#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 3.81 -1.50 -0.89 1.43 -1.26 -4.92 118.68 115.36 1rch s LEU 2 Ca 0.00 0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 53.16 1rch s LEU 2 Cb 0.00 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.98 1rch s LEU 2 CO 0.00 -1.22 2.69 0.29 0.23 0.00 0.00 176.35 178.35 1rch n LYS 3 N 7.64 4.02 -3.52 1.70 4.76 -1.26 -4.36 118.16 127.14 1rch n LYS 3 Ca 0.08 -2.73 -0.12 0.00 -2.87 0.00 0.00 58.31 52.67 1rch n LYS 3 Cb 0.49 -2.76 -0.04 0.00 -1.84 0.00 0.00 35.03 30.88 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 0.89 0.86 0.08 1.97 2.00 -1.26 -5.09 119.66 119.11 1rch s GLN 4 Ca 0.62 -0.05 -0.30 0.00 -2.00 0.00 0.00 55.36 53.63 1rch s GLN 4 Cb 0.18 0.40 -0.05 0.00 0.80 0.00 0.00 33.01 34.34 1rch s GLN 4 CO -0.07 -0.32 0.97 0.08 -0.50 0.00 0.00 175.29 175.44 1rch s VAL 5 N -2.12 4.62 0.01 1.34 1.01 -1.26 -4.67 120.40 119.33 1rch s VAL 5 Ca -0.01 2.06 0.08 0.00 0.00 0.00 0.00 61.98 64.12 1rch s VAL 5 Cb -0.01 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 1rch s VAL 5 CO -0.02 0.27 -0.26 -1.61 0.00 0.00 0.00 175.10 173.48 1rch s GLU 6 N 0.33 1.94 -0.29 2.72 2.02 0.15 -1.66 118.70 123.91 1rch s GLU 6 Ca 0.49 -1.00 -0.02 0.00 0.02 0.00 0.00 54.97 54.45 1rch s GLU 6 Cb -0.23 -1.98 0.09 0.00 0.10 0.00 0.00 34.13 32.12 1rch s GLU 6 CO 0.29 0.53 0.10 0.42 0.02 0.00 0.00 175.26 176.62 1rch s ILE 7 N -0.70 0.52 -0.48 -1.63 1.01 -1.09 -0.47 121.20 118.36 1rch s ILE 7 Ca 0.11 -1.07 -0.14 0.00 0.00 0.00 0.00 60.65 59.55 1rch s ILE 7 Cb -0.10 -1.35 0.09 0.00 0.01 0.00 0.00 42.46 41.12 1rch s ILE 7 CO 0.00 -0.62 0.40 -0.36 0.00 0.00 0.00 174.94 174.36 1rch s PHE 8 N 1.81 3.28 0.15 3.97 0.40 -1.07 -0.48 117.98 126.03 1rch s PHE 8 Ca 0.08 -1.21 -0.19 0.00 -0.60 0.00 0.00 56.93 55.01 1rch s PHE 8 Cb -0.17 -3.34 -0.07 0.00 0.51 0.00 0.00 43.02 39.94 1rch s PHE 8 CO -0.26 -0.89 0.64 0.95 0.70 0.00 0.00 175.22 176.36 1rch s THR 9 N 1.57 4.66 -0.41 0.64 -4.23 -1.10 -2.15 115.64 114.62 1rch s THR 9 Ca 0.04 1.22 0.08 0.00 -1.18 0.00 0.00 61.69 61.84 1rch s THR 9 Cb -0.26 -3.88 0.18 0.00 1.34 0.00 0.00 72.50 69.88 1rch s THR 9 CO 0.04 0.37 0.64 -0.62 -0.54 0.00 0.00 174.62 174.51 1rch s ASP 10 N -1.42 -1.51 0.96 3.99 -1.08 -0.05 -4.82 116.67 112.73 1rch s ASP 10 Ca 0.36 -0.74 -0.14 0.00 -0.52 0.00 0.00 52.55 51.51 1rch s ASP 10 Cb -0.18 1.94 0.17 0.00 -1.46 0.00 0.00 42.92 43.38 1rch s ASP 10 CO 0.21 -0.17 1.18 -0.83 0.52 0.00 0.00 175.17 176.08 1rch s GLY 11 N 1.87 1.62 -0.28 2.66 0.00 -1.26 -1.53 107.32 110.40 1rch s GLY 11 Ca 0.16 -0.76 -0.01 0.00 0.00 0.00 0.00 44.72 44.11 1rch s GLY 11 CO -0.08 -0.11 0.53 -0.45 0.00 0.00 0.00 173.10 172.99 1rch s SER 12 N -4.26 -0.86 0.07 1.64 0.15 -0.65 -4.79 113.70 105.00 1rch s SER 12 Ca 0.67 0.64 0.04 0.00 0.70 0.00 0.00 55.95 58.01 1rch s SER 12 Cb -0.11 1.82 -0.03 0.00 -1.71 0.00 0.00 66.02 65.99 1rch s SER 12 CO 0.53 -0.27 -0.12 0.00 1.20 0.00 0.00 173.24 174.57 1rch h LEU 14 N 4.18 0.00 0.00 0.00 3.38 -1.83 -3.49 115.31 117.56 1rch h LEU 14 Ca -0.39 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 56.96 1rch h LEU 14 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1rch h LEU 14 CO 0.43 0.83 0.00 0.61 0.09 0.00 0.00 178.44 180.40 1rch n GLY 15 N 1.67 2.27 2.87 0.83 0.00 -1.26 -4.99 105.19 106.57 1rch n GLY 15 Ca -0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -7.54 0.00 1.61 5.15 -1.26 -4.64 115.26 108.57 1rch n ASN 16 Ca 0.00 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.10 1rch n ASN 16 Cb 0.00 -4.17 0.00 0.00 -0.53 0.00 0.00 39.78 35.08 1rch n ASN 16 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1rch n PRO 17 N 0.90 0.00 0.00 1.20 -0.04 -1.26 -5.07 135.00 130.73 1rch n PRO 17 Ca -0.00 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1rch n PRO 17 Cb 0.16 -0.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 1rch n PRO 17 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rch n GLY 18 N 1.67 0.04 2.55 0.55 0.00 -0.15 -4.18 105.19 105.68 1rch n GLY 18 Ca 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1rch n GLY 18 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rch n PRO 19 N 0.00 2.68 0.00 1.61 -0.04 -1.26 -2.01 135.00 135.98 1rch n PRO 19 Ca 0.00 -1.85 0.00 0.00 -0.04 0.00 0.00 63.50 61.61 1rch n PRO 19 Cb 0.00 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 30.78 1rch n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rch n GLY 20 N 3.79 4.41 1.50 0.55 0.00 -1.17 -4.73 105.19 109.53 1rch n GLY 20 Ca 0.58 -1.83 -0.06 0.00 0.00 0.00 0.00 46.02 44.71 1rch n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rch n GLY 21 N 5.00 2.36 2.95 -0.02 0.00 -0.81 -1.82 105.19 112.85 1rch n GLY 21 Ca 0.00 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.34 1rch n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rch s TYR 22 N -4.71 3.29 -0.60 1.61 1.13 -1.26 -1.63 117.35 115.18 1rch s TYR 22 Ca 0.11 -2.72 -0.25 0.00 -1.41 0.00 0.00 57.07 52.79 1rch s TYR 22 Cb -0.01 -2.65 0.04 0.00 -1.10 0.00 0.00 41.96 38.24 1rch s TYR 22 CO 0.08 -0.93 1.04 0.20 -2.51 0.00 0.00 175.55 173.43 1rch s GLY 23 N 1.04 1.27 -0.16 5.49 0.00 -0.59 -3.91 107.32 110.46 1rch s GLY 23 Ca 0.11 -1.24 -0.01 0.00 0.00 0.00 0.00 44.72 43.57 1rch s GLY 23 CO -0.12 2.23 -0.03 0.00 0.00 0.00 0.00 173.10 175.18 1rch s ALA 24 N 4.42 1.32 -0.58 3.20 0.00 -1.03 -0.87 121.76 128.22 1rch s ALA 24 Ca 0.33 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 51.35 1rch s ALA 24 Cb -0.11 -1.10 0.08 0.00 0.00 0.00 0.00 23.12 21.99 1rch s ALA 24 CO 0.19 -0.83 0.74 0.42 0.00 0.00 0.00 175.76 176.28 1rch s ILE 25 N 1.71 4.72 -0.28 0.00 1.01 -0.91 -2.08 121.20 125.37 1rch s ILE 25 Ca 0.01 -0.66 -0.10 0.00 0.00 0.00 0.00 60.65 59.90 1rch s ILE 25 Cb -0.15 -4.47 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 1rch s ILE 25 CO -0.07 -1.09 0.17 -0.22 0.00 0.00 0.00 174.94 173.73 1rch s LEU 26 N 2.98 3.96 -0.23 2.97 2.96 -0.72 -2.61 118.68 128.00 1rch s LEU 26 Ca 0.16 -0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 53.88 1rch s LEU 26 Cb -0.21 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.35 1rch s LEU 26 CO 0.09 -0.07 0.13 -0.60 -1.32 0.00 0.00 176.35 174.58 1rch s ARG 27 N 1.73 4.01 0.00 1.98 3.52 0.38 -1.22 118.95 129.34 1rch s ARG 27 Ca 0.07 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.36 1rch s ARG 27 Cb -0.16 -3.43 0.00 0.00 -1.56 0.00 0.00 34.95 29.80 1rch s ARG 27 CO 0.10 0.09 0.00 0.98 -0.81 0.00 0.00 175.30 175.66 1rch n TYR 28 N 4.15 -1.09 -1.54 5.12 9.36 0.68 0.32 117.16 134.17 1rch n TYR 28 Ca -0.16 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.76 1rch n TYR 28 Cb 0.52 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.14 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 0.60 -4.17 2.98 5.12 -1.26 -1.90 116.66 117.66 1rch n ARG 29 Ca 0.00 -0.20 -0.34 0.00 -1.93 0.00 0.00 57.85 55.38 1rch n ARG 29 Cb 0.00 -2.83 -0.03 0.00 -1.16 0.00 0.00 32.46 28.44 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 6.24 -0.40 3.12 -0.13 0.00 -1.26 -4.91 105.19 107.85 1rch n GLY 30 Ca 0.49 0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.67 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 -6.87 0.54 0.33 1.61 0.52 -0.80 -5.15 118.95 109.13 1rch s ARG 31 Ca 0.59 0.94 -0.27 0.00 -0.52 0.00 0.00 55.73 56.48 1rch s ARG 31 Cb -0.32 0.41 -0.09 0.00 0.52 0.00 0.00 34.95 35.46 1rch s ARG 31 CO 0.92 -0.62 1.03 -2.00 0.02 0.00 0.00 175.30 174.66 1rch s GLU 32 N 2.81 4.45 0.01 3.54 2.12 -1.26 -0.23 118.70 130.14 1rch s GLU 32 Ca 0.19 1.56 -0.00 0.00 0.36 0.00 0.00 54.97 57.08 1rch s GLU 32 Cb -0.15 -2.85 -0.01 0.00 0.26 0.00 0.00 34.13 31.37 1rch s GLU 32 CO -0.20 0.11 -0.01 0.15 -0.54 0.00 0.00 175.26 174.77 1rch s LYS 33 N -1.97 0.22 -0.01 4.30 1.02 -0.36 -4.90 119.74 118.03 1rch s LYS 33 Ca 0.51 -0.38 0.02 0.00 0.02 0.00 0.00 55.97 56.14 1rch s LYS 33 Cb -0.25 0.08 -0.03 0.00 -0.52 0.00 0.00 37.83 37.11 1rch s LYS 33 CO 0.31 -0.04 -0.06 0.99 -0.92 0.00 0.00 175.35 175.64 1rch s THR 34 N -0.95 3.73 -0.37 2.17 2.01 -1.26 -1.76 115.64 119.22 1rch s THR 34 Ca -0.10 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.23 1rch s THR 34 Cb -0.06 -2.61 0.15 0.00 0.01 0.00 0.00 72.50 69.99 1rch s THR 34 CO -0.01 0.44 0.31 -0.36 -0.69 0.00 0.00 174.62 174.31 1rch s PHE 35 N -0.97 0.22 -0.33 4.92 0.40 -0.88 -4.95 117.98 116.39 1rch s PHE 35 Ca 0.16 -1.28 0.03 0.00 -0.60 0.00 0.00 56.93 55.25 1rch s PHE 35 Cb -0.11 -0.65 0.16 0.00 0.51 0.00 0.00 43.02 42.93 1rch s PHE 35 CO 0.06 -0.90 0.42 0.45 0.70 0.00 0.00 175.22 175.95 1rch s SER 36 N 1.16 0.46 0.59 1.36 0.15 -1.25 -2.46 113.70 113.70 1rch s SER 36 Ca 0.19 -0.81 -0.01 0.00 0.70 0.00 0.00 55.95 56.02 1rch s SER 36 Cb -0.17 1.01 0.03 0.00 -1.71 0.00 0.00 66.02 65.18 1rch s SER 36 CO -0.02 -0.31 0.18 0.00 1.20 0.00 0.00 173.24 174.30 1rch n ALA 37 N 4.91 -0.04 -4.04 5.45 0.00 -1.26 -4.93 120.51 120.60 1rch n ALA 37 Ca 0.05 -0.32 -0.31 0.00 0.00 0.00 0.00 53.44 52.86 1rch n ALA 37 Cb 0.49 0.04 -0.16 0.00 0.00 0.00 0.00 19.45 19.82 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 -3.01 1.40 -0.18 0.00 0.00 -1.26 -4.21 107.32 100.06 1rch s GLY 38 Ca 0.11 -1.37 -0.07 0.00 0.00 0.00 0.00 44.72 43.39 1rch s GLY 38 CO 0.08 0.61 0.05 -0.19 0.00 0.00 0.00 173.10 173.65 1rch s TYR 39 N 1.29 3.22 -0.09 1.90 1.51 -0.76 0.72 117.35 125.15 1rch s TYR 39 Ca -0.03 0.01 0.15 0.00 -1.01 0.00 0.00 57.07 56.20 1rch s TYR 39 Cb -0.17 -2.07 0.16 0.00 -0.11 0.00 0.00 41.96 39.77 1rch s TYR 39 CO -0.08 0.11 1.49 1.79 -1.11 0.00 0.00 175.55 177.75 1rch h THR 40 N 4.93 0.90 -2.38 -0.71 1.35 -1.75 -3.11 112.91 112.15 1rch h THR 40 Ca -0.36 -2.15 -0.31 0.00 -0.55 0.00 0.00 66.41 63.03 1rch h THR 40 Cb 1.17 2.36 -0.35 0.00 -1.73 0.00 0.00 68.15 69.60 1rch h THR 40 CO 0.69 0.49 -0.62 -0.60 -0.25 0.00 0.00 175.52 175.23 1rch s ARG 41 N -3.06 0.24 0.20 4.72 3.52 -1.26 -4.17 118.95 119.14 1rch s ARG 41 Ca 0.03 0.12 -0.23 0.00 -0.13 0.00 0.00 55.73 55.52 1rch s ARG 41 Cb 0.08 -1.00 0.05 0.00 -1.56 0.00 0.00 34.95 32.52 1rch s ARG 41 CO 0.74 -0.76 0.69 -0.08 -0.81 0.00 0.00 175.30 175.08 1rch s THR 42 N 2.35 0.00 0.00 4.11 -1.32 -0.85 -4.33 115.64 115.59 1rch s THR 42 Ca 0.08 -0.45 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 1rch s THR 42 Cb -0.15 -1.47 0.00 0.00 -1.51 0.00 0.00 72.50 69.37 1rch s THR 42 CO -0.19 0.00 0.00 0.35 -2.21 0.00 0.00 174.62 172.57 1rch n THR 43 N -0.41 0.00 0.01 5.08 -2.24 -1.26 -0.98 114.28 114.48 1rch n THR 43 Ca -0.10 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.59 1rch n THR 43 Cb 0.62 -0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 68.51 1rch n THR 43 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1rch h ASN 44 N 0.00 -0.12 -0.96 3.42 -0.73 -1.93 -2.75 115.58 112.51 1rch h ASN 44 Ca 0.00 -0.39 0.17 0.00 1.87 0.00 0.00 56.30 57.95 1rch h ASN 44 Cb 0.00 0.03 -0.09 0.00 0.27 0.00 0.00 38.32 38.53 1rch h ASN 44 CO 0.00 0.52 0.61 0.78 -0.37 0.00 0.00 177.43 178.96 1rch h ASN 45 N -0.94 0.70 0.72 1.15 -0.26 -1.99 -0.05 115.58 114.91 1rch h ASN 45 Ca -0.01 0.06 -0.04 0.00 -0.56 0.00 0.00 56.30 55.75 1rch h ASN 45 Cb 0.50 -0.07 0.01 0.00 -1.06 0.00 0.00 38.32 37.69 1rch h ASN 45 CO 0.02 0.31 -0.34 0.03 -1.06 0.00 0.00 177.43 176.39 1rch h ARG 46 N 0.72 -0.93 -0.58 0.81 3.08 -1.97 -2.25 114.38 113.26 1rch h ARG 46 Ca 0.51 0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.69 1rch h ARG 46 Cb 0.84 0.21 -0.06 0.00 0.08 0.00 0.00 29.97 31.04 1rch h ARG 46 CO -0.27 -0.62 0.28 0.52 -1.07 0.00 0.00 179.97 178.80 1rch h MET 47 N -1.22 0.50 -0.23 0.04 2.86 -1.12 0.43 114.93 116.18 1rch h MET 47 Ca -0.10 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1rch h MET 47 Cb 0.74 -0.11 -0.07 0.00 0.06 0.00 0.00 31.60 32.22 1rch h MET 47 CO 0.16 0.33 -0.26 0.93 1.06 0.00 0.00 176.91 179.13 1rch h GLU 48 N 0.51 -0.26 0.30 1.72 5.08 -1.05 0.49 114.58 121.38 1rch h GLU 48 Ca 0.27 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1rch h GLU 48 Cb 0.23 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1rch h GLU 48 CO -0.21 -0.17 -0.17 -0.07 -1.00 0.00 0.00 179.01 177.39 1rch h LEU 49 N -0.27 -0.40 -0.96 1.33 3.38 -0.69 -2.47 115.31 115.22 1rch h LEU 49 Ca 0.13 0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.36 1rch h LEU 49 Cb 0.48 0.11 -0.13 0.00 0.09 0.00 0.00 40.66 41.21 1rch h LEU 49 CO -0.39 -0.27 0.52 -0.03 0.09 0.00 0.00 178.44 178.36 1rch h MET 50 N -0.44 0.49 0.11 1.13 4.05 0.65 0.87 114.93 121.79 1rch h MET 50 Ca -0.04 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 1rch h MET 50 Cb 0.35 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1rch h MET 50 CO 0.05 0.33 -0.05 0.00 0.23 0.00 0.00 176.91 177.46 1rch h ALA 51 N 1.73 -1.03 -0.75 0.39 0.00 0.36 0.30 119.26 120.24 1rch h ALA 51 Ca 0.62 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.57 1rch h ALA 51 Cb 1.18 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 1rch h ALA 51 CO -0.50 -1.02 0.42 0.00 0.00 0.00 0.00 179.25 178.16 1rch h ALA 52 N -1.93 1.04 0.90 0.00 0.00 -0.98 -2.32 119.26 115.97 1rch h ALA 52 Ca -0.02 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1rch h ALA 52 Cb 0.12 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1rch h ALA 52 CO 0.03 0.08 -0.43 0.82 0.00 0.00 0.00 179.25 179.75 1rch h ILE 53 N 0.75 0.05 -0.95 0.00 2.04 0.78 -2.11 117.51 118.07 1rch h ILE 53 Ca 0.35 -0.08 0.26 0.00 1.00 0.00 0.00 64.86 66.39 1rch h ILE 53 Cb 0.27 0.06 -0.13 0.00 -0.74 0.00 0.00 36.82 36.27 1rch h ILE 53 CO -0.22 0.00 0.46 0.58 0.00 0.00 0.00 178.15 178.98 1rch h VAL 54 N -1.28 0.41 0.26 1.67 2.07 -0.15 1.01 116.25 120.24 1rch h VAL 54 Ca -0.12 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1rch h VAL 54 Cb 0.93 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1rch h VAL 54 CO 0.20 0.07 -0.28 0.00 0.02 0.00 0.00 177.57 177.58 1rch h ALA 55 N 1.77 -0.57 -0.59 1.67 0.00 -1.10 0.50 119.26 120.93 1rch h ALA 55 Ca 0.63 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.42 1rch h ALA 55 Cb 1.28 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 1rch h ALA 55 CO -0.56 -0.86 0.24 -0.07 0.00 0.00 0.00 179.25 178.00 1rch h LEU 56 N -0.58 0.81 -0.70 0.00 3.38 0.53 -2.21 115.31 116.53 1rch h LEU 56 Ca -0.01 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 57.87 1rch h LEU 56 Cb 0.54 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 1rch h LEU 56 CO -0.07 0.76 0.38 -0.33 0.09 0.00 0.00 178.44 179.27 1rch h GLU 57 N 0.82 0.66 -0.97 1.13 5.08 0.12 0.55 114.58 121.97 1rch h GLU 57 Ca 0.20 -0.04 0.19 0.00 -1.00 0.00 0.00 59.36 58.71 1rch h GLU 57 Cb 0.20 -0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.21 1rch h GLU 57 CO -0.02 0.44 0.61 0.00 -1.00 0.00 0.00 179.01 179.04 1rch h ALA 58 N 1.38 1.85 -1.55 3.43 0.00 0.62 -3.34 119.26 121.66 1rch h ALA 58 Ca 0.33 0.05 -0.53 0.00 0.00 0.00 0.00 54.91 54.76 1rch h ALA 58 Cb 0.26 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1rch h ALA 58 CO -0.21 -0.18 1.24 -0.51 0.00 0.00 0.00 179.25 179.59 1rch s LEU 59 N -9.98 3.33 -0.90 0.00 1.43 0.18 -4.86 118.68 107.88 1rch s LEU 59 Ca -0.10 0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 53.33 1rch s LEU 59 Cb 0.24 -2.80 0.34 0.00 0.03 0.00 0.00 46.19 44.00 1rch s LEU 