#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxh s VAL 2 N 0.00 4.32 -0.09 3.84 1.01 -1.26 -4.12 120.40 124.10 3cxh s VAL 2 Ca 0.00 1.76 -0.08 0.00 0.00 0.00 0.00 61.98 63.66 3cxh s VAL 2 Cb 0.00 -4.15 0.03 0.00 0.00 0.00 0.00 36.38 32.25 3cxh s VAL 2 CO 0.00 0.49 0.23 -0.54 0.00 0.00 0.00 175.10 175.28 3cxh s LYS 3 N -1.24 0.26 -0.23 2.72 -0.14 0.09 -5.00 119.74 116.22 3cxh s LYS 3 Ca 0.38 0.35 -0.02 0.00 -1.36 0.00 0.00 55.97 55.31 3cxh s LYS 3 Cb -0.23 0.10 0.01 0.00 -1.68 0.00 0.00 37.83 36.03 3cxh s LYS 3 CO 0.27 -0.05 -0.08 -0.51 -0.76 0.00 0.00 175.35 174.22 3cxh s LEU 4 N 0.26 2.89 -0.27 3.17 1.02 -1.26 -1.36 118.68 123.12 3cxh s LEU 4 Ca -0.01 -0.66 -0.02 0.00 0.02 0.00 0.00 54.13 53.46 3cxh s LEU 4 Cb -0.03 -1.66 0.03 0.00 0.02 0.00 0.00 46.19 44.56 3cxh s LEU 4 CO -0.01 -0.07 -0.03 -1.58 0.02 0.00 0.00 176.35 174.69 3cxh s GLN 5 N 1.37 2.75 0.24 1.70 2.00 0.12 -3.87 119.66 123.97 3cxh s GLN 5 Ca 0.03 -1.05 -0.09 0.00 -2.00 0.00 0.00 55.36 52.26 3cxh s GLN 5 Cb -0.15 -3.08 -0.07 0.00 0.80 0.00 0.00 33.01 30.51 3cxh s GLN 5 CO -0.06 -0.47 0.55 -1.21 -0.50 0.00 0.00 175.29 173.61 3cxh s GLU 6 N 1.32 3.77 0.20 1.67 2.02 -1.26 0.33 118.70 126.76 3cxh s GLU 6 Ca -0.01 0.23 -0.21 0.00 0.02 0.00 0.00 54.97 55.00 3cxh s GLU 6 Cb -0.18 -2.65 0.05 0.00 0.10 0.00 0.00 34.13 31.46 3cxh s GLU 6 CO -0.03 0.30 0.61 -1.54 0.02 0.00 0.00 175.26 174.62 3cxh s SER 7 N -2.48 -0.42 0.00 -0.19 1.04 -0.14 -4.97 113.70 106.53 3cxh s SER 7 Ca 0.47 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.63 3cxh s SER 7 Cb -0.11 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3cxh s SER 7 CO 0.23 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.97 3cxh n GLY 8 N -0.39 3.53 3.57 7.32 0.00 -1.26 -1.06 105.19 116.90 3cxh n GLY 8 Ca -0.12 -1.78 -0.48 0.00 0.00 0.00 0.00 46.02 43.64 3cxh n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxh n ALA 9 N -1.60 1.11 -0.22 4.61 0.00 -1.25 -4.86 120.51 118.30 3cxh n ALA 9 Ca 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.37 3cxh n ALA 9 Cb 0.00 -2.60 0.12 0.00 0.00 0.00 0.00 19.45 16.97 3cxh n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cxh n GLY 10 N 5.53 3.21 3.38 0.00 0.00 -1.26 -4.72 105.19 111.33 3cxh n GLY 10 Ca 0.32 -0.60 0.02 0.00 0.00 0.00 0.00 46.02 45.76 3cxh n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cxh s LEU 11 N -1.80 -0.83 -0.03 0.99 0.20 -1.26 -2.73 118.68 113.21 3cxh s LEU 11 Ca 0.32 0.92 0.03 0.00 0.69 0.00 0.00 54.13 56.09 3cxh s LEU 11 Cb 0.26 1.86 -0.00 0.00 -0.43 0.00 0.00 46.19 47.88 3cxh s LEU 11 CO 0.07 -0.16 -0.12 0.68 -0.29 0.00 0.00 176.35 176.53 3cxh s VAL 12 N 2.70 1.02 0.32 1.68 -7.23 -0.88 -4.94 120.40 113.08 3cxh s VAL 12 Ca 0.01 -0.50 -0.28 0.00 -1.81 0.00 0.00 61.98 59.40 3cxh s VAL 12 Cb -0.10 -0.89 -0.10 0.00 0.56 0.00 