL 101 Cb 1.37 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 31.93 1rch h VAL 101 CO 0.56 0.21 -0.23 -2.24 -1.01 0.00 0.00 177.57 174.85 1rch h ASP 102 N 0.09 -0.61 -0.30 3.17 2.03 -1.89 0.80 116.42 119.70 1rch h ASP 102 Ca 0.02 0.05 -0.17 0.00 -0.73 0.00 0.00 57.03 56.20 1rch h ASP 102 Cb 0.35 0.20 -0.00 0.00 -0.83 0.00 0.00 39.33 39.05 1rch h ASP 102 CO 0.02 -0.35 -0.48 -0.07 -1.03 0.00 0.00 179.24 177.33 1rch h LEU 103 N -0.53 0.94 0.18 0.15 3.38 -1.89 -2.12 115.31 115.42 1rch h LEU 103 Ca -0.02 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.43 1rch h LEU 103 Cb 0.47 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1rch h LEU 103 CO -0.02 1.28 -0.11 -0.50 0.09 0.00 0.00 178.44 179.17 1rch h TRP 104 N 0.64 -0.28 -0.29 1.13 -0.00 -1.03 -1.23 115.95 114.88 1rch h TRP 104 Ca 0.03 -0.00 0.07 0.00 -0.00 0.00 0.00 58.89 58.98 1rch h TRP 104 Cb 1.08 0.10 -0.07 0.00 -0.00 0.00 0.00 29.16 30.27 1rch h TRP 104 CO 0.07 -0.17 -0.17 1.96 -0.00 0.00 0.00 178.44 180.14 1rch h GLN 105 N -0.28 -0.13 -0.78 0.49 4.20 0.70 0.34 115.11 119.66 1rch h GLN 105 Ca -0.02 0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.85 1rch h GLN 105 Cb 0.23 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 1rch h GLN 105 CO 0.02 -0.08 0.52 -0.09 -0.67 0.00 0.00 178.83 178.52 1rch h ARG 106 N -0.13 0.45 0.00 1.46 2.43 -1.09 0.78 114.38 118.28 1rch h ARG 106 Ca 0.15 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1rch h ARG 106 Cb 0.37 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1rch h ARG 106 CO -0.37 0.30 0.00 -0.11 -1.51 0.00 0.00 179.97 178.28 1rch n LEU 107 N -4.49 0.14 -0.23 3.80 7.94 0.54 -1.23 117.00 123.47 1rch n LEU 107 Ca 0.15 0.69 0.04 0.00 -1.11 0.00 0.00 56.01 55.78 1rch n LEU 107 Cb 0.52 -0.45 0.15 0.00 0.53 0.00 0.00 43.42 44.16 1rch n LEU 107 CO 0.32 -0.45 0.90 -0.78 -1.11 0.00 0.00 177.39 176.27 1rch h ASP 108 N 0.00 -0.08 -0.71 1.96 3.58 -0.25 0.95 116.42 121.87 1rch h ASP 108 Ca 0.00 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1rch h ASP 108 Cb 0.00 0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 1rch h ASP 108 CO 0.00 -0.06 0.46 0.00 -2.88 0.00 0.00 179.24 176.75 1rch h ALA 109 N 1.59 0.91 -0.41 -0.78 0.00 0.45 -0.35 119.26 120.67 1rch h ALA 109 Ca 0.38 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 1rch h ALA 109 Cb 0.64 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1rch h ALA 109 CO -0.51 0.35 0.05 0.00 0.00 0.00 0.00 179.25 179.13 1rch h ALA 110 N 1.25 0.54 -0.05 0.00 0.00 0.13 -2.13 119.26 119.00 1rch h ALA 110 Ca 0.26 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1rch h ALA 110 Cb -0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1rch h ALA 110 CO -0.05 0.27 0.04 -0.07 0.00 0.00 0.00 179.25 179.44 1rch h LEU 111 N 0.53 0.00 -4.80 0.00 3.38 0.13 -3.02 115.31 111.53 1rch h LEU 111 Ca 0.12 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.56 