#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxc s GLU 2 N 0.00 4.58 0.10 0.03 2.02 -1.26 -4.96 118.70 119.21 3cxc s GLU 2 Ca 0.00 1.71 -0.35 0.00 0.02 0.00 0.00 54.97 56.34 3cxc s GLU 2 Cb 0.00 -3.08 -0.15 0.00 0.10 0.00 0.00 34.13 31.00 3cxc s GLU 2 CO 0.00 0.19 1.48 0.00 0.02 0.00 0.00 175.26 176.95 3cxc n ALA 3 N 0.99 0.17 0.28 5.21 0.00 -1.26 -4.85 120.51 121.07 3cxc n ALA 3 Ca -0.00 0.47 0.17 0.00 0.00 0.00 0.00 53.44 54.08 3cxc n ALA 3 Cb 0.46 -2.22 0.81 0.00 0.00 0.00 0.00 19.45 18.50 3cxc n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3cxc h LEU 4 N 5.40 0.00 0.34 0.00 3.38 -1.93 -3.46 115.31 119.05 3cxc h LEU 4 Ca -0.46 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 3cxc h LEU 4 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 3cxc h LEU 4 CO 0.84 0.05 -0.07 0.61 0.09 0.00 0.00 178.44 179.96 3cxc n GLY 5 N -0.41 0.32 3.64 0.83 0.00 -1.26 -4.69 105.19 103.62 3cxc n GLY 5 Ca -0.01 -0.81 -0.06 0.00 0.00 0.00 0.00 46.02 45.14 3cxc n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxc s ALA 6 N -2.13 -2.10 0.12 4.61 0.00 -1.26 -4.42 121.76 116.57 3cxc s ALA 6 Ca 0.00 1.77 -0.27 0.00 0.00 0.00 0.00 51.96 53.46 3cxc s ALA 6 Cb 0.00 -1.56 -0.07 0.00 0.00 0.00 0.00 23.12 21.49 3cxc s ALA 6 CO 0.00 -0.18 0.84 -0.51 0.00 0.00 0.00 175.76 175.91 3cxc s ASP 7 N -0.03 7.38 -0.04 0.00 1.01 -0.71 -4.94 116.67 119.35 3cxc s ASP 7 Ca 0.05 1.64 0.05 0.00 0.71 0.00 0.00 52.55 55.00 3cxc s ASP 7 Cb -0.04 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 3cxc s ASP 7 CO -0.10 0.06 -0.19 -0.69 0.21 0.00 0.00 175.17 174.46 3cxc s VAL 8 N -0.46 1.60 -0.56 -1.27 1.01 -1.26 -1.71 120.40 117.75 3cxc s VAL 8 Ca 0.40 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 3cxc s VAL 8 Cb -0.22 -1.36 0.14 0.00 0.00 0.00 0.00 36.38 34.93 3cxc s VAL 8 CO 0.27 0.46 0.49 -0.89 0.00 0.00 0.00 175.10 175.42 3cxc s THR 9 N -0.06 5.00 -0.01 3.92 2.01 -1.26 -5.02 115.64 120.22 3cxc s THR 9 Ca -0.03 -1.70 -0.38 0.00 0.31 0.00 0.00 61.69 59.89 3cxc s THR 9 Cb -0.12 -4.21 -0.17 0.00 0.01 0.00 0.00 72.50 68.01 3cxc s THR 9 CO 0.02 -0.87 1.38 0.00 -0.69 0.00 0.00 174.62 174.47 3cxc n GLN 10 N 5.00 0.94 -0.12 4.92 3.00 -1.26 -4.82 117.38 125.04 3cxc n GLN 10 Ca -0.09 0.34 0.06 0.00 -0.01 0.00 0.00 57.00 57.30 3cxc n GLN 10 Cb 0.41 -1.97 0.12 0.00 0.00 0.00 0.00 30.24 28.81 3cxc n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3cxc n GLY 11 N 2.72 1.55 3.40 1.08 0.00 -1.12 -4.88 105.19 107.94 3cxc n GLY 11 Ca 0.20 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 3cxc n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cxc s LEU 12 N -1.02 2.51 0.18 0.99 1.43 0.89 -4.93 118.68 118.73 3cxc s LEU 12 Ca 0.21 -0.95 0.01 0.00 -1.03 0.00 0.00 54.13 52.38 3cxc s LEU 12 Cb 0.12 -0.98 -0.05 0.00 0.03 0.00 0.00 46.19 45.32 3cxc s LEU 12 CO 0.17 0.01 0.02 -1.61 0.23 0.00 0.00 176.35 175.17 3cxc s GLU 13 N -3.15 1.13 0.20 1.70 2.02 -1.26 0.06 118.70 119.40 3cxc s GLU 13 Ca 0.23 -1.56 -0.32 0.00 0.02 0.00 0.00 54.97 53.34 3cxc s GLU 13 Cb -0.05 -0.20 -0.11 0.00 0.10 0.00 0.00 34.13 33.87 3cxc s GLU 13 CO 0.10 -0.17 1.67 0.21 0.02 0.00 0.00 175.26 177.09 3cxc s LYS 14 N -3.95 4.15 0.00 1.61 2.20 -0.62 -0.83 119.74 122.30 3cxc s LYS 14 Ca 0.26 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 58.41 3cxc s LYS 14 Cb 0.06 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 3cxc s LYS 14 CO 0.05 -0.70 0.00 0.41 -0.36 0.00 0.00 175.35 174.75 3cxc n GLY 15 N 3.81 0.41 3.76 5.54 0.00 0.14 -4.96 105.19 113.90 3cxc n GLY 15 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3cxc n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cxc s SER 16 N -2.39 7.20 -0.30 1.61 0.01 -0.01 -4.73 113.70 115.09 3cxc s SER 16 Ca 0.00 2.31 -0.13 0.00 1.31 0.00 0.00 55.95 59.45 3cxc s SER 16 Cb 0.00 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 3cxc s SER 16 CO 0.00 -0.20 0.26 -0.76 0.41 0.00 0.00 173.24 172.95 3cxc s LEU 17 N -1.39 4.21 0.00 2.44 1.43 -1.26 -0.89 118.68 123.22 3cxc s LEU 17 Ca 0.46 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.48 3cxc s LEU 17 Cb -0.33 -2.22 -0.00 0.00 0.03 0.00 0.00 46.19 43.67 3cxc s LEU 17 CO 0.42 -0.16 0.02 2.30 0.23 0.00 0.00 176.35 179.16 3cxc n ILE 18 N 5.11 0.00 -3.63 -0.59 -5.35 0.51 -4.95 119.36 110.46 3cxc n ILE 18 Ca -0.12 -2.26 -0.37 0.00 -0.27 0.00 0.00 62.75 59.73 3cxc n ILE 18 Cb 