0.00 36.38 35.86 3cxh s VAL 12 CO -0.17 0.30 1.17 -1.10 -0.31 0.00 0.00 175.10 174.99 3cxh s GLN 13 N 0.08 4.42 0.24 4.82 -0.21 -1.24 -2.09 119.66 125.68 3cxh s GLN 13 Ca -0.02 1.91 -0.31 0.00 0.02 0.00 0.00 55.36 56.96 3cxh s GLN 13 Cb -0.09 -3.02 -0.13 0.00 1.00 0.00 0.00 33.01 30.76 3cxh s GLN 13 CO 0.01 -0.02 1.39 -0.35 -2.12 0.00 0.00 175.29 174.20 3cxh n PRO 14 N 0.80 2.00 0.00 2.91 -0.04 -1.26 -1.60 135.00 137.81 3cxh n PRO 14 Ca 0.01 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 3cxh n PRO 14 Cb 0.44 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 3cxh n PRO 14 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3cxh n SER 15 N 2.10 0.00 -4.11 3.54 2.88 -0.33 -4.92 113.62 112.78 3cxh n SER 15 Ca 0.11 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.36 3cxh n SER 15 Cb 0.31 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 63.96 3cxh n SER 15 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3cxh s GLN 16 N -0.64 0.60 -0.07 -1.46 -1.52 -0.63 -3.62 119.66 112.33 3cxh s GLN 16 Ca 0.00 -0.59 -0.07 0.00 -1.95 0.00 0.00 55.36 52.75 3cxh s GLN 16 Cb 0.00 -1.90 -0.04 0.00 -0.22 0.00 0.00 33.01 30.85 3cxh s GLN 16 CO 0.00 -2.40 0.19 -1.12 -0.25 0.00 0.00 175.29 171.72 3cxh s SER 17 N -4.92 6.44 -0.18 5.90 0.01 -1.26 -2.04 113.70 117.65 3cxh s SER 17 Ca 0.75 0.50 -0.14 0.00 1.31 0.00 0.00 55.95 58.36 3cxh s SER 17 Cb -0.03 -2.07 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 3cxh s SER 17 CO 0.52 0.35 0.32 -0.22 0.41 0.00 0.00 173.24 174.62 3cxh s LEU 18 N -1.33 4.21 -0.25 2.44 2.96 -0.09 -4.94 118.68 121.68 3cxh s LEU 18 Ca 0.20 0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 54.60 3cxh s LEU 18 Cb -0.13 -2.41 0.07 0.00 0.50 0.00 0.00 46.19 44.22 3cxh s LEU 18 CO 0.10 0.04 0.01 -0.44 -1.32 0.00 0.00 176.35 174.73 3cxh s SER 19 N 0.70 3.70 0.05 3.68 0.01 -1.26 -1.68 113.70 118.89 3cxh s SER 19 Ca 0.17 -1.24 0.07 0.00 1.31 0.00 0.00 55.95 56.26 3cxh s SER 19 Cb -0.14 -0.99 -0.03 0.00 0.21 0.00 0.00 66.02 65.07 3cxh s SER 19 CO 0.05 -0.30 -0.17 -0.76 0.41 0.00 0.00 173.24 172.47 3cxh s LEU 20 N 1.53 2.67 -0.07 2.44 1.43 -0.76 -3.86 118.68 122.06 3cxh s LEU 20 Ca -0.00 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 3cxh s LEU 20 Cb -0.18 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.50 3cxh s LEU 20 CO -0.10 0.25 -0.14 0.28 0.23 0.00 0.00 176.35 176.87 3cxh s THR 21 N -0.95 1.25 -0.27 5.49 -1.32 -0.23 -1.21 115.64 118.40 3cxh s THR 21 Ca 0.15 -0.55 -0.05 0.00 -1.21 0.00 0.00 61.69 60.03 3cxh s THR 21 Cb -0.11 -1.13 0.01 0.00 -1.51 0.00 0.00 72.50 69.77 3cxh s THR 21 CO 0.06 0.38 0.02 0.00 -2.21 0.00 0.00 174.62 172.87 3cxh s SER 23 N 1.45 6.20 -0.16 0.00 0.01 0.15 -1.94 113.70 119.41 3cxh s SER 23 Ca 0.02 -0.38 -0.11 0.00 1.31 0.00 0.00 55.95 56.79 3cxh s SER 23 Cb -0.17 -2.22 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 3cxh s SER 23 CO -0.00 -0.45 0.19 -0.69 0.41 0.00 0.00 173.24 172.69 3cxh s VAL 24 N 2.11 5.39 0.04 3.43 1.01 -1.01 -0.70 120.40 130.67 3cxh s VAL 24 Ca 0.13 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.45 3cxh s VAL 24 Cb -0.17 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 3cxh s VAL 24 CO 0.13 0.47 -0.09 0.42 0.00 0.00 0.00 175.10 176.02 3cxh s THR 25 N 0.04 0.67 0.00 3.92 -4.23 -0.46 -4.77 115.64 110.80 3cxh s THR 25 Ca 0.12 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 3cxh s THR 25 Cb -0.12 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 73.02 3cxh s THR 25 CO 0.01 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 3cxh n GLY 26 N 1.55 2.42 3.28 3.99 0.00 -1.26 -0.73 105.19 114.44 3cxh n GLY 26 Ca -0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 3cxh n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cxh s TYR 27 N -2.32 0.48 -0.13 1.61 5.04 -1.26 -4.63 117.35 116.13 3cxh s TYR 27 Ca 0.00 -0.85 -0.02 0.00 -2.44 0.00 0.00 57.07 53.76 3cxh s TYR 27 Cb 0.00 -0.15 -0.02 0.00 0.35 0.00 0.00 41.96 42.13 3cxh s TYR 27 CO 0.00 -0.65 -0.07 0.45 -1.34 0.00 0.00 175.55 173.93 3cxh s SER 28 N -2.97 4.53 0.28 4.32 0.15 -1.26 -4.96 113.70 113.79 3cxh s SER 28 Ca 0.17 -0.16 -0.01 0.00 0.70 0.00 0.00 55.95 56.66 3cxh s SER 28 Cb 0.04 -1.58 0.47 0.00 -1.71 0.00 0.00 66.02 63.24 3cxh s SER 28 CO -0.01 0.22 1.89 0.40 1.20 0.00 0.00 173.24 176.94 3cxh h ILE 29 N 4.99 1.06 0.00 6.45 1.08 -1.93 -1.95 117.51 127.22 3cxh h ILE 29 Ca -0.34 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 63.75 3cxh h ILE 29 Cb 1.19 -0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 3cxh h ILE 29 CO 0.58 0.20 0.00 0.00 -0.69 0.00 0.00 178.15 178.25 3cxh h THR 30 N 1.11 0.00 -0.47 -0.27 1.03 -1.93 -3.37 112.91 109.01 3cxh h THR 30 Ca 0.43 -0.93 0.08 0.00 -0.01 0.00 0.00 66.41 65.97 3cxh h THR 30 Cb 0.21 1.93 -0.10 0.00 -1.07 0.00 0.00 68.15 69.12 3cxh h THR 30 CO -0.17 0.00 -0.42 0.28 -0.01 0.00 0.00 175.52 175.20 3cxh h SER 31 N 0.00 -1.42 0.00 0.00 0.02 -1.64 -3.44 113.55 107.07 3cxh h SER 31 Ca 0.00 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3cxh h SER 31 Cb 0.96 0.63 0.00 0.00 0.14 0.00 0.00 62.40 64.13 3cxh h SER 31 CO 0.00 -0.35 0.00 0.61 -1.14 0.00 0.00 176.83 175.95 3cxh n GLY 32 N -1.41 0.00 0.00 -3.77 0.00 -1.26 -5.05 105.19 93.70 3cxh n GLY 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3cxh n GLY 32 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cxh n TYR 33 N 0.00 0.00 -4.86 1.61 4.01 -1.26 -4.60 117.16 112.05 3cxh n TYR 33 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.41 3cxh n TYR 33 Cb 0.00 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 38.89 3cxh n TYR 33 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3cxh