59 CO 0.80 -2.05 1.91 0.29 0.23 0.00 0.00 176.35 177.52 1rch n LYS 60 N 8.97 3.84 -3.62 1.70 4.76 -1.26 -4.91 118.16 127.65 1rch n LYS 60 Ca 0.16 -4.02 -0.04 0.00 -2.87 0.00 0.00 58.31 51.55 1rch n LYS 60 Cb 0.50 -2.35 -0.03 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 -4.16 0.21 -0.42 1.97 1.03 -1.26 -5.12 118.70 110.95 1rch s GLU 61 Ca 0.47 -0.04 -0.29 0.00 0.03 0.00 0.00 54.97 55.14 1rch s GLU 61 Cb 0.34 0.10 0.03 0.00 -0.80 0.00 0.00 34.13 33.79 1rch s GLU 61 CO -0.30 -0.08 1.10 -1.01 -1.33 0.00 0.00 175.26 173.64 1rch s HIS 62 N -1.85 2.93 0.00 4.83 3.76 -1.26 -4.84 115.29 118.86 1rch s HIS 62 Ca 0.09 0.85 0.00 0.00 -0.15 0.00 0.00 55.06 55.85 1rch s HIS 62 Cb -0.01 -4.15 0.00 0.00 1.11 0.00 0.00 32.58 29.53 1rch s HIS 62 CO -0.05 -1.09 0.00 0.00 -0.85 0.00 0.00 174.74 172.75 1rch s GLU 64 N 3.05 1.67 -0.03 0.00 2.02 -1.26 -3.65 118.70 120.50 1rch s GLU 64 Ca 0.00 -1.87 -0.20 0.00 0.02 0.00 0.00 54.97 52.92 1rch s GLU 64 Cb 0.00 -1.32 0.04 0.00 0.10 0.00 0.00 34.13 32.95 1rch s GLU 64 CO 0.00 0.03 0.43 0.08 0.02 0.00 0.00 175.26 175.82 1rch s VAL 65 N -2.91 0.04 -0.32 2.63 1.01 -1.07 -4.21 120.40 115.57 1rch s VAL 65 Ca 0.32 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 1rch s VAL 65 Cb 0.05 -0.73 0.10 0.00 0.00 0.00 0.00 36.38 35.79 1rch s VAL 65 CO 0.14 -0.17 0.09 -0.51 0.00 0.00 0.00 175.10 174.66 1rch s ILE 66 N -1.19 1.08 0.06 2.22 2.07 -0.66 -2.11 121.20 122.67 1rch s ILE 66 Ca -0.12 -1.56 -0.26 0.00 -1.41 0.00 0.00 60.65 57.31 1rch s ILE 66 Cb -0.03 -1.82 -0.06 0.00 0.13 0.00 0.00 42.46 40.68 1rch s ILE 66 CO 0.06 -0.67 0.79 -0.22 -1.91 0.00 0.00 174.94 172.99 1rch s LEU 67 N 1.49 4.46 -0.12 8.50 0.20 -0.35 -2.69 118.68 130.18 1rch s LEU 67 Ca 0.10 1.50 0.02 0.00 0.69 0.00 0.00 54.13 56.44 1rch s LEU 67 Cb -0.18 -3.28 0.02 0.00 -0.43 0.00 0.00 46.19 42.32 1rch s LEU 67 CO -0.22 0.01 -0.16 -0.94 -0.29 0.00 0.00 176.35 174.75 1rch s SER 68 N -0.08 2.53 0.00 3.68 1.04 0.37 -0.93 113.70 120.30 1rch s SER 68 Ca 0.40 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1rch s SER 68 Cb -0.21 -1.13 0.00 0.00 0.10 0.00 0.00 66.02 64.78 1rch s SER 68 CO 0.24 0.01 0.00 1.07 0.98 0.00 0.00 173.24 175.54 1rch n THR 69 N 4.26 0.00 -2.21 2.02 5.66 -1.05 -2.71 114.28 120.25 1rch n THR 69 Ca -0.19 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.76 1rch n THR 69 Cb 0.51 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.28 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 -0.60 -0.99 -4.48 1.09 5.75 -1.26 -1.72 116.55 114.34 1rch n ASP 70 Ca 0.00 -2.06 -0.43 0.00 -0.01 0.00 0.00 54.79 52.29 1rch n ASP 70 Cb 0.00 0.36 -0.05 0.00 -1.03 0.00 0.00 41.12 40.40 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 -1.13 6.28 0.42 -1.12 0.15 -1.26 -4.89 113.70 112.15 1rch s SER 71 Ca 0.04 -0.65 0.14 0.00 0.70 0.00 0.00 55.95 56.18 1rch s SER 71 Cb 0.14 -2.36 1.01 0.00 -1.71 0.00 0.00 66.02 63.10 1rch s SER 71 CO -0.04 -1.07 1.94 -0.61 1.20 0.00 0.00 173.24 174.66 1rch h GLN 72 N 9.16 0.43 -0.80 5.44 4.15 -1.98 0.53 115.11 132.04 1rch h GLN 72 Ca -0.27 -0.03 0.13 0.00 0.77 0.00 0.00 58.65 59.26 1rch h GLN 72 Cb 1.08 -0.10 -0.09 0.00 0.21 0.00 0.00 27.48 28.59 1rch h GLN 72 CO 1.03 0.29 0.39 -0.92 -1.93 0.00 0.00 178.83 177.69 1rch h TYR 73 N 0.45 0.69 0.07 3.99 3.20 -1.99 0.96 116.97 124.34 1rch h TYR 73 Ca 0.34 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.24 1rch h TYR 73 Cb 0.70 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.78 1rch h TYR 73 CO -0.00 0.17 -0.03 0.28 -1.64 0.00 0.00 178.16 176.94 1rch h VAL 74 N 0.59 1.09 -0.82 1.81 2.07 -1.37 -1.64 116.25 117.97 1rch h VAL 74 Ca 0.43 -1.51 0.20 0.00 0.82 0.00 0.00 66.70 66.64 1rch h VAL 74 Cb 0.58 1.94 -0.14 0.00 -1.52 0.00 0.00 31.29 32.14 1rch h VAL 74 CO -0.35 0.32 0.05 -0.09 0.02 0.00 0.00 177.57 177.53 1rch h ARG 75 N -0.89 0.11 0.14 1.57 2.43 -0.85 0.85 114.38 117.74 1rch h ARG 75 Ca -0.01 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1rch h ARG 75 Cb 0.60 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1rch h ARG 75 CO 0.02 0.07 -0.07 1.96 -1.51 0.00 0.00 179.97 180.44 1rch h GLN 76 N 0.11 -0.18 -1.16 0.20 4.20 -0.89 -2.25 115.11 115.13 1rch h GLN 76 Ca 0.47 0.01 0.38 0.00 0.06 0.00 0.00 58.65 59.57 1rch h GLN 76 Cb 0.88 0.04 -0.13 0.00 0.30 0.00 0.00 27.48 28.57 1rch h GLN 76 CO -0.71 -0.12 0.72 0.78 -0.67 0.00 0.00 178.83 178.83 1rch h GLY 77 N -0.31 1.57 0.00 3.46 0.00 -0.79 0.72 103.07 107.72 1rch h GLY 77 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1rch h GLY 77 CO 0.03 -0.42 0.00 1.39 0.00 0.00 0.00 176.54 177.54 1rch n ILE 78 N -4.82 0.00 0.18 2.60 2.08 0.29 -1.40 119.36 118.29 1rch n ILE 78 Ca 0.34 0.85 0.03 0.00 0.56 0.00 0.00 62.75 64.53 1rch n ILE 78 Cb 1.22 -1.64 0.35 0.00 -0.75 0.00 0.00 39.64 38.82 1rch n ILE 78 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1rch h THR 79 N 0.00 1.16 0.00 1.39 1.35 -0.86 -3.11 112.91 112.84 1rch h THR 79 Ca 0.00 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 1rch h THR 79 Cb 0.00 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1rch