0.51 0.50 -0.06 0.00 -1.74 0.00 0.00 39.64 38.85 3cxc n ILE 18 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3cxc s THR 19 N -2.76 5.24 -0.68 7.28 2.01 -0.11 -1.04 115.64 125.58 3cxc s THR 19 Ca 0.03 0.58 -0.21 0.00 0.31 0.00 0.00 61.69 62.40 3cxc s THR 19 Cb 0.00 -3.60 0.09 0.00 0.01 0.00 0.00 72.50 69.00 3cxc s THR 19 CO 0.02 0.55 0.91 0.00 -0.69 0.00 0.00 174.62 175.40 3cxc n ALA 21 N 7.08 6.69 -3.70 0.00 0.00 0.73 -4.81 120.51 126.50 3cxc n ALA 21 Ca -0.01 -3.49 0.07 0.00 0.00 0.00 0.00 53.44 50.00 3cxc n ALA 21 Cb 0.45 -3.40 0.02 0.00 0.00 0.00 0.00 19.45 16.52 3cxc n ALA 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3cxc n ASP 22 N 4.42 -1.34 -1.46 0.00 5.68 -1.26 -2.96 116.55 119.63 3cxc n ASP 22 Ca 0.68 -1.70 -0.01 0.00 -0.50 0.00 0.00 54.79 53.26 3cxc n ASP 22 Cb 0.27 2.18 0.26 0.00 -1.14 0.00 0.00 41.12 42.69 3cxc n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3cxc n ASN 23 N -1.13 3.96 0.26 -1.12 6.94 -1.04 -4.69 115.26 118.43 3cxc n ASN 23 Ca -0.02 -3.30 0.17 0.00 -0.02 0.00 0.00 54.58 51.42 3cxc n ASN 23 Cb 0.45 -0.66 0.81 0.00 -2.36 0.00 0.00 39.78 38.03 3cxc n ASN 23 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 3cxc h THR 24 N 1.96 0.00 0.00 5.53 1.35 -1.92 -3.45 112.91 116.38 3cxc h THR 24 Ca 0.18 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 3cxc h THR 24 Cb 1.91 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 3cxc h THR 24 CO 0.51 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 3cxc n GLY 25 N -0.53 0.85 3.44 5.82 0.00 -1.26 -4.98 105.19 108.53 3cxc n GLY 25 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3cxc n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxc s ALA 26 N -2.00 3.10 -0.17 4.61 0.00 -1.26 -0.52 121.76 125.52 3cxc s ALA 26 Ca 0.00 -1.10 -0.14 0.00 0.00 0.00 0.00 51.96 50.72 3cxc s ALA 26 Cb 0.00 -1.97 -0.06 0.00 0.00 0.00 0.00 23.12 21.09 3cxc s ALA 26 CO 0.00 -0.40 -0.24 0.54 0.00 0.00 0.00 175.76 175.66 3cxc n ARG 27 N 4.74 0.50 -4.21 0.00 1.74 -0.46 -4.60 116.66 114.37 3cxc n ARG 27 Ca -0.17 0.37 -0.35 0.00 -0.77 0.00 0.00 57.85 56.94 3cxc n ARG 27 Cb 0.51 -1.57 -0.10 0.00 -1.02 0.00 0.00 32.46 30.29 3cxc n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3cxc s GLU 28 N -2.56 3.55 0.17 5.56 2.12 -1.04 -0.87 118.70 125.62 3cxc s GLU 28 Ca -0.23 -0.39 0.09 0.00 0.36 0.00 0.00 54.97 54.80 3cxc s GLU 28 Cb 0.04 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 3cxc s GLU 28 CO 0.35 0.44 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.86 3cxc s LEU 29 N -0.13 2.83 -0.16 2.70 1.43 -0.21 -0.97 118.68 124.16 3cxc s LEU 29 Ca 0.05 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 3cxc s LEU 29 Cb -0.12 -1.56 0.03 0.00 0.03 0.00 0.00 46.19 44.56 3cxc s LEU 29 CO 0.02 0.13 -0.15 -0.75 0.23 0.00 0.00 176.35 175.82 3cxc s LYS 30 N -2.63 2.41 0.24 1.70 2.20 -0.34 -0.37 119.74 122.95 3cxc s LYS 30 Ca 0.23 -0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 54.87 3cxc s LYS 30 Cb -0.09 -2.26 -0.10 0.00 -1.51 0.00 0.00 37.83 33.87 3cxc s LYS 30 CO 0.13 -0.26 1.36 0.08 -0.36 0.00 0.00 175.35 176.30 3cxc s VAL 31 N 1.43 2.88 -0.01 4.02 1.01 -0.07 -2.17 120.40 127.50 3cxc s VAL 31 Ca 0.04 0.76 -0.00 0.00 0.00 0.00 0.00 61.98 62.78 3cxc s VAL 31 Cb -0.13 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 3cxc s VAL 31 CO -0.11 0.13 -0.01 -0.38 0.00 0.00 0.00 175.10 174.73 3cxc n ILE 32 N 2.17 0.05 -3.92 2.22 5.41 -0.74 0.28 119.36 124.84 3cxc n ILE 32 Ca 0.05 -0.02 -0.10 0.00 1.00 0.00 0.00 62.75 63.69 3cxc n ILE 32 Cb 0.41 -0.83 -0.06 0.00 -0.71 0.00 0.00 39.64 38.45 3cxc n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3cxc s SER 33 N -4.39 -0.02 -0.24 4.38 0.01 -1.20 -4.76 113.70 107.48 3cxc s SER 33 Ca -0.01 -0.79 0.02 0.00 1.31 0.00 0.00 55.95 56.47 3cxc s SER 33 Cb 0.00 0.46 0.06 0.00 0.21 0.00 0.00 66.02 66.75 3cxc s SER 33 CO 0.02 -0.92 -0.10 -0.69 0.41 0.00 0.00 173.24 171.96 3cxc s VAL 34 N -3.95 1.93 0.16 3.43 1.01 -1.26 -0.90 120.40 120.82 3cxc s VAL 34 Ca 0.15 -1.44 -0.33 0.00 0.00 0.00 0.00 61.98 60.37 3cxc s VAL 34 Cb 0.02 -2.08 -0.17 0.00 0.00 0.00 0.00 36.38 34.16 3cxc s VAL 34 CO -0.01 -0.02 0.99 1.57 0.00 0.00 0.00 175.10 177.64 3cxc n HIS 35 N 4.53 0.77 -1.09 5.22 -0.00 0.79 -1.28 115.22 124.16 3cxc n HIS 35 Ca -0.14 0.82 -0.03 0.00 0.46 0.00 0.00 57.72 58.83 3cxc n HIS 35 Cb 0.43 -2.17 -0.01 0.00 -0.12 