1rch h LEU 111 Cb 0.40 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 1rch h LEU 111 CO 0.01 0.00 1.70 0.61 0.09 0.00 0.00 178.44 180.85 1rch n GLY 112 N -1.50 4.18 2.03 0.83 0.00 -0.20 -3.68 105.19 106.85 1rch n GLY 112 Ca -0.02 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 2.30 0.00 -4.21 1.61 1.13 -1.14 -4.99 117.38 112.08 1rch n GLN 113 Ca 0.60 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 55.37 1rch n GLN 113 Cb 0.48 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.79 1rch n GLN 113 CO 0.00 0.00 0.00 -3.38 -1.44 0.00 0.00 177.06 172.24 1rch s HIS 114 N -2.00 1.91 -0.59 1.08 -3.43 -1.24 -4.92 115.29 106.10 1rch s HIS 114 Ca 0.00 -0.82 -0.27 0.00 -0.80 0.00 0.00 55.06 53.16 1rch s HIS 114 Cb 0.00 -1.83 0.03 0.00 -1.43 0.00 0.00 32.58 29.35 1rch s HIS 114 CO 0.00 -0.11 1.16 -0.65 -2.00 0.00 0.00 174.74 173.14 1rch s GLN 115 N -4.07 3.45 0.08 -0.38 -0.21 -1.26 -4.90 119.66 112.37 1rch s GLN 115 Ca 0.26 0.11 -0.28 0.00 0.02 0.00 0.00 55.36 55.48 1rch s GLN 115 Cb 0.00 -4.04 -0.06 0.00 1.00 0.00 0.00 33.01 29.92 1rch s GLN 115 CO 0.16 -1.69 0.89 0.42 -2.12 0.00 0.00 175.29 172.94 1rch s ILE 116 N 4.85 4.61 -0.37 1.08 -1.09 -1.26 -2.23 121.20 126.78 1rch s ILE 116 Ca 0.40 1.91 0.01 0.00 -2.23 0.00 0.00 60.65 60.74 1rch s ILE 116 Cb -0.08 -4.25 0.11 0.00 -1.58 0.00 0.00 42.46 36.66 1rch s ILE 116 CO 0.23 0.33 0.15 -0.75 -1.23 0.00 0.00 174.94 173.67 1rch s LYS 117 N 0.04 1.10 -0.22 2.79 2.20 -0.82 -5.01 119.74 119.82 1rch s LYS 117 Ca 0.44 -1.61 -0.29 0.00 -0.36 0.00 0.00 55.97 54.15 1rch s LYS 117 Cb -0.22 -2.36 0.00 0.00 -1.51 0.00 0.00 37.83 33.74 1rch s LYS 117 CO 0.27 -1.05 1.12 -1.58 -0.36 0.00 0.00 175.35 173.75 1rch s TRP 118 N 0.95 3.14 -0.64 4.03 0.52 -1.26 -1.70 118.94 123.98 1rch s TRP 118 Ca 0.13 1.28 0.02 0.00 0.02 0.00 0.00 56.10 57.55 1rch s TRP 118 Cb -0.21 -3.40 0.16 0.00 -1.15 0.00 0.00 33.47 28.87 1rch s TRP 118 CO -0.12 -0.94 0.42 -2.00 0.02 0.00 0.00 176.95 174.34 1rch s GLU 119 N 3.37 2.38 0.22 4.98 2.12 0.40 -4.98 118.70 127.20 1rch s GLU 119 Ca 0.48 -2.92 -0.24 0.00 0.36 0.00 0.00 54.97 52.66 1rch s GLU 119 Cb -0.17 -3.50 -0.08 0.00 0.26 0.00 0.00 34.13 30.64 1rch s GLU 119 CO 0.10 -1.19 0.80 -1.58 -0.54 0.00 0.00 175.26 172.84 1rch s TRP 120 N -0.75 3.77 0.37 5.30 0.52 -1.26 -2.48 118.94 124.41 1rch s TRP 120 Ca 0.21 1.58 0.09 0.00 0.02 0.00 0.00 56.10 58.00 1rch s TRP 120 Cb -0.16 -2.75 -0.07 0.00 -1.15 0.00 0.00 33.47 29.34 1rch s TRP 120 CO -0.07 0.39 -0.06 0.14 0.02 0.00 0.00 176.95 177.37 1rch s VAL 121 N -1.38 2.18 0.00 4.03 -7.23 -0.94 -4.98 120.40 112.08 1rch s VAL 121 Ca 0.41 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 1rch s VAL 121 Cb -0.20 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 33.97 1rch s VAL 121 CO 0.24 -0.14 1.18 0.29 -0.31 0.00 0.00 175.10 176.37 1rch n LYS 122 N -0.86 0.96 -1.54 4.82 4.76 -1.26 -4.71 118.16 