h THR 79 CO 0.00 0.39 -0.29 0.00 -0.25 0.00 0.00 175.52 175.37 1rch n GLN 80 N -3.88 0.19 -0.08 4.72 6.02 0.24 -4.41 117.38 120.18 1rch n GLN 80 Ca -0.01 0.21 -0.11 0.00 -0.01 0.00 0.00 57.00 57.08 1rch n GLN 80 Cb 0.45 -0.98 -0.04 0.00 1.02 0.00 0.00 30.24 30.70 1rch n GLN 80 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 1rch h TRP 81 N -0.38 0.45 -1.02 1.08 6.55 -1.25 -2.27 115.95 119.10 1rch h TRP 81 Ca 0.00 -0.06 0.26 0.00 0.95 0.00 0.00 58.89 60.04 1rch h TRP 81 Cb 0.29 -0.12 -0.09 0.00 -0.86 0.00 0.00 29.16 28.38 1rch h TRP 81 CO -0.13 0.52 0.66 0.97 -1.05 0.00 0.00 178.44 179.42 1rch h ILE 82 N 0.24 0.55 0.00 1.49 2.10 -1.15 0.73 117.51 121.47 1rch h ILE 82 Ca 0.08 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.89 1rch h ILE 82 Cb 0.31 0.13 0.00 0.00 -1.09 0.00 0.00 36.82 36.17 1rch h ILE 82 CO 0.00 0.07 0.00 1.57 -1.08 0.00 0.00 178.15 178.71 1rch n HIS 83 N -4.59 0.00 -0.35 2.19 -0.00 -0.85 0.70 115.22 112.32 1rch n HIS 83 Ca 0.24 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.46 1rch n HIS 83 Cb 0.85 -0.40 0.21 0.00 -0.12 0.00 0.00 29.99 30.54 1rch n HIS 83 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 1rch h ASN 84 N 0.00 0.98 0.00 0.26 2.35 -1.40 0.64 115.58 118.41 1rch h ASN 84 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1rch h ASN 84 Cb 0.00 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.18 1rch h ASN 84 CO 0.00 0.60 0.00 0.79 -1.65 0.00 0.00 177.43 177.17 1rch n TRP 85 N -4.53 0.00 -0.06 1.19 7.02 0.25 0.43 117.44 121.74 1rch n TRP 85 Ca 0.16 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.56 1rch n TRP 85 Cb 0.24 -0.38 -0.01 0.00 -2.42 0.00 0.00 31.31 28.73 1rch n TRP 85 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 1rch h LYS 86 N 0.00 -0.21 -0.09 -0.99 3.11 0.46 0.71 116.57 119.55 1rch h LYS 86 Ca 0.00 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.88 1rch h LYS 86 Cb 0.00 0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 31.23 1rch h LYS 86 CO 0.00 -0.14 -0.43 -0.22 -2.81 0.00 0.00 179.45 175.84 1rch h LYS 87 N -0.22 -0.46 -0.96 1.90 3.64 0.30 0.55 116.57 121.32 1rch h LYS 87 Ca 0.15 0.03 0.28 0.00 -1.27 0.00 0.00 60.65 59.84 1rch h LYS 87 Cb 0.45 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 1rch h LYS 87 CO -0.41 -0.31 0.73 0.00 -2.27 0.00 0.00 179.45 177.20 1rch h ARG 88 N -0.48 0.00 0.00 1.90 3.08 0.54 -3.43 114.38 115.99 1rch h ARG 88 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1rch h ARG 88 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1rch h ARG 88 CO -0.34 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 178.97 1rch n GLY 89 N -1.71 0.99 3.80 0.04 0.00 0.19 -4.68 105.19 103.81 1rch n GLY 89 Ca 0.20 0.00 -0.24 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 0.00 -1.94 -4.03 1.61 7.02 0.23 -4.93 117.44 115.39 1rch n TRP 90 Ca 0.00 0.84 -0.14 0.00 -1.02 0.00 0.00 57.50 57.18 1rch n TRP 90 Cb 0.00 -4.18 -0.02 0.00 -2.42 0.00 0.00 31.31 24.69 1rch n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1rch s LYS 91 N -6.22 2.06 0.18 -0.99 1.02 -1.21 -4.67 119.74 109.90 1rch s LYS 91 Ca 0.15 -1.76 0.00 0.00 0.02 0.00 0.00 55.97 54.39 1rch s LYS 91 Cb -0.08 0.49 0.04 0.00 -0.52 0.00 0.00 37.83 37.76 1rch s LYS 91 CO 0.83 -0.88 0.25 0.25 -0.92 0.00 0.00 175.35 174.87 1rch n THR 92 N -0.59 0.00 0.10 2.17 -2.24 -1.02 -4.63 114.28 108.07 1rch n THR 92 Ca -0.01 -0.41 -0.15 0.00 -2.27 0.00 0.00 64.05 61.21 1rch n THR 92 Cb 0.61 -1.21 -0.12 0.00 -2.10 0.00 0.00 70.33 67.51 1rch n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rch h ALA 93 N -0.38 0.16 -0.86 6.98 0.00 -1.98 -3.24 119.26 119.95 1rch h ALA 93 Ca -0.08 -0.85 -0.57 0.00 0.00 0.00 0.00 54.91 53.40 1rch h ALA 93 Cb 0.31 -0.01 -0.25 0.00 0.00 0.00 0.00 17.79 17.84 1rch h ALA 93 CO 0.09 0.96 0.74 -0.40 0.00 0.00 0.00 179.25 180.64 1rch n ASP 94 N -3.56 7.08 -3.31 0.00 5.75 -1.26 -4.92 116.55 116.33 1rch n ASP 94 Ca -0.08 -3.58 -0.29 0.00 -0.01 0.00 0.00 54.79 50.83 1rch n ASP 94 Cb 0.98 -0.98 0.03 0.00 -1.03 0.00 0.00 41.12 40.12 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 -0.61 -1.45 -3.97 0.11 2.85 -1.22 -4.98 118.16 108.88 1rch n LYS 95 Ca 0.54 1.20 -0.10 0.00 -1.05 0.00 0.00 58.31 58.90 1rch n LYS 95 Cb 0.71 -1.66 -0.07 0.00 -0.65 0.00 0.00 35.03 33.37 1rch n LYS 95 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1rch s LYS 96 N -1.99 1.24 0.36 -1.58 1.02 -1.26 -4.93 119.74 112.60 1rch s LYS 96 Ca 0.28 -1.20 -0.26 0.00 0.02 0.00 0.00 55.97 54.81 1rch s LYS 96 Cb -0.03 0.40 -0.09 0.00 -0.52 0.00 0.00 37.83 37.59 1rch s LYS 96 CO 0.63 -0.47 1.06 -1.25 -0.92 0.00 0.00 175.35 174.41 1rch s PRO 97 N -3.98 4.33 0.32 -1.68 0.04 -1.26 -2.44 135.00 130.34 1rch s PRO 97 Ca 0.19 1.61 -0.15 0.00 0.04 0.00 0.00 61.00 62.69 1rch s PRO 97 Cb 0.03 -2.77 -0.09 0.00 0.04 0.00 0.00 34.50 31.71 1rch s PRO 97 CO 0.02 -0.01 0.73 0.08 0.04 0.00 0.00 177.00 177.86 1rch s VAL 98 N -1.48 4.69 0.00 -0.36 1.01 -1.26 -4.44 120.40 118.56 1rch s VAL 98 Ca 0.53 0.92 -0.30 0.00 0.00 0.00 0.00 61.98 63.13 1rch s VAL 