0.00 0.00 29.99 28.12 3cxc n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3cxc n GLY 36 N 1.85 0.35 3.68 1.57 0.00 -1.26 -4.78 105.19 106.60 3cxc n GLY 36 Ca 0.16 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3cxc n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cxc s TYR 37 N -1.39 3.24 -0.03 1.61 5.04 -0.41 -5.09 117.35 120.32 3cxc s TYR 37 Ca 0.00 0.15 0.02 0.00 -2.44 0.00 0.00 57.07 54.80 3cxc s TYR 37 Cb 0.00 -1.92 0.01 0.00 0.35 0.00 0.00 41.96 40.40 3cxc s TYR 37 CO 0.00 0.36 -0.08 -1.54 -1.34 0.00 0.00 175.55 172.95 3cxc s SER 38 N -0.38 1.15 0.00 4.32 1.04 -1.26 -4.88 113.70 113.70 3cxc s SER 38 Ca 0.08 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.34 3cxc s SER 38 Cb -0.12 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.63 3cxc s SER 38 CO 0.02 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.89 3cxc n GLY 39 N 3.47 1.17 3.49 7.32 0.00 -1.26 -5.11 105.19 114.27 3cxc n GLY 39 Ca -0.20 -0.95 -0.16 0.00 0.00 0.00 0.00 46.02 44.71 3cxc n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3cxc s THR 40 N 2.79 0.00 -0.07 2.61 -1.32 -1.26 -5.07 115.64 113.32 3cxc s THR 40 Ca 0.00 -0.02 -0.34 0.00 -1.21 0.00 0.00 61.69 60.13 3cxc s THR 40 Cb 0.00 -0.99 -0.16 0.00 -1.51 0.00 0.00 72.50 69.83 3cxc s THR 40 CO 0.00 -0.01 0.95 1.17 -2.21 0.00 0.00 174.62 174.52 3cxc n LYS 41 N 0.62 0.00 0.00 7.08 4.81 -1.26 -0.52 118.16 128.89 3cxc n LYS 41 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 3cxc n LYS 41 Cb 0.59 -1.22 0.00 0.00 0.02 0.00 0.00 35.03 34.41 3cxc n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3cxc n ASN 42 N 1.60 0.00 -4.69 3.14 3.02 -1.26 -4.99 115.26 112.08 3cxc n ASN 42 Ca 0.18 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.31 3cxc n ASN 42 Cb 0.04 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 38.82 3cxc n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3cxc s ARG 43 N 0.00 4.35 -0.05 3.52 3.52 0.32 -4.99 118.95 125.61 3cxc s ARG 43 Ca 0.00 1.68 -0.30 0.00 -0.13 0.00 0.00 55.73 56.98 3cxc s ARG 43 Cb 0.00 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 3cxc s ARG 43 CO 0.00 -0.46 1.36 -1.01 -0.81 0.00 0.00 175.30 174.38 3cxc s HIS 44 N 2.25 2.82 -0.01 5.12 3.76 -1.26 -4.60 115.29 123.36 3cxc s HIS 44 Ca 0.56 0.86 -0.36 0.00 -0.15 0.00 0.00 55.06 55.98 3cxc s HIS 44 Cb -0.25 -3.61 -0.14 0.00 1.11 0.00 0.00 32.58 29.69 3cxc s HIS 44 CO 0.22 -2.23 1.66 -0.35 -0.85 0.00 0.00 174.74 173.19 3cxc n PRO 45 N 5.80 1.78 -4.13 8.40 -0.04 -1.26 -4.82 135.00 140.72 3cxc n PRO 45 Ca 0.13 0.65 -0.34 0.00 -0.04 0.00 0.00 63.50 63.90 3cxc n PRO 45 Cb 0.44 -2.40 -0.07 0.00 -0.04 0.00 0.00 33.50 31.43 3cxc n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3cxc s LYS 46 N 2.30 3.10 0.03 0.54 -2.85 -1.26 -1.59 119.74 120.00 3cxc s LYS 46 Ca 0.88 -0.42 0.04 0.00 -1.00 0.00 0.00 55.97 55.47 3cxc s LYS 46 Cb -0.81 -2.89 -0.02 0.00 -2.06 0.00 0.00 37.83 32.06 3cxc s LYS 46 CO 0.49 0.68 -0.11 0.00 0.10 0.00 0.00 175.35 176.50 3cxc s ALA 47 N -1.10 0.94 0.00 0.59 0.00 0.11 -4.93 121.76 117.37 3cxc s ALA 47 Ca 0.20 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.48 3cxc s ALA 47 Cb -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3cxc s ALA 47 CO 0.10 0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.44 3cxc n GLY 48 N 2.13 4.26 3.69 0.00 0.00 -1.26 -0.08 105.19 113.94 3cxc n GLY 48 Ca -0.17 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 3cxc n GLY 48 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cxc s LEU 49 N 0.00 4.40 0.00 0.99 0.20 -1.26 -2.46 118.68 120.54 3cxc s LEU 49 Ca 0.00 2.73 0.00 0.00 0.69 0.00 0.00 54.13 57.55 3cxc s LEU 49 Cb 0.00 -3.56 0.00 0.00 -0.43 0.00 0.00 46.19 42.20 3cxc s LEU 49 CO 0.00 -0.99 0.00 0.61 -0.29 0.00 0.00 176.35 175.68 3cxc n GLY 50 N 4.22 0.78 3.87 7.98 0.00 -0.85 -4.99 105.19 116.21 3cxc n GLY 50 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3cxc n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cxc s ASP 51 N -2.01 6.15 -0.23 1.61 1.01 -1.03 -4.93 116.67 117.24 3cxc s ASP 51 Ca 0.00 0.24 -0.15 0.00 0.71 0.00 0.00 52.55 53.35 3cxc s ASP 51 Cb 0.00 -1.86 -0.04 0.00 1.01 0.00 0.00 42.92 42.03 3cxc s ASP 51 CO 0.00 0.22 0.37 -0.75 0.21 0.00 0.00 175.17 175.22 3cxc s LYS 52 N -2.18 4.11 0.13 8.23 2.20 -1.26 -2.51 119.74 128.45 3cxc s LYS 52 Ca 0.30 0.11 0.09 0.00 -0.36 0.00 0.00 55.97 