120.33 1rch n LYS 122 Ca -0.05 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.26 1rch n LYS 122 Cb 0.65 -1.02 -0.10 0.00 -1.84 0.00 0.00 35.03 32.72 1rch n LYS 122 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rch n GLY 123 N 0.75 -0.29 0.08 0.72 0.00 -1.26 -4.41 105.19 100.77 1rch n GLY 123 Ca 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 1rch n GLY 123 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1rch n HIS 124 N 17.93 0.00 0.00 1.61 1.44 -1.26 -4.86 115.22 130.08 1rch n HIS 124 Ca 0.44 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.15 1rch n HIS 124 Cb 0.43 -0.66 0.00 0.00 0.12 0.00 0.00 29.99 29.88 1rch n HIS 124 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1rch n ALA 125 N -2.74 0.00 0.00 1.59 0.00 -1.26 -5.12 120.51 112.98 1rch n ALA 125 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1rch n ALA 125 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.33 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 1.88 3.84 3.92 0.00 0.00 -1.26 -5.12 105.19 108.45 1rch n GLY 126 Ca 0.00 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.63 2.95 0.16 1.61 0.09 -1.26 -4.91 115.29 113.30 1rch s HIS 127 Ca 0.00 0.55 0.12 0.00 -0.00 0.00 0.00 55.06 55.73 1rch s HIS 127 Cb 0.00 -3.24 0.27 0.00 -0.00 0.00 0.00 32.58 29.60 1rch s HIS 127 CO 0.00 -1.47 1.54 -1.00 -0.00 0.00 0.00 174.74 173.82 1rch h PRO 128 N -0.69 0.00 0.19 8.40 0.13 -2.02 -0.18 132.00 137.82 1rch h PRO 128 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1rch h PRO 128 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1rch h PRO 128 CO 0.62 0.64 -0.09 0.93 -0.23 0.00 0.00 178.00 179.87 1rch h GLU 129 N 0.00 -0.24 -1.09 0.86 3.07 -1.99 -2.47 114.58 112.72 1rch h GLU 129 Ca -0.01 0.02 0.30 0.00 -0.50 0.00 0.00 59.36 59.17 1rch h GLU 129 Cb 1.24 0.05 -0.08 0.00 -0.84 0.00 0.00 28.75 29.13 1rch h GLU 129 CO 0.08 -0.16 0.73 -0.91 -1.40 0.00 0.00 179.01 177.35 1rch h ASN 130 N -0.58 0.27 0.50 1.42 4.21 -1.97 0.35 115.58 119.78 1rch h ASN 130 Ca -0.03 0.05 -0.02 0.00 1.21 0.00 0.00 56.30 57.52 1rch h ASN 130 Cb 0.19 0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 1rch h ASN 130 CO 0.04 0.04 -0.32 -0.33 -1.29 0.00 0.00 177.43 175.57 1rch h GLU 131 N 0.23 -0.76 -0.40 0.81 5.08 -1.06 0.56 114.58 119.04 1rch h GLU 131 Ca 0.58 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 59.08 1rch h GLU 131 Cb 1.80 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 31.20 1rch h GLU 131 CO -0.19 -0.51 0.28 -0.09 -1.00 0.00 0.00 179.01 177.50 1rch h ARG 132 N -0.79 0.16 -0.01 2.33 2.43 0.04 -1.04 114.38 117.49 1rch h ARG 132 Ca -0.06 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1rch h ARG 132 Cb 0.65 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1rch h ARG 132 CO 0.05 0.10 -0.00 0.00 -1.51 0.00 0.00 179.97 178.61 1rch h ASP 134 N -0.37 0.53 -0.56 0.00 3.58 0.13 0.17 116.42 119.89 