98 Cb -0.25 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1rch s VAL 98 CO 0.32 -0.20 1.14 -0.75 0.00 0.00 0.00 175.10 175.61 1rch s LYS 99 N -3.02 4.44 -1.35 2.72 2.47 -1.26 -2.86 119.74 120.88 1rch s LYS 99 Ca 0.54 1.64 -0.08 0.00 -1.56 0.00 0.00 55.97 56.51 1rch s LYS 99 Cb -0.10 -3.44 0.01 0.00 -1.46 0.00 0.00 37.83 32.83 1rch s LYS 99 CO 0.18 -0.27 1.09 0.09 0.16 0.00 0.00 175.35 176.61 1rch n ASN 100 N 4.36 -6.27 -0.25 1.43 3.02 -1.26 -4.88 115.26 111.40 1rch n ASN 100 Ca 0.09 -0.50 -0.07 0.00 -0.03 0.00 0.00 54.58 54.07 1rch n ASN 100 Cb 0.47 -4.92 0.05 0.00 -0.61 0.00 0.00 39.78 34.77 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 -2.50 1.26 -0.27 2.41 3.04 -1.94 0.34 116.25 118.59 1rch h VAL 101 Ca -0.55 -0.92 -0.00 0.00 -1.01 0.00 0.00 66.70 64.22 1rch h VAL 101 Cb 1.36 0.52 -0.01 0.00 -2.01 0.00 0.00 31.29 31.15 1rch h VAL 101 CO 0.55 0.36 0.17 -2.24 -1.01 0.00 0.00 177.57 175.39 1rch h ASP 102 N 1.04 0.33 -0.34 3.17 2.03 -1.90 0.70 116.42 121.44 1rch h ASP 102 Ca 0.22 -0.04 -0.14 0.00 -0.73 0.00 0.00 57.03 56.34 1rch h ASP 102 Cb 0.33 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.74 1rch h ASP 102 CO -0.00 0.27 -0.29 -0.07 -1.03 0.00 0.00 179.24 178.12 1rch h LEU 103 N 0.35 0.90 -0.19 0.15 3.38 -1.88 -2.17 115.31 115.85 1rch h LEU 103 Ca 0.10 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1rch h LEU 103 Cb 0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1rch h LEU 103 CO -0.02 1.12 0.09 -0.50 0.09 0.00 0.00 178.44 179.22 1rch h TRP 104 N 0.73 0.28 -0.03 1.13 -0.00 0.12 -1.87 115.95 116.31 1rch h TRP 104 Ca 0.08 -0.02 0.04 0.00 -0.00 0.00 0.00 58.89 58.99 1rch h TRP 104 Cb 0.85 -0.09 -0.05 0.00 -0.00 0.00 0.00 29.16 29.87 1rch h TRP 104 CO 0.05 0.31 -0.34 1.96 -0.00 0.00 0.00 178.44 180.42 1rch h GLN 105 N 0.17 -0.46 -0.95 0.49 4.20 0.63 0.15 115.11 119.33 1rch h GLN 105 Ca 0.06 0.03 0.14 0.00 0.06 0.00 0.00 58.65 58.94 1rch h GLN 105 Cb 0.14 0.10 -0.08 0.00 0.30 0.00 0.00 27.48 27.94 1rch h GLN 105 CO -0.01 -0.31 0.61 -0.09 -0.67 0.00 0.00 178.83 178.36 1rch h ARG 106 N -0.48 0.82 -0.65 1.46 2.43 -1.30 0.59 114.38 117.24 1rch h ARG 106 Ca 0.07 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1rch h ARG 106 Cb 0.58 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1rch h ARG 106 CO -0.30 0.54 0.29 1.25 -1.51 0.00 0.00 179.97 180.24 1rch h LEU 107 N 0.84 0.87 0.35 3.80 5.85 -0.23 0.64 115.31 127.44 1rch h LEU 107 Ca 0.48 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 1rch h LEU 107 Cb 0.63 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1rch h LEU 107 CO -0.25 0.78 -0.17 -0.78 -0.34 0.00 0.00 178.44 177.68 1rch h ASP 108 N 0.91 -0.40 -0.97 1.25 3.58 0.19 0.22 116.42 121.20 1rch h ASP 108 Ca 0.22 -0.15 0.10 0.00 0.42 0.00 0.00 57.03 57.62 1rch h ASP 108 Cb 0.16 0.10 -0.08 0.00 1.72 0.00 0.00 39.33 41.23 1rch h ASP 108 CO -0.02 0.01 0.61 0.00 -2.88 0.00 0.00 179.24 176.95 1rch h ALA 109 N -0.50 1.43 -0.06 -0.78 0.00 0.08 0.38 119.26 119.81 1rch h ALA 109 Ca -0.05 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1rch h ALA 109 Cb 0.53 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1rch h ALA 109 CO 0.08 0.25 -0.39 0.00 0.00 0.00 0.00 179.25 179.19 1rch h ALA 110 N 1.51 1.25 0.00 0.00 0.00 0.36 -1.10 119.26 121.28 1rch h ALA 110 Ca 0.47 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1rch h ALA 110 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1rch h ALA 110 CO -0.24 0.53 0.00 1.28 0.00 0.00 0.00 179.25 180.82 1rch n LEU 111 N -4.06 0.07 0.11 0.00 4.77 0.12 -3.03 117.00 114.98 1rch n LEU 111 Ca -0.02 0.51 -0.19 0.00 -0.03 0.00 0.00 56.01 56.29 1rch n LEU 111 Cb 0.44 -0.50 -0.13 0.00 -2.33 0.00 0.00 43.42 40.91 1rch n LEU 111 CO 0.40 -0.16 -0.07 1.23 -1.33 0.00 0.00 177.39 177.46 1rch h GLY 112 N 3.63 0.47 0.00 -0.72 0.00 0.27 -3.40 103.07 103.32 1rch h GLY 112 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 47.33 46.22 1rch h GLY 112 CO 0.00 0.98 0.00 -1.06 0.00 0.00 0.00 176.54 176.46 1rch n GLN 113 N -3.65 0.00 -3.47 4.80 6.02 -1.17 -4.93 117.38 114.99 1rch n GLN 113 Ca -0.11 0.49 -0.29 0.00 -0.01 0.00 0.00 57.00 57.08 1rch n GLN 113 Cb 1.02 -1.04 -0.04 0.00 1.02 0.00 0.00 30.24 31.20 1rch n GLN 113 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1rch s HIS 114 N -1.16 3.47 -0.60 1.08 -3.43 -1.23 -4.61 115.29 108.81 1rch s HIS 114 Ca 0.00 0.61 -0.21 0.00 -0.80 0.00 0.00 55.06 54.67 1rch s HIS 114 Cb 0.00 -2.07 0.08 0.00 -1.43 0.00 0.00 32.58 29.16 1rch s HIS 114 CO 0.00 0.27 0.80 -0.65 -2.00 0.00 0.00 174.74 173.16 1rch s GLN 115 N -3.25 3.09 -0.39 -0.38 -0.21 -1.24 -4.70 119.66 112.59 1rch s GLN 115 Ca 0.43 -1.03 -0.23 0.00 0.02 0.00 0.00 55.36 54.54 1rch s GLN 115 Cb -0.11 -4.22 0.01 0.00 1.00 0.00 0.00 33.01 29.69 1rch s GLN 115 CO 0.27 -1.60 0.79 0.42 -2.12 0.00 0.00 175.29 173.05 1rch s ILE 116 N 3.25 4.70 -0.38 1.08 1.01 -1.25 -2.60 121.20 127.01 1rch s ILE 116 Ca 0.17 0.77 -0.29 0.00 0.00 0.00 0.00 60.65 61.30 1rch s ILE 116 Cb -0.20 -4.25 0.02 0.00 0.01 0.00 0.00 42.46 38.04 1rch s ILE 116 CO 0.09 -0.52 1.11 -0.75 0.00 0.00 0.00 174.94 174.87 1rch s LYS 117 N 3.18 3.92 -0.99 2.79 2.20 -0.89 -4.81 119.74 125.13 1rch s LYS 117 Ca 0.31 0.87 -0.23 0.00 -0.36 0.00 0.00 55.97 56.56 1rch s LYS 117 Cb -0.13 -3.81 0.04 0.00 -1.51 0.00 0.00 37.83 32.42 1rch s LYS 117 CO 0.19 -1.11 1.47 -1.58 -0.36 0.00 0.00 175.35 173.96 1rch s TRP 118 N 4.01 2.47 -0.91 4.03 0.52 -1.26 -1.21 118.94 126.58 1rch s TRP 118 Ca 0.47 -0.70 -0.17 0.00 0.02 0.00 0.00 56.10 55.72 1rch s TRP 118 Cb -0.10 -4.65 0.15 0.00 -1.15 0.00 0.00 33.47 27.72 1rch s TRP 118 CO 0.22 -1.94 1.05 -2.00 0.02 0.00 0.00 176.95 174.31 1rch s GLU 119 N 5.16 3.62 -0.41 4.98 2.12 -0.11 -4.99 118.70 129.07 1rch s GLU 119 Ca 0.47 -1.95 -0.29 0.00 0.36 0.00 0.00 54.97 53.56 1rch s GLU 119 Cb -0.01 -4.81 0.02 0.00 0.26 0.00 0.00 34.13 29.60 1rch s GLU 119 CO -0.08 -1.66 1.12 -1.58 -0.54 0.00 0.00 175.26 172.52 1rch s TRP 120 N 2.06 2.95 -0.05 5.30 0.52 -1.26 -2.52 118.94 125.95 1rch s TRP 120 Ca 0.30 0.92 0.02 0.00 0.02 0.00 0.00 56.10 57.35 1rch s TRP 120 Cb -0.06 -4.13 -0.03 0.00 -1.15 0.00 0.00 33.47 28.11 1rch s TRP 120 CO -0.09 -1.07 -0.08 0.14 0.02 0.00 0.00 176.95 175.86 1rch s VAL 121 N 4.13 3.57 0.78 4.03 -7.23 -0.70 -5.01 120.40 119.96 1rch s VAL 121 Ca 0.47 -0.60 -0.08 0.00 -1.81 0.00 0.00 61.98 59.97 1rch s VAL 121 Cb -0.09 -2.47 0.11 0.00 0.56 0.00 0.00 36.38 34.49 1rch s VAL 121 CO 0.25 0.55 1.09 -0.54 -0.31 0.00 0.00 175.10 176.14 1rch s LYS 122 N -0.94 1.65 0.37 4.82 -0.14 -1.26 -4.54 119.74 119.70 1rch s LYS 122 Ca 0.13 -0.50 0.08 0.00 -1.36 0.00 0.00 55.97 54.33 1rch s LYS 122 Cb -0.11 -2.12 0.81 0.00 -1.68 0.00 0.00 37.83 34.73 1rch s LYS 122 CO 0.03 -1.61 1.91 0.78 -0.76 0.00 0.00 175.35 175.70 1rch h GLY 123 N -0.86 1.05 0.92 -3.33 0.00 -2.00 0.17 103.07 99.02 1rch h GLY 123 Ca -0.42 -0.29 0.03 0.00 0.00 0.00 0.00 47.33 46.64 1rch h GLY 123 CO 0.50 0.14 0.60 1.12 0.00 0.00 0.00 176.54 178.90 1rch h HIS 124 N 0.69 1.13 -1.07 5.60 2.07 -2.05 -2.37 115.15 119.14 1rch h HIS 124 Ca 0.39 0.03 -0.57 0.00 -2.85 0.00 0.00 60.37 57.37 1rch h HIS 124 Cb 0.56 -0.38 -0.16 0.00 2.57 0.00 0.00 27.41 30.00 1rch h HIS 124 CO -0.00 0.67 0.99 0.00 -3.07 0.00 0.00 177.93 176.52 1rch n ALA 125 N -2.35 6.57 -2.62 6.11 0.00 0.05 -4.91 120.51 123.35 1rch n ALA 125 Ca 0.11 -3.35 -0.39 0.00 0.00 0.00 0.00 53.44 49.82 1rch n ALA 125 Cb 0.06 -2.34 -0.09 0.00 0.00 0.00 0.00 19.45 17.09 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 0.39 1.90 0.46 0.00 0.00 -0.90 -4.59 107.32 104.58 1rch s GLY 126 Ca 0.58 -0.73 0.04 0.00 0.00 0.00 0.00 44.72 44.61 1rch s GLY 126 CO -0.18 1.00 0.64 0.30 0.00 0.00 0.00 173.10 174.86 1rch s HIS 127 N 1.99 2.92 0.22 1.90 3.76 -1.26 -5.02 115.29 119.81 1rch s HIS 127 Ca 0.17 -0.16 0.09 0.00 -0.15 0.00 0.00 55.06 55.01 1rch s HIS 127 Cb -0.16 -2.44 0.15 0.00 1.11 0.00 0.00 32.58 31.24 1rch s HIS 127 CO 0.09 -0.51 1.49 -1.00 -0.85 0.00 0.00 174.74 173.97 1rch h PRO 128 N 0.45 0.02 -0.49 8.40 0.13 -1.99 -3.11 132.00 135.40 1rch h PRO 128 Ca -0.42 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.73 1rch h PRO 128 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 1rch h PRO 128 CO 0.50 0.76 0.26 0.93 -0.23 0.00 0.00 178.00 180.22 1rch h GLU 129 N 0.01 0.50 -0.64 0.86 3.07 -2.00 -1.73 114.58 114.66 1rch h GLU 129 Ca -0.01 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1rch h GLU 129 Cb 1.33 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 29.10 1rch h GLU 129 CO 0.10 0.33 0.26 -0.91 -1.40 0.00 0.00 179.01 177.39 1rch h ASN 130 N 0.51 0.87 -0.91 1.42 4.21 -1.94 -1.22 115.58 118.53 1rch h ASN 130 Ca 0.21 -0.17 0.14 0.00 1.21 0.00 0.00 56.30 57.70 1rch h ASN 130 Cb 0.09 -0.23 -0.07 0.00 -1.12 0.00 0.00 38.32 36.99 1rch h ASN 130 CO -0.13 0.80 0.58 -0.33 -1.29 0.00 0.00 177.43 177.06 1rch h GLU 131 N 0.89 0.71 -0.11 0.81 5.08 -1.30 0.24 114.58 120.92 1rch h GLU 131 Ca 0.21 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.35 1rch h GLU 131 Cb 0.19 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1rch h GLU 131 CO -0.02 0.47 -0.68 -0.09 -1.00 0.00 0.00 179.01 177.69 1rch h ARG 132 N 0.73 0.45 -0.52 2.33 2.43 -0.59 -1.88 114.38 117.33 1rch h ARG 132 Ca 0.46 -0.34 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1rch h ARG 132 Cb 0.70 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 1rch h ARG 132 CO -0.22 0.97 0.32 0.00 -1.51 0.00 0.00 179.97 179.53 1rch h ASP 134 N 0.64 0.58 -0.87 0.00 1.82 -0.86 0.13 116.42 117.86 1rch h ASP 134 Ca 0.20 -0.16 0.13 0.00 -0.39 0.00 0.00 57.03 56.82 1rch h ASP 134 Cb -0.00 -0.15 -0.09 0.00 0.68 0.00 0.00 39.33 39.77 1rch h ASP 134 CO -0.08 0.58 0.48 -0.08 -1.61 0.00 0.00 179.24 178.53 1rch h GLU 135 N 0.54 0.69 -0.29 0.28 4.81 -0.54 0.49 114.58 120.56 1rch h GLU 135 Ca 0.14 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 1rch h GLU 135 Cb 0.18 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1rch h GLU 135 CO -0.01 0.46 -0.31 -0.07 -0.73 0.00 0.00 179.01 178.34 1rch h LEU 136 N 0.71 0.78 -0.60 1.64 3.38 -0.50 0.63 115.31 121.34 1rch h LEU 136 Ca 0.46 