56.10 3cxc s LYS 52 Cb -0.13 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.58 3cxc s LYS 52 CO 0.22 -0.12 -0.21 0.96 -0.36 0.00 0.00 175.35 175.84 3cxc s ILE 53 N 1.57 1.87 0.23 5.43 -4.36 -0.83 -0.15 121.20 124.95 3cxc s ILE 53 Ca 0.17 -1.70 -0.16 0.00 -0.26 0.00 0.00 60.65 58.69 3cxc s ILE 53 Cb -0.15 -1.73 -0.08 0.00 1.25 0.00 0.00 42.46 41.75 3cxc s ILE 53 CO 0.08 -0.11 0.67 -0.89 0.24 0.00 0.00 174.94 174.94 3cxc s THR 54 N -1.41 4.69 0.22 8.37 2.01 -0.08 -1.12 115.64 128.33 3cxc s THR 54 Ca 0.11 1.03 0.00 0.00 0.31 0.00 0.00 61.69 63.14 3cxc s THR 54 Cb -0.09 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 3cxc s THR 54 CO 0.05 0.11 0.10 -0.69 -0.69 0.00 0.00 174.62 173.50 3cxc s VAL 55 N -1.64 0.32 -0.03 3.82 1.01 0.25 -1.79 120.40 122.35 3cxc s VAL 55 Ca 0.45 -1.99 0.01 0.00 0.00 0.00 0.00 61.98 60.44 3cxc s VAL 55 Cb -0.14 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.76 3cxc s VAL 55 CO 0.20 -0.08 -0.02 -0.55 0.00 0.00 0.00 175.10 174.64 3cxc s SER 56 N -3.22 0.58 -0.28 3.32 0.15 -0.92 -0.81 113.70 112.53 3cxc s SER 56 Ca 0.36 -0.07 -0.29 0.00 0.70 0.00 0.00 55.95 56.65 3cxc s SER 56 Cb 0.07 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 3cxc s SER 56 CO 0.11 -0.06 1.23 -0.69 1.20 0.00 0.00 173.24 175.03 3cxc s VAL 57 N 0.78 4.28 -0.14 4.45 1.01 -0.78 -1.20 120.40 128.80 3cxc s VAL 57 Ca -0.09 1.48 -0.12 0.00 0.00 0.00 0.00 61.98 63.26 3cxc s VAL 57 Cb -0.12 -4.20 -0.10 0.00 0.00 0.00 0.00 36.38 31.97 3cxc s VAL 57 CO -0.01 -0.40 0.16 0.74 0.00 0.00 0.00 175.10 175.59 3cxc h THR 58 N 5.79 0.54 -3.97 3.92 2.02 -1.38 -2.74 112.91 117.10 3cxc h THR 58 Ca -0.24 -1.49 -0.67 0.00 0.77 0.00 0.00 66.41 64.78 3cxc h THR 58 Cb 1.09 1.10 -0.23 0.00 -1.74 0.00 0.00 68.15 68.37 3cxc h THR 58 CO 1.02 0.18 -0.86 -0.54 0.37 0.00 0.00 175.52 175.69 3cxc s LYS 59 N -2.01 1.41 0.00 6.66 1.02 -1.15 -4.81 119.74 120.87 3cxc s LYS 59 Ca -0.13 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.58 3cxc s LYS 59 Cb 0.01 -1.83 0.00 0.00 -0.52 0.00 0.00 37.83 35.49 3cxc s LYS 59 CO 0.30 0.44 0.00 0.41 -0.92 0.00 0.00 175.35 175.58 3cxc n GLY 60 N 1.06 0.55 3.74 -3.33 0.00 -1.26 -1.36 105.19 104.59 3cxc n GLY 60 Ca -0.18 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 3cxc n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cxc s THR 61 N -2.83 2.82 0.51 2.61 -4.23 0.32 -4.71 115.64 110.13 3cxc s THR 61 Ca 0.00 0.67 0.41 0.00 -1.18 0.00 0.00 61.69 61.59 3cxc s THR 61 Cb 0.00 -3.43 0.62 0.00 1.34 0.00 0.00 72.50 71.04 3cxc s THR 61 CO 0.00 0.10 1.60 -0.65 -0.54 0.00 0.00 174.62 175.12 3cxc h PRO 62 N 5.38 0.02 0.00 3.99 0.11 -1.94 1.24 132.00 140.80 3cxc h PRO 62 Ca -0.45 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 3cxc h PRO 62 Cb 1.21 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3cxc h PRO 62 CO 0.79 0.01 -0.48 0.93 -0.21 0.00 0.00 178.00 179.05 3cxc h GLU 63 N 0.02 0.00 0.01 1.05 4.39 -1.96 -3.29 114.58 114.80 3cxc h GLU 63 Ca 0.88 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 60.25 3cxc h GLU 63 Cb 3.23 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 31.83 3cxc h GLU 63 CO -0.21 0.48 -2.00 -1.33 -1.16 0.00 0.00 179.01 174.79 3cxc n MET 64 N -3.40 0.66 -1.65 2.33 2.81 0.41 -4.91 117.12 113.37 3cxc n MET 64 Ca 0.01 0.19 -0.38 0.00 -1.81 0.00 0.00 57.70 55.71 3cxc n MET 64 Cb 0.63 -1.68 0.06 0.00 -0.71 0.00 0.00 33.22 31.52 3cxc n MET 64 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3cxc n ARG 65 N -3.01 0.97 -0.93 0.03 1.74 -0.21 -2.66 116.66 112.58 3cxc n ARG 65 Ca -0.25 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 3cxc n ARG 65 Cb 1.08 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 3cxc n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3cxc n ARG 66 N -1.26 -1.25 -3.37 5.56 1.74 -1.03 -4.97 116.66 112.08 3cxc n ARG 66 Ca 0.14 0.31 -0.35 0.00 -0.77 0.00 0.00 57.85 57.19 3cxc n ARG 66 Cb 0.47 -4.42 -0.06 0.00 -1.02 0.00 0.00 32.46 27.44 3cxc n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3cxc s GLN 67 N -1.38 3.95 -0.47 5.56 -0.21 -1.09 -4.86 119.66 121.16 3cxc s GLN 67 Ca 0.00 0.45 -0.11 0.00 0.02 0.00 0.00 55.36 55.72 3cxc s GLN 67 Cb 0.00 -2.90 0.10 0.00 1.00 0.00 0.00 33.01 31.22 3cxc s GLN 67 CO 0.00 0.46 0.36 0.08 -2.12 0.00 0.00 175.29 174.07 3cxc s VAL 68 N -1.51 4.54 0.53 1.09 1.01 -1.26 -1.87 120.40 122.93 3cxc s VAL 68 Ca 0.39 -1.52 0.03 0.00 0.00 0.00 0.00 61.98 60.88 3cxc s VAL 68 Cb -0.14 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.38 3cxc s VAL 68 CO 0.19 -0.69 0.20 -0.76 0.00 0.00 0.00 175.10 174.05 3cxc s LEU 69 N 1.46 2.50 0.09 3.92 1.43 0.01 -4.90 118.68 123.20 3cxc s LEU 69 Ca 0.04 -1.45 0.06 0.00 -1.03 0.00 0.00 54.13 51.75 3cxc s LEU 69 Cb -0.26 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 3cxc s LEU 69 CO 0.02 -0.97 -0.03 -0.70 0.23 0.00 0.00 176.35 174.89 3cxc s GLU 70 N -4.07 2.41 0.22 1.70 2.12 -1.26 0.84 118.70 120.66 3cxc s GLU 70 Ca 0.20 -0.90 -0.05 0.00 0.36 0.00 0.00 54.97 54.58 3cxc s GLU 70 Cb -0.00 -2.47 0.02 0.00 0.26 0.00 0.00 34.13 31.94 3cxc s GLU 70 CO 0.12 0.53 0.38 0.00 -0.54 0.00 0.00 175.26 175.75 3cxc n ALA 71 N 0.62 -0.62 -3.27 6.30 0.00 -0.27 -0.40 120.51 122.87 3cxc n ALA 71 Ca -0.12 -0.86 -0.16 0.00 0.00 0.00 0.00 53.44 52.31 3cxc n ALA 71 Cb 0.52 0.69 -0.15 0.00 0.00 0.00 0.00 19.45 20.50 3cxc n ALA 71 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3cxc s VAL 72 N -2.57 0.23 -0.32 0.00 1.01 -1.06 -1.97 120.40 115.72 3cxc s VAL 72 Ca 0.13 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 3cxc s VAL 72 Cb -0.02 -0.26 -0.00 0.00 0.00 0.00 0.00 36.38 36.10 3cxc s VAL 72 CO 0.10 0.11 1.39 -0.69 0.00 0.00 0.00 175.10 176.01 3cxc s VAL 73 N 0.48 4.00 -0.11 2.92 1.01 -1.05 -1.09 120.40 126.57 3cxc s VAL 73 Ca -0.05 1.10 0.17 0.00 0.00 0.00 0.00 61.98 63.21 3cxc s VAL 73 Cb -0.08 -4.09 -0.25 0.00 0.00 0.00 0.00 36.38 31.96 3cxc s VAL 73 CO -0.01 -0.52 0.22 0.52 0.00 0.00 0.00 175.10 175.32 3cxc n VAL 74 N 6.48 0.65 -3.78 2.92 0.31 0.97 -2.00 118.33 123.88 3cxc n VAL 74 Ca 0.16 -0.60 -0.13 0.00 -0.01 0.00 0.00 64.34 63.76 3cxc n VAL 74 Cb 0.47 -0.26 -0.11 0.00 -0.91 0.00 0.00 33.84 33.03 3cxc n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3cxc s ARG 75 N -2.83 0.37 0.01 5.55 0.52 -0.76 -3.36 118.95 118.44 3cxc s ARG 75 Ca -0.08 0.28 -0.01 0.00 -0.52 0.00 0.00 55.73 55.40 3cxc s ARG 75 Cb 0.08 0.17 -0.01 0.00 0.52 0.00 0.00 34.95 35.72 3cxc s ARG 75 CO 0.75 -0.06 0.01 1.14 0.02 0.00 0.00 175.30 177.16 3cxc s GLN 76 N -0.10 0.23 0.21 3.54 -2.07 -1.19 -0.55 119.66 119.73 3cxc s GLN 76 Ca -0.02 -0.35 -0.05 0.00 -1.82 0.00 0.00 55.36 53.12 3cxc s GLN 76 Cb -0.03 0.09 0.16 0.00 -1.09 0.00 0.00 33.01 32.14 3cxc s GLN 76 CO 0.01 -0.04 1.61 0.00 -1.32 0.00 0.00 175.29 175.54 3cxc h ARG 77 N 5.12 0.78 -6.81 9.60 3.08 -1.76 -2.39 114.38 122.01 3cxc h ARG 77 Ca -0.29 -0.33 -0.53 0.00 0.07 0.00 0.00 59.98 58.90 3cxc h ARG 77 Cb 1.21 -0.03 0.06 0.00 0.08 0.00 0.00 29.97 31.29 3cxc h ARG 77 CO 0.44 0.95 0.70 0.21 -1.07 0.00 0.00 179.97 181.20 3cxc s LYS 78 N -4.56 4.31 0.79 0.04 2.47 -1.26 -4.09 119.74 117.44 3cxc s LYS 78 Ca -0.09 2.26 -0.14 0.00 -1.56 0.00 0.00 55.97 56.44 3cxc s LYS 78 Cb 0.13 -3.09 0.07 0.00 -1.46 0.00 0.00 37.83 33.48 3cxc s LYS 78 CO 0.84 -0.32 1.21 -2.14 0.16 0.00 0.00 175.35 175.11 3cxc s PRO 79 N -1.02 1.73 0.06 4.03 0.02 -1.26 -4.74 135.00 133.81 3cxc s PRO 79 Ca 0.54 1.79 0.03 0.00 0.02 0.00 0.00 61.00 63.39 3cxc s PRO 79 Cb -0.41 -1.78 -0.03 0.00 0.02 0.00 0.00 34.50 32.30 3cxc s PRO 79 CO 0.48 -2.16 -0.10 0.96 -0.33 0.00 0.00 177.00 175.85 3cxc s ILE 80 N -2.07 0.78 -0.20 2.83 -4.36 -0.55 -4.10 121.20 113.53 3cxc s ILE 80 Ca 0.74 -1.19 -0.08 0.00 -0.26 0.00 0.00 60.65 59.86 3cxc s ILE 80 Cb -0.30 -0.82 -0.04 0.00 1.25 0.00 0.00 42.46 42.55 3cxc s ILE 80 CO 0.49 -0.33 0.08 -0.60 0.24 0.00 0.00 174.94 174.82 3cxc s ARG 81 N -1.69 3.97 0.26 0.37 3.52 -0.69 -0.87 118.95 123.82 3cxc s ARG 81 Ca -0.06 -0.34 -0.03 0.00 -0.13 0.00 0.00 55.73 55.16 3cxc s ARG 81 Cb -0.10 -3.27 -0.05 0.00 -1.56 0.00 0.00 34.95 29.98 3cxc s ARG 81 CO 0.01 0.21 0.50 1.03 -0.81 0.00 0.00 175.30 176.24 3cxc s ARG 82 N 0.56 3.58 0.35 5.12 0.52 -0.70 -1.73 118.95 126.66 3cxc s ARG 82 Ca 0.04 -0.13 0.20 0.00 -0.52 0.00 0.00 55.73 55.32 3cxc s ARG 82 Cb -0.13 -2.71 1.29 0.00 0.52 0.00 0.00 34.95 33.92 3cxc s ARG 82 CO 0.01 0.27 1.51 -2.30 0.02 0.00 0.00 175.30 174.81 3cxc n PRO 83 N -0.91 -0.06 0.00 3.54 -0.02 -1.26 0.11 135.00 136.40 3cxc n PRO 83 Ca -0.03 1.31 0.00 0.00 -2.02 0.00 0.00 63.50 62.77 3cxc n PRO 83 Cb 0.54 -2.37 0.02 0.00 -0.02 0.00 0.00 33.50 31.68 3cxc n PRO 83 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3cxc n ASP 84 N -5.15 0.00 0.00 2.55 5.75 -1.26 -4.86 116.55 113.58 3cxc