1rch h ASP 134 Ca 0.00 0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.55 1rch h ASP 134 Cb 0.39 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.43 1rch h ASP 134 CO 0.00 0.20 0.34 -0.08 -2.88 0.00 0.00 179.24 176.81 1rch h GLU 135 N 0.61 0.77 -0.58 0.28 4.81 -1.01 -1.91 114.58 117.55 1rch h GLU 135 Ca 0.49 -0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.73 1rch h GLU 135 Cb 0.74 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.90 1rch h GLU 135 CO -0.39 0.56 0.24 -0.07 -0.73 0.00 0.00 179.01 178.62 1rch h LEU 136 N 0.76 0.27 0.40 1.64 3.38 0.34 0.52 115.31 122.63 1rch h LEU 136 Ca 0.20 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1rch h LEU 136 Cb -0.01 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1rch h LEU 136 CO -0.04 0.17 -0.32 0.00 0.09 0.00 0.00 178.44 178.34 1rch h ALA 137 N 1.38 -0.74 -0.62 1.53 0.00 -0.69 -1.44 119.26 118.68 1rch h ALA 137 Ca 0.28 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1rch h ALA 137 Cb 0.31 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1rch h ALA 137 CO -0.26 -0.94 0.41 0.00 0.00 0.00 0.00 179.25 178.45 1rch h ARG 138 N -0.73 0.69 -0.42 0.00 3.08 -0.79 0.73 114.38 116.95 1rch h ARG 138 Ca -0.04 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.01 1rch h ARG 138 Cb 0.63 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 1rch h ARG 138 CO -0.01 0.46 0.19 0.00 -1.07 0.00 0.00 179.97 179.54 1rch h ALA 139 N 1.64 0.52 0.15 0.04 0.00 0.81 -0.79 119.26 121.63 1rch h ALA 139 Ca 0.25 0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.90 1rch h ALA 139 Cb 0.11 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1rch h ALA 139 CO -0.07 -0.17 -1.28 0.00 0.00 0.00 0.00 179.25 177.72 1rch h ALA 140 N 1.24 0.05 -0.81 0.00 0.00 -0.41 -3.23 119.26 116.10 1rch h ALA 140 Ca 0.18 -0.88 0.17 0.00 0.00 0.00 0.00 54.91 54.39 1rch h ALA 140 Cb 0.11 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1rch h ALA 140 CO -0.14 0.93 0.54 0.00 0.00 0.00 0.00 179.25 180.58 1rch h ALA 141 N 0.51 2.19 -0.78 0.00 0.00 0.96 0.29 119.26 122.45 1rch h ALA 141 Ca -0.15 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.29 1rch h ALA 141 Cb 2.01 -0.04 -0.23 0.00 0.00 0.00 0.00 17.79 19.53 1rch h ALA 141 CO 0.22 -0.43 0.61 -1.33 0.00 0.00 0.00 179.25 178.31 1rch n MET 142 N -4.48 2.16 -2.80 0.00 2.81 -0.35 -4.19 117.12 110.27 1rch n MET 142 Ca 0.16 -2.45 -0.09 0.00 -1.81 0.00 0.00 57.70 53.51 1rch n MET 142 Cb 0.62 -1.96 0.03 0.00 -0.71 0.00 0.00 33.22 31.20 1rch n MET 142 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1rch n ASN 143 N -0.56 -2.69 -4.55 7.83 2.85 0.10 -5.04 115.26 113.21 1rch n ASN 143 Ca 0.48 -3.20 -0.39 0.00 -0.11 0.00 0.00 54.58 51.35 1rch n ASN 143 Cb 0.98 1.60 -0.03 0.00 1.24 0.00 0.00 39.78 43.57 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 0.55 2.93 -0.39 1.20 0.04 -1.26 -4.44 135.00 133.64 1rch s