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1rch h LEU 136 Cb 0.58 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1rch h LEU 136 CO -0.33 1.10 0.35 0.00 0.09 0.00 0.00 178.44 179.65 1rch h ALA 137 N 0.70 0.78 0.01 1.53 0.00 0.12 0.65 119.26 123.06 1rch h ALA 137 Ca 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rch h ALA 137 Cb 0.89 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1rch h ALA 137 CO 0.08 0.06 -0.00 -0.09 0.00 0.00 0.00 179.25 179.29 1rch h ARG 138 N 0.68 -0.01 -0.90 0.00 2.43 -0.04 -1.20 114.38 115.34 1rch h ARG 138 Ca 0.25 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.54 1rch h ARG 138 Cb 0.07 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.56 1rch h ARG 138 CO -0.13 0.78 0.58 0.00 -1.51 0.00 0.00 179.97 179.69 1rch h ALA 139 N 0.08 1.69 -0.10 2.80 0.00 0.40 0.65 119.26 124.79 1rch h ALA 139 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1rch h ALA 139 Cb 0.80 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1rch h ALA 139 CO 0.00 0.11 -0.81 0.00 0.00 0.00 0.00 179.25 178.55 1rch h ALA 140 N 1.57 0.39 -0.60 0.00 0.00 0.27 -3.05 119.26 117.85 1rch h ALA 140 Ca 0.43 -0.62 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1rch h ALA 140 Cb 0.51 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1rch h ALA 140 CO -0.19 0.72 0.40 0.00 0.00 0.00 0.00 179.25 180.18 1rch h ALA 141 N 0.69 1.89 -0.67 0.00 0.00 0.37 0.15 119.26 121.70 1rch h ALA 141 Ca -0.06 -0.02 -0.38 0.00 0.00 0.00 0.00 54.91 54.46 1rch h ALA 141 Cb 1.42 -0.12 -0.20 0.00 0.00 0.00 0.00 17.79 18.89 1rch h ALA 141 CO 0.15 -0.00 0.48 -1.33 0.00 0.00 0.00 179.25 178.55 1rch n MET 142 N -4.48 1.92 -2.76 0.00 2.81 -0.52 -4.45 117.12 109.65 1rch n MET 142 Ca 0.09 -2.06 -0.05 0.00 -1.81 0.00 0.00 57.70 53.87 1rch n MET 142 Cb 0.29 -1.81 0.02 0.00 -0.71 0.00 0.00 33.22 31.01 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 -0.46 -3.33 -4.77 7.83 2.85 0.53 -5.04 115.26 112.87 1rch n ASN 143 Ca 0.41 -2.96 -0.38 0.00 -0.11 0.00 0.00 54.58 51.54 1rch n ASN 143 Cb 1.10 1.76 -0.04 0.00 1.24 0.00 0.00 39.78 43.83 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 0.84 4.32 0.04 1.20 0.04 -1.26 -4.55 135.00 135.63 1rch s PRO 144 Ca 0.30 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1rch s PRO 144 Cb 0.04 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1rch s PRO 144 CO -0.09 -0.02 0.00 0.25 0.04 0.00 0.00 177.00 177.18 1rch n THR 145 N 0.34 0.00 -2.83 1.26 -2.24 -1.22 -5.01 114.28 104.58 1rch n THR 145 Ca 0.03 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.66 1rch n THR 145 Cb 0.48 -0.27 0.06 0.00 -2.10 0.00 0.00 70.33 68.51 1rch n THR 145 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1rch n LEU 146 N -2.59 0.00 -4.05 3.22 4.77 0.22 -5.00 117.00 113.57 1rch n LEU 146 Ca 0.00 -1.73 -0.11 0.00 -0.03 0.00 0.00 56.01 54.14 1rch n LEU 146 Cb 0.00 -0.38 -0.11 0.00 -2.33 0.00 0.00 43.42 40.60 1rch n LEU 146 CO 0.00 -0.74 -0.38 -0.70 -1.33 0.00 0.00 177.39 174.24 1rch s GLU 147 N -4.11 0.49 -0.22 3.23 2.12 -1.25 -2.61 118.70 116.34 1rch s GLU 147 Ca 0.46 -0.80 -0.29 0.00 0.36 0.00 0.00 54.97 54.70 1rch s GLU 147 Cb -0.03 -0.09 0.01 0.00 0.26 0.00 0.00 34.13 34.27 1rch s GLU 147 CO 0.30 -0.01 1.05 0.34 -0.54 0.00 0.00 175.26 176.40 1rch s ASP 148 N -1.80 7.10 -0.12 -1.70 -1.08 -1.26 -4.88 116.67 112.94 1rch s ASP 148 Ca -0.09 1.40 0.05 0.00 -0.52 0.00 0.00 52.55 53.40 1rch s ASP 148 Cb -0.07 -2.54 -0.24 0.00 -1.46 0.00 0.00 42.92 38.61 1rch s ASP 148 CO -0.02 -0.66 0.38 0.41 0.52 0.00 0.00 175.17 175.80 1rch n THR 149 N 5.27 1.63 -1.35 1.71 -1.04 -1.26 -4.26 114.28 114.99 1rch n THR 149 Ca 0.12 -0.73 -0.28 0.00 -2.04 0.00 0.00 64.05 61.12 1rch n THR 149 Cb 0.46 -1.25 0.01 0.00 -1.82 0.00 0.00 70.33 67.74 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 1.82 4.77 3.21 3.41 0.00 -1.26 -4.85 105.19 112.30 1rch n GLY 150 Ca -0.28 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.53 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 -2.56 3.40 -0.28 1.61 6.14 -1.26 -4.85 117.35 119.55 1rch s TYR 151 Ca 0.51 -1.84 -0.00 0.00 0.64 0.00 0.00 57.07 56.38 1rch s TYR 151 Cb 0.38 -2.92 0.17 0.00 0.42 0.00 0.00 41.96 40.00 1rch s TYR 151 CO -0.15 -0.88 0.50 -0.65 0.64 0.00 0.00 175.55 175.01 1rch s GLN 152 N 1.32 0.47 -1.38 4.97 -0.21 -1.26 -5.06 119.66 118.51 1rch s GLN 152 Ca 0.03 0.65 -0.11 0.00 0.02 0.00 0.00 55.36 55.95 1rch s GLN 152 Cb -0.23 0.04 0.09 0.00 1.00 0.00 0.00 33.01 33.92 1rch s GLN 152 CO -0.00 -0.76 2.14 0.28 -2.12 0.00 0.00 175.29 174.83 1rch n VAL 153 N 5.40 4.05 0.00 1.09 0.31 -1.26 -4.67 118.33 123.24 1rch n VAL 153 Ca -0.01 -3.69 -0.00 0.00 -0.01 0.00 0.00 64.34 60.63 1rch n VAL 153 Cb 0.51 -2.46 -0.00 0.00 -0.91 0.00 0.00 33.84 30.98 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 5.70 -0.01 0.00 5.55 5.08 -1.97 -3.54 114.58 125.39 1rch h GLU 154 Ca 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1rch h GLU 154 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1rch h GLU 154 CO 1.74 -0.01 0.00 0.28 -1.00 0.00 0.00 179.01 180.02