n ASP 84 Ca 0.36 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 53.32 3cxc n ASP 84 Cb 1.24 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.33 3cxc n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cxc n GLY 85 N 0.44 2.67 3.75 6.12 0.00 0.30 -5.03 105.19 113.44 3cxc n GLY 85 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3cxc n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cxc s THR 86 N -2.14 3.28 0.51 2.61 2.01 -1.25 -4.69 115.64 115.97 3cxc s THR 86 Ca 0.00 1.19 -0.06 0.00 0.31 0.00 0.00 61.69 63.13 3cxc s THR 86 Cb 0.00 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 3cxc s THR 86 CO 0.00 0.25 0.82 -0.13 -0.69 0.00 0.00 174.62 174.87 3cxc s ARG 87 N -1.03 3.47 -0.11 4.92 1.81 -1.26 -1.72 118.95 125.03 3cxc s ARG 87 Ca 0.49 0.22 -0.04 0.00 -1.72 0.00 0.00 55.73 54.68 3cxc s ARG 87 Cb -0.35 -2.34 0.06 0.00 -0.45 0.00 0.00 34.95 31.87 3cxc s ARG 87 CO 0.42 -0.30 0.22 0.08 -0.68 0.00 0.00 175.30 175.04 3cxc s VAL 88 N -2.81 -0.32 0.09 3.52 1.01 -0.05 -4.91 120.40 116.94 3cxc s VAL 88 Ca 0.49 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.81 3cxc s VAL 88 Cb -0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 3cxc s VAL 88 CO 0.46 0.12 -0.12 -1.59 0.00 0.00 0.00 175.10 173.97 3cxc s LYS 89 N 2.25 0.87 0.54 2.72 -2.85 -1.26 -1.48 119.74 120.52 3cxc s LYS 89 Ca 0.01 -1.09 0.06 0.00 -1.00 0.00 0.00 55.97 53.96 3cxc s LYS 89 Cb -0.12 -0.72 0.04 0.00 -2.06 0.00 0.00 37.83 34.97 3cxc s LYS 89 CO -0.07 0.14 0.47 -0.06 0.10 0.00 0.00 175.35 175.93 3cxc s PHE 90 N -1.89 1.68 -0.19 1.78 0.40 -0.90 -5.03 117.98 113.83 3cxc s PHE 90 Ca 0.03 -0.79 0.18 0.00 -0.60 0.00 0.00 56.93 55.75 3cxc s PHE 90 Cb -0.06 -1.99 0.26 0.00 0.51 0.00 0.00 43.02 41.74 3cxc s PHE 90 CO 0.02 -0.57 1.54 1.49 0.70 0.00 0.00 175.22 178.40 3cxc h GLU 91 N 0.67 0.00 0.00 0.44 4.22 -1.93 -3.39 114.58 114.59 3cxc h GLU 91 Ca -0.36 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.01 3cxc h GLU 91 Cb 1.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 3cxc h GLU 91 CO 0.54 0.33 0.02 -0.40 -2.18 0.00 0.00 179.01 177.32 3cxc n ASP 92 N -3.21 -0.72 -4.32 1.04 5.75 -1.26 -4.93 116.55 108.90 3cxc n ASP 92 Ca 0.02 -1.71 -0.33 0.00 -0.01 0.00 0.00 54.79 52.76 3cxc n ASP 92 Cb 0.64 1.26 -0.15 0.00 -1.03 0.00 0.00 41.12 41.84 3cxc n ASP 92 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3cxc s ASN 93 N -1.86 3.87 0.04 -1.12 0.01 -1.26 -3.15 114.94 111.48 3cxc s ASN 93 Ca 0.09 -0.39 -0.13 0.00 -0.71 0.00 0.00 52.86 51.72 3cxc s ASN 93 Cb -0.01 -1.60 0.02 0.00 0.41 0.00 0.00 41.25 40.07 3cxc s ASN 93 CO 0.07 0.12 0.29 0.00 -1.51 0.00 0.00 177.10 176.07 3cxc s ALA 94 N 0.63 -0.64 0.07 0.60 0.00 0.28 -0.94 121.76 121.77 3cxc s ALA 94 Ca -0.08 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 51.86 3cxc s ALA 94 Cb -0.16 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 3cxc s ALA 94 CO 0.03 -0.41 -0.06 0.00 0.00 0.00 0.00 175.76 175.32 3cxc s ALA 95 N -2.58 0.76 -0.21 0.00 0.00 0.17 -0.02 121.76 119.87 3cxc s ALA 95 Ca -0.05 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.76 3cxc s ALA 95 Cb -0.01 0.16 0.04 0.00 0.00 0.00 0.00 23.12 23.31 3cxc s ALA 95 CO -0.04 -0.22 -0.14 0.08 0.00 0.00 0.00 175.76 175.44 3cxc s VAL 96 N -3.17 1.99 0.10 0.00 1.01 -0.25 -0.19 120.40 119.90 3cxc s VAL 96 Ca 0.05 -1.22 -0.36 0.00 0.00 0.00 0.00 61.98 60.46 3cxc s VAL 96 Cb 0.02 -1.98 -0.16 0.00 0.00 0.00 0.00 36.38 34.26 3cxc s VAL 96 CO -0.05 0.23 1.39 -0.38 0.00 0.00 0.00 175.10 176.29 3cxc n ILE 97 N 4.57 0.02 -4.56 2.22 5.41 -1.26 -2.58 119.36 123.18 3cxc n ILE 97 Ca -0.17 -0.01 -0.26 0.00 1.00 0.00 0.00 62.75 63.32 3cxc n ILE 97 Cb 0.46 -0.98 -0.10 0.00 -0.71 0.00 0.00 39.64 38.32 3cxc n ILE 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3cxc s VAL 98 N 0.56 1.39 0.00 1.39 0.11 0.47 -1.92 120.40 122.39 3cxc s VAL 98 Ca 0.83 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.88 3cxc s VAL 98 Cb -0.89 -2.72 0.00 0.00 -1.53 0.00 0.00 36.38 31.24 3cxc s VAL 98 CO 0.45 0.00 0.00 -0.90 -3.33 0.00 0.00 175.10 171.32 3cxc n ASP 99 N -0.95 1.11 -0.13 3.54 5.68 -0.97 -4.17 116.55 120.66 3cxc n ASP 99 Ca -0.06 -0.79 0.10 0.00 -0.50 0.00 0.00 54.79 53.54 3cxc n ASP 99 Cb 0.67 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 41.09 3cxc n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3cxc h GLU 100 N 0.00 0.52 -0.01 0.11 5.08 -1.98 0.58 114.58 118.87 3cxc h GLU 100 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3cxc h GLU 100 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3cxc h GLU 100 CO 0.00 0.34 -0.11 0.09 -1.00 0.00 0.00 179.01 178.33 3cxc n ASN 101 N -4.48 1.47 -0.64 1.42 3.02 -1.26 -4.93 115.26 109.86 3cxc n ASN 101 Ca 0.11 -1.33 -0.05 0.00 -0.03 0.00 0.00 54.58 53.28 3cxc n ASN 101 Cb 0.34 0.07 -0.00 0.00 -0.61 0.00 0.00 39.78 39.58 3cxc n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cxc n GLU 102 N -0.03 -0.54 -3.77 3.52 1.02 0.20 -5.02 120.64 116.02 3cxc n GLU 102 Ca 0.16 0.25 -0.36 0.00 -0.02 0.00 0.00 57.16 57.19 3cxc n GLU 102 Cb 0.38 -3.98 -0.10 0.00 -0.02 0.00 0.00 31.44 27.72 3cxc n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3cxc s ASP 103 N -2.79 5.86 -0.36 1.62 1.01 -1.26 -4.49 116.67 116.26 3cxc s ASP 103 Ca 0.01 0.06 -0.40 0.00 0.71 0.00 0.00 52.55 52.94 3cxc s ASP 103 Cb -0.01 -2.04 -0.15 0.00 1.01 0.00 0.00 42.92 41.73 3cxc s ASP 103 CO 0.01 0.08 1.93 -0.81 0.21 0.00 0.00 175.17 176.60 3cxc n PRO 104 N 4.16 0.84 -0.20 8.23 -0.04 -1.26 -2.29 135.00 144.44 3cxc n PRO 104 Ca -0.16 0.28 0.20 0.00 -0.04 0.00 0.00 63.50 63.79 3cxc n PRO 104 Cb 0.52 -2.05 0.57 0.00 -0.04 0.00 0.00 33.50 32.49 3cxc n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3cxc h ARG 105 N 8.81 0.29 0.00 0.54 2.43 -1.66 -3.42 114.38 121.37 3cxc h ARG 105 Ca -0.35 -0.02 -0.37 0.00 -0.81 0.00 0.00 59.98 58.44 3cxc h ARG 105 Cb 1.34 -0.06 0.09 0.00 -0.42 0.00 0.00 29.97 30.92 3cxc h ARG 105 CO 1.00 0.19 0.18 0.41 -1.51 0.00 0.00 179.97 180.24 3cxc n GLY 106 N -1.57 -0.03 0.13 2.80 0.00 -1.26 -4.95 105.19 100.31 3cxc n GLY 106 Ca 0.18 -1.91 -0.18 0.00 0.00 0.00 0.00 46.02 44.10 3cxc n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cxc n THR 107 N -2.89 1.42 -5.24 2.61 -1.04 -1.26 -5.00 114.28 102.87 3cxc n THR 107 Ca 0.14 -0.52 -0.30 0.00 -2.04 0.00 0.00 64.05 61.32 3cxc n THR 107 Cb 0.48 -1.43 -0.16 0.00 -1.82 0.00 0.00 70.33 67.40 3cxc n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3cxc s GLU 108 N -2.49 2.05 -0.30 -2.82 2.02 -1.26 -5.04 118.70 110.86 3cxc s GLU 108 Ca -0.34 -0.88 -0.14 0.00 0.02 0.00 0.00 54.97 53.63 3cxc s GLU 108 Cb 0.09 -1.96 -0.03 0.00 0.10 0.00 0.00 34.13 32.33 3cxc s GLU 108 CO 0.56 0.52 0.34 -0.51 0.02 0.00 0.00 175.26 176.18 3cxc s LEU 109 N -0.54 4.19 0.02 1.80 1.43 -1.26 -2.50 118.68 121.83 3cxc s LEU 109 Ca 0.08 0.03 -0.22 0.00 -1.03 0.00 0.00 54.13 52.99 3cxc s LEU 109 Cb -0.10 -2.34 -0.06 0.00 0.03 0.00 0.00 46.19 43.73 3cxc s LEU 109 CO -0.01 -0.22 0.64 -0.54 0.23 0.00 0.00 176.35 176.45 3cxc s LYS 110 N 2.00 4.35 0.00 1.70 1.02 -1.15 -4.45 119.74 123.20 3cxc s LYS 110 Ca 0.12 0.82 0.00 0.00 0.02 0.00 0.00 55.97 56.94 3cxc s LYS 110 Cb -0.16 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 3cxc s LYS 110 CO 0.11 0.39 0.00 0.41 -0.92 0.00 0.00 175.35 175.34 3cxc n GLY 111 N 2.31 -1.83 3.76 -3.33 0.00 -1.26 -4.66 105.19 100.17 3cxc n GLY 111 Ca -0.06 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 3cxc n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cxc s PRO 112 N -1.84 0.34 -0.02 1.61 0.04 -1.26 -4.54 135.00 129.33 3cxc s PRO 112 Ca 0.00 0.05 -0.08 0.00 0.04 0.00 0.00 61.00 61.01 3cxc s PRO 112 Cb 0.00 -1.77 0.01 0.00 0.04 0.00 0.00 34.50 32.78 3cxc s PRO 112 CO 0.00 -2.69 0.18 0.42 0.04 0.00 0.00 177.00 174.95 3cxc s ILE 113 N -3.32 0.06 0.38 0.56 1.01 -1.08 -4.87 121.20 113.94 3cxc s ILE 113 Ca 0.68 -0.50 -0.25 0.00 0.00 0.00 0.00 60.65 60.57 3cxc s ILE 113 Cb -0.11 -0.43 -0.09 0.00 0.01 0.00 0.00 42.46 41.84 3cxc s ILE 113 CO 0.54 -0.28 1.13 0.00 0.00 0.00 0.00 174.94 176.33 3cxc s ALA 114 N -1.05 3.17 0.28 9.38 0.00 -1.21 -0.48 121.76 131.85 3cxc s ALA 114 Ca -0.11 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.73 3cxc s ALA 114 Cb -0.06 -3.34 0.41 0.00 0.00 0.00 0.00 23.12 20.13 3cxc s ALA 114 CO 0.02 -0.39 1.79 0.07 0.00 0.00 0.00 175.76 177.25 3cxc h ARG 115 N 2.76 0.69 -0.81 0.00 0.11 -1.82 -2.88 114.38 112.43 3cxc h ARG 115 Ca -0.48 -0.18 0.15 0.00 0.10 0.00 0.00 59.98 59.56 3cxc h ARG 115 Cb 1.23 -0.08 -0.06 0.00 1.11 0.00 0.00 29.97 32.17 3cxc h ARG 115 CO 0.63 0.72 0.53 0.93 0.10 0.00 0.00 179.97 182.88 3cxc h GLU 116 N 0.65 0.51 -0.80 0.08 3.07 -1.87 0.83 114.58 117.05 3cxc h GLU 116 Ca 0.13 -0.03 0.09 0.00 -0.50 0.00 0.00 59.36 59.04 