PRO 144 Ca 0.32 0.06 0.11 0.00 0.04 0.00 0.00 61.00 61.53 1rch s PRO 144 Cb 0.20 -4.40 0.37 0.00 0.04 0.00 0.00 34.50 30.71 1rch s PRO 144 CO -0.22 -2.48 0.99 0.25 0.04 0.00 0.00 177.00 175.59 1rch n THR 145 N 6.86 0.15 -3.59 1.26 -2.24 -1.26 -4.92 114.28 110.54 1rch n THR 145 Ca 0.15 -2.88 -0.16 0.00 -2.27 0.00 0.00 64.05 58.89 1rch n THR 145 Cb 0.50 0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 69.31 1rch n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1rch s LEU 146 N -2.66 -0.70 0.36 3.22 1.43 -1.26 -4.87 118.68 114.21 1rch s LEU 146 Ca 0.29 1.15 -0.24 0.00 -1.03 0.00 0.00 54.13 54.30 1rch s LEU 146 Cb 0.36 2.48 -0.10 0.00 0.03 0.00 0.00 46.19 48.96 1rch s LEU 146 CO -0.05 -0.39 0.95 -0.70 0.23 0.00 0.00 176.35 176.39 1rch s GLU 147 N -0.25 4.45 0.76 1.70 2.12 -1.26 -4.20 118.70 122.02 1rch s GLU 147 Ca -0.04 1.25 -0.12 0.00 0.36 0.00 0.00 54.97 56.42 1rch s GLU 147 Cb -0.03 -2.57 0.05 0.00 0.26 0.00 0.00 34.13 31.84 1rch s GLU 147 CO 0.05 0.17 1.14 0.34 -0.54 0.00 0.00 175.26 176.41 1rch s ASP 148 N -1.82 4.94 0.00 -1.70 -1.08 -1.26 -5.01 116.67 110.73 1rch s ASP 148 Ca 0.54 0.97 0.00 0.00 -0.52 0.00 0.00 52.55 53.55 1rch s ASP 148 Cb -0.15 -1.62 0.00 0.00 -1.46 0.00 0.00 42.92 39.69 1rch s ASP 148 CO 0.20 -1.65 0.00 0.41 0.52 0.00 0.00 175.17 174.65 1rch n THR 149 N -3.18 0.00 -2.67 1.71 -1.04 -1.26 -4.91 114.28 102.94 1rch n THR 149 Ca 0.07 0.20 -0.01 0.00 -2.04 0.00 0.00 64.05 62.28 1rch n THR 149 Cb 0.59 -0.89 0.07 0.00 -1.82 0.00 0.00 70.33 68.28 1rch n THR 149 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rch n GLY 150 N 2.20 1.71 3.52 3.41 0.00 -1.26 -5.09 105.19 109.68 1rch n GLY 150 Ca 0.00 -0.59 -0.45 0.00 0.00 0.00 0.00 46.02 44.98 1rch n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1rch n TYR 151 N -0.84 1.63 -3.67 1.61 9.36 -1.26 -4.88 117.16 119.11 1rch n TYR 151 Ca -0.06 0.12 -0.10 0.00 3.32 0.00 0.00 57.90 61.18 1rch n TYR 151 Cb 0.86 -2.61 -0.04 0.00 -0.63 0.00 0.00 39.34 36.92 1rch n TYR 151 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1rch s GLN 152 N 6.80 1.31 -0.42 2.98 -0.21 -1.26 -5.10 119.66 123.77 1rch s GLN 152 Ca 1.06 -0.78 0.08 0.00 0.02 0.00 0.00 55.36 55.74 1rch s GLN 152 Cb -0.58 0.52 0.28 0.00 1.00 0.00 0.00 33.01 34.23 1rch s GLN 152 CO 0.40 -0.55 0.73 0.28 -2.12 0.00 0.00 175.29 174.03 1rch n VAL 153 N -0.33 -0.33 -0.03 1.09 0.31 -1.26 -4.64 118.33 113.15 1rch n VAL 153 Ca -0.12 -3.19 -0.09 0.00 -0.01 0.00 0.00 64.34 60.93 1rch n VAL 153 Cb 0.63 -0.30 -0.08 0.00 -0.91 0.00 0.00 33.84 33.18 1rch n VAL 153 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1rch h GLU 154 N 3.67 -0.06 0.00 5.55 5.08 -1.99 -3.53 114.58 123.30 1rch h GLU 154 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1rch h GLU 154 Cb 0.96 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1rch h GLU 154 CO 0.39 0.49 0.00 0.28 -1.00 0.00 0.00 179.01 179.18