s TYR 34 N 1.72 2.75 -0.44 -0.72 2.02 -0.77 -1.96 117.35 119.96 3cxh s TYR 34 Ca 0.00 -0.55 -0.06 0.00 -0.37 0.00 0.00 57.07 56.09 3cxh s TYR 34 Cb 0.00 -1.77 0.11 0.00 -0.40 0.00 0.00 41.96 39.90 3cxh s TYR 34 CO 0.00 -0.12 0.27 -1.58 -1.57 0.00 0.00 175.55 172.55 3cxh s TRP 35 N 0.04 3.48 0.61 2.71 0.52 -0.79 0.09 118.94 125.61 3cxh s TRP 35 Ca -0.05 -2.07 0.02 0.00 0.02 0.00 0.00 56.10 54.01 3cxh s TRP 35 Cb -0.15 -3.31 0.07 0.00 -1.15 0.00 0.00 33.47 28.94 3cxh s TRP 35 CO 0.04 -0.97 0.84 -0.80 0.02 0.00 0.00 176.95 176.09 3cxh s ASN 36 N 2.24 4.95 -0.02 2.95 0.01 0.89 -2.29 114.94 123.66 3cxh s ASN 36 Ca 0.06 -0.25 0.00 0.00 -0.71 0.00 0.00 52.86 51.97 3cxh s ASN 36 Cb -0.24 -0.43 0.03 0.00 0.41 0.00 0.00 41.25 41.01 3cxh s ASN 36 CO -0.02 -1.40 0.01 0.26 -1.51 0.00 0.00 177.10 174.45 3cxh s TRP 37 N -2.86 0.16 0.04 2.20 0.52 -0.66 -1.75 118.94 116.58 3cxh s TRP 37 Ca 0.61 0.06 -0.03 0.00 0.02 0.00 0.00 56.10 56.75 3cxh s TRP 37 Cb -0.08 -0.30 -0.02 0.00 -1.15 0.00 0.00 33.47 31.92 3cxh s TRP 37 CO 0.40 -0.10 0.04 -1.50 0.02 0.00 0.00 176.95 175.82 3cxh s ILE 38 N 0.95 0.15 -0.00 2.03 2.07 0.54 -1.36 121.20 125.57 3cxh s ILE 38 Ca -0.09 -1.24 0.03 0.00 -1.41 0.00 0.00 60.65 57.94 3cxh s ILE 38 Cb -0.12 -0.95 -0.01 0.00 0.13 0.00 0.00 42.46 41.51 3cxh s ILE 38 CO -0.02 -0.69 -0.10 0.00 -1.91 0.00 0.00 174.94 172.22 3cxh s ARG 39 N -2.78 0.78 -0.40 3.50 1.70 -0.87 0.41 118.95 121.30 3cxh s ARG 39 Ca -0.04 -0.39 -0.08 0.00 -0.47 0.00 0.00 55.73 54.75 3cxh s ARG 39 Cb -0.00 -0.75 0.07 0.00 -0.57 0.00 0.00 34.95 33.70 3cxh s ARG 39 CO -0.06 0.20 0.22 -1.17 -1.08 0.00 0.00 175.30 173.41 3cxh s LEU 40 N -0.35 4.94 0.66 -1.89 2.96 0.06 -2.19 118.68 122.87 3cxh s LEU 40 Ca 0.03 -1.41 -0.16 0.00 -0.22 0.00 0.00 54.13 52.38 3cxh s LEU 40 Cb -0.04 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.69 3cxh s LEU 40 CO -0.00 -0.48 1.14 -0.36 -1.32 0.00 0.00 176.35 175.33 3cxh s PHE 41 N 1.42 2.46 -0.57 5.38 0.40 -0.96 -1.73 117.98 124.38 3cxh s PHE 41 Ca 0.02 1.56 -0.26 0.00 -0.60 0.00 0.00 56.93 57.65 3cxh s PHE 41 Cb -0.22 -3.28 -0.06 0.00 0.51 0.00 0.00 43.02 39.97 3cxh s PHE 41 CO 0.02 -1.94 2.24 -1.25 0.70 0.00 0.00 175.22 174.98 3cxh s PRO 42 N -3.91 2.22 0.00 0.24 0.04 -1.26 -2.21 135.00 130.11 3cxh s PRO 42 Ca 0.70 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.78 3cxh s PRO 42 Cb -0.24 -4.56 0.00 0.00 0.04 0.00 0.00 34.50 29.74 3cxh s PRO 42 CO 0.40 -3.23 0.00 0.41 0.04 0.00 0.00 177.00 174.63 3cxh n GLY 43 N 6.01 1.05 2.89 0.56 0.00 -1.26 -4.98 105.19 109.46 3cxh n GLY 43 Ca 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.35 3cxh n GLY 43 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cxh n ASN 44 N 0.00 -7.11 -3.15 1.61 3.02 -0.94 -5.07 115.26 103.62 3cxh n ASN 44 Ca 0.00 1.06 0.04 