3cxc h GLU 116 Cb 0.44 -0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 28.18 3cxc h GLU 116 CO 0.02 0.34 0.52 0.28 -1.40 0.00 0.00 179.01 178.77 3cxc h VAL 117 N 0.53 0.97 -0.14 3.13 2.07 -1.83 -2.77 116.25 118.22 3cxc h VAL 117 Ca 0.40 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.68 3cxc h VAL 117 Cb 0.79 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 3cxc h VAL 117 CO -0.15 0.14 -0.47 0.00 0.02 0.00 0.00 177.57 177.11 3cxc h ALA 118 N 1.59 -0.82 0.00 1.67 0.00 -0.97 -0.65 119.26 120.08 3cxc h ALA 118 Ca 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3cxc h ALA 118 Cb 0.38 0.96 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3cxc h ALA 118 CO -0.14 -1.00 0.16 1.04 0.00 0.00 0.00 179.25 179.31 3cxc n GLN 119 N -5.02 0.00 -0.01 0.00 6.02 -1.04 -2.62 117.38 114.70 3cxc n GLN 119 Ca -0.05 0.12 -0.03 0.00 -0.01 0.00 0.00 57.00 57.03 3cxc n GLN 119 Cb 0.32 -1.66 -0.01 0.00 1.02 0.00 0.00 30.24 29.92 3cxc n GLN 119 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3cxc n ARG 120 N -1.00 0.06 -3.86 -1.09 1.74 -0.35 -4.87 116.66 107.30 3cxc n ARG 120 Ca 0.00 0.03 -0.29 0.00 -0.77 0.00 0.00 57.85 56.82 3cxc n ARG 120 Cb 0.16 -0.61 -0.11 0.00 -1.02 0.00 0.00 32.46 30.88 3cxc n ARG 120 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3cxc s PHE 121 N -2.06 3.63 0.08 -1.55 2.99 -0.61 -4.98 117.98 115.48 3cxc s PHE 121 Ca -0.04 -3.30 -0.20 0.00 0.00 0.00 0.00 56.93 53.39 3cxc s PHE 121 Cb 0.02 -2.79 -0.06 0.00 0.00 0.00 0.00 43.02 40.18 3cxc s PHE 121 CO 0.05 -0.57 1.33 0.78 -0.00 0.00 0.00 175.22 176.81 3cxc h GLY 122 N 5.47 -1.42 0.70 4.36 0.00 -1.82 -0.31 103.07 110.05 3cxc h GLY 122 Ca 0.15 0.80 0.18 0.00 0.00 0.00 0.00 47.33 48.45 3cxc h GLY 122 CO 0.74 -0.37 0.48 1.48 0.00 0.00 0.00 176.54 178.86 3cxc h SER 123 N -0.20 0.00 -0.12 0.19 4.64 -1.93 0.64 113.55 116.77 3cxc h SER 123 Ca 0.05 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.16 3cxc h SER 123 Cb 0.34 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3cxc h SER 123 CO -0.39 0.00 -0.71 0.58 -0.87 0.00 0.00 176.83 175.45 3cxc h VAL 124 N 0.00 1.29 -0.03 0.95 2.07 -1.35 -3.22 116.25 115.96 3cxc h VAL 124 Ca 0.29 -1.92 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 3cxc h VAL 124 Cb 1.24 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 3cxc h VAL 124 CO -0.00 0.61 -0.03 0.00 0.02 0.00 0.00 177.57 178.17 3cxc h ALA 125 N 0.66 0.05 0.00 1.67 0.00 0.14 -3.06 119.26 118.71 3cxc h ALA 125 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3cxc h ALA 125 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3cxc h ALA 125 CO 0.14 -0.19 0.00 -1.13 0.00 0.00 0.00 179.25 178.08 3cxc n SER 126 N -4.80 0.34 0.00 0.00 3.41 0.17 -0.20 113.62 112.55 3cxc n SER 126 Ca -0.08 -0.88 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 3cxc n SER 126 Cb 0.27 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3cxc n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cxc n ALA 127 N 0.10 1.39 -2.00 7.33 0.00 -1.16 -5.01 120.51 121.16 3cxc n ALA 127 Ca 0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 53.44 52.82 3cxc n ALA 127 Cb 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.49 3cxc n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cxc s ALA 128 N -0.15 3.35 -0.04 0.00 0.00 0.73 -4.06 121.76 121.59 3cxc s ALA 128 Ca 0.00 0.77 -0.11 0.00 0.00 0.00 0.00 51.96 52.61 3cxc s ALA 128 Cb 0.00 -3.32 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 3cxc s ALA 128 CO 0.00 -0.12 0.51 1.15 0.00 0.00 0.00 175.76 177.31 3cxc h THR 129 N 3.58 0.00 -3.75 0.00 2.02 -1.83 -3.46 112.91 109.48 3cxc h THR 129 Ca -0.45 -0.58 -0.68 0.00 0.77 0.00 0.00 66.41 65.48 3cxc h THR 129 Cb 1.21 0.00 -0.19 0.00 -1.74 0.00 0.00 68.15 67.43 3cxc h THR 129 CO 0.71 0.00 -0.78 -0.04 0.37 0.00 0.00 175.52 175.77 3cxc s MET 130 N -2.90 1.97 -0.24 6.66 -1.94 -1.26 -5.10 119.30 116.50 3cxc s MET 130 Ca -0.06 -1.07 -0.04 0.00 -1.71 0.00 0.00 55.69 52.81 3cxc s MET 130 Cb 0.01 -2.20 0.08 0.00 2.01 0.00 0.00 34.83 34.73 3cxc s MET 130 CO 0.18 0.51 0.10 0.42 -0.01 0.00 0.00 175.02 176.22 3cxc s ILE 131 N -1.09 0.04 -2.42 2.53 1.01 -1.26 -2.64 121.20 117.37 3cxc s ILE 131 Ca 0.18 -0.56 0.29 0.00 0.00 0.00 0.00 60.65 60.55 3cxc s ILE 131 Cb -0.11 -0.88 0.61 0.00 0.01 0.00 0.00 42.46 42.10 3cxc s ILE 131 CO 0.09 -0.51 1.83 0.52 0.00 0.00 0.00 174.94 176.87