0.00 -0.03 0.00 0.00 54.58 55.66 3cxh n ASN 44 Cb 0.00 -3.92 -0.01 0.00 -0.61 0.00 0.00 39.78 35.24 3cxh n ASN 44 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3cxh s LYS 45 N -1.31 0.43 0.16 3.52 -2.85 -1.25 -4.99 119.74 113.44 3cxh s LYS 45 Ca -0.02 0.69 -0.22 0.00 -1.00 0.00 0.00 55.97 55.43 3cxh s LYS 45 Cb 0.00 0.38 -0.08 0.00 -2.06 0.00 0.00 37.83 36.07 3cxh s LYS 45 CO 0.49 -0.54 0.71 -0.51 0.10 0.00 0.00 175.35 175.60 3cxh s LEU 46 N 2.89 4.51 -0.03 2.77 1.43 -1.26 -2.27 118.68 126.71 3cxh s LEU 46 Ca 0.14 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 3cxh s LEU 46 Cb -0.12 -3.28 0.03 0.00 0.03 0.00 0.00 46.19 42.85 3cxh s LEU 46 CO -0.19 0.18 0.01 -0.70 0.23 0.00 0.00 176.35 175.87 3cxh s GLU 47 N -1.38 0.27 -0.09 1.70 2.12 -0.93 -5.02 118.70 115.36 3cxh s GLU 47 Ca 0.36 0.11 -0.30 0.00 0.36 0.00 0.00 54.97 55.51 3cxh s GLU 47 Cb -0.20 -0.50 -0.01 0.00 0.26 0.00 0.00 34.13 33.67 3cxh s GLU 47 CO 0.23 -0.17 1.02 -0.46 -0.54 0.00 0.00 175.26 175.34 3cxh s TRP 48 N 1.19 3.51 -0.19 5.30 -0.00 -1.26 -2.05 118.94 125.43 3cxh s TRP 48 Ca -0.07 1.58 -0.23 0.00 -0.00 0.00 0.00 56.10 57.38 3cxh s TRP 48 Cb -0.13 -3.20 -0.21 0.00 -0.00 0.00 0.00 33.47 29.93 3cxh s TRP 48 CO -0.02 -0.27 0.34 0.28 -0.00 0.00 0.00 176.95 177.27 3cxh h VAL 49 N 5.07 1.10 0.00 5.86 2.07 -1.58 -3.42 116.25 125.35 3cxh h VAL 49 Ca -0.32 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 64.98 3cxh h VAL 49 Cb 1.15 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 3cxh h VAL 49 CO 0.85 0.39 0.00 0.61 0.02 0.00 0.00 177.57 179.44 3cxh n GLY 50 N 1.48 -1.91 1.58 2.17 0.00 -1.18 -0.46 105.19 106.86 3cxh n GLY 50 Ca -0.27 -1.23 -0.05 0.00 0.00 0.00 0.00 46.02 44.46 3cxh n GLY 50 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3cxh n TYR 51 N 4.78 -1.23 -3.65 1.61 -0.00 0.51 -1.66 117.16 117.52 3cxh n TYR 51 Ca 0.00 -0.94 -0.13 0.00 -0.00 0.00 0.00 57.90 56.83 3cxh n TYR 51 Cb 0.00 0.32 -0.12 0.00 -0.00 0.00 0.00 39.34 39.54 3cxh n TYR 51 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.86 175.36 3cxh s ILE 52 N -2.60 -0.46 1.07 -3.48 2.07 -0.97 -2.80 121.20 114.02 3cxh s ILE 52 Ca 0.10 0.23 -0.16 0.00 -1.41 0.00 0.00 60.65 59.42 3cxh s ILE 52 Cb -0.01 -0.51 0.23 0.00 0.13 0.00 0.00 42.46 42.30 3cxh s ILE 52 CO 0.07 0.09 1.15 -0.94 -1.91 0.00 0.00 174.94 173.40 3cxh s SER 53 N 2.46 2.09 0.57 4.50 1.04 -0.56 -1.89 113.70 121.92 3cxh s SER 53 Ca 0.01 0.73 0.33 0.00 0.48 0.00 0.00 55.95 57.51 3cxh s SER 53 Cb -0.12 -1.09 1.73 0.00 0.10 0.00 0.00 66.02 66.64 3cxh s SER 53 CO -0.10 -3.41 2.15 -0.55 0.98 0.00 0.00 173.24 172.32 3cxh h ASN 54 N -2.09 0.00 0.12 7.02 7.08 -1.56 -2.85 115.58 123.30 3cxh h ASN 54 Ca -0.48 0.00 -0.27 0.00 -3.08 0.00 0.00 56.30 52.47 3cxh h ASN 54 Cb 1.30 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.54 3cxh h ASN 54 CO 0.45 0.06 -1.38 0.58 -2.08 0.00 0.00 177.43 175.05 3cxh h VAL 55 N 0.00 1.05 0.00 6.14 2.07 -1.86 -3.39 116.25 120.26 3cxh h VAL 55 Ca -0.00 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.11 3cxh h VAL 55 Cb 0.25 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 3cxh h VAL 55 CO 0.01 0.71 0.00 0.61 0.02 0.00 0.00 177.57 178.91 3cxh n GLY 56 N 1.74 -1.00 3.70 2.17 0.00 -1.07 -5.13 105.19 105.60 3cxh n GLY 56 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 3cxh n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cxh s ASP 57 N 0.00 6.74 -0.16 1.61 1.01 -1.26 -4.73 116.67 119.88 3cxh s ASP 57 Ca 0.00 2.37 -0.09 0.00 0.71 0.00 0.00 52.55 55.55 3cxh s ASP 57 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 3cxh s ASP 57 CO 0.00 -0.75 0.14 0.20 0.21 0.00 0.00 175.17 174.97 3cxh s ASN 58 N 1.54 6.31 -0.21 0.27 0.02 -1.26 -1.49 114.94 120.11 3cxh s ASN 58 Ca 0.67 0.37 -0.03 0.00 -1.02 0.00 0.00 52.86 52.85 3cxh s ASN 58 Cb -0.38 -2.08 0.07 0.00 0.02 0.00 0.00 41.25 38.88 3cxh s ASN 58 CO 0.30 0.30 0.07 0.21 0.02 0.00 0.00 177.10 178.00 3cxh s ASN 59 N -0.37 2.93 0.41 -1.22 3.04 -1.12 -5.00 114.94 113.61 3cxh s ASN 59 Ca 0.12 -0.90 0.08 0.00 0.04 0.00 0.00 52.86 52.19 3cxh s ASN 59 Cb -0.12 -0.48 -0.02 0.00 -1.54 0.00 0.00 41.25 39.09 3cxh s ASN 59 CO 0.01 -0.35 0.35 -0.31 -3.04 0.00 0.00 177.10 173.77 3cxh s TYR 60 N 1.96 2.72 -0.09 0.43 2.02 -1.26 -0.37 117.35 122.76 3cxh s TYR 60 Ca 0.02 -0.48 -0.27 0.00 -0.37 0.00 0.00 57.07 55.97 3cxh s TYR 60 Cb -0.17 -2.12 -0.02 0.00 -0.40 0.00 0.00 41.96 39.25 3cxh s TYR 60 CO -0.14 -0.07 0.86 1.21 -1.57 0.00 0.00 175.55 175.85 3cxh s ASN 61 N -4.10 7.12 0.42 2.29 3.04 0.39 -4.89 114.94 119.20 3cxh s ASN 61 Ca 0.47 1.36 0.22 0.00 0.04 0.00 0.00 52.86 54.95 3cxh s ASN 61 Cb -0.03 -2.49 1.20 0.00 -1.54 0.00 0.00 41.25 38.39 3cxh s ASN 61 CO 0.27 -0.29 1.64 1.55 -3.04 0.00 0.00 177.10 177.22 3cxh h PRO 62 N 7.00 0.00 0.00 0.43 0.13 -1.94 0.82 132.00 138.44 3cxh h PRO 62 Ca -0.36 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.66 3cxh h PRO 62 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3cxh h PRO 62 CO 0.80 0.00 -0.54 1.03 -0.23 0.00 0.00 178.00 179.06 3cxh h SER 63 N 0.00 0.00 0.00 1.44 0.87 -1.95 -3.31 113.55 110.59 3cxh h SER 63 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3cxh h SER 63 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 3cxh h SER 63 CO 0.00 0.54 0.00 0.18 -0.53 0.00 0.00 176.83 177.02 3cxh n LEU 64 N -3.81 1.09 0.16 2.23 4.77 0.03 -4.84 117.00 116.63 3cxh n LEU 64 Ca -0.01 -1.09 0.07 0.00 -0.03 0.00 0.00 56.01 54.95 3cxh n LEU 64 Cb 0.56 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 42.01 3cxh n LEU 64 CO 0.41 0.27 0.79 2.29 -1.33 0.00 0.00 177.39 179.82 3cxh n LYS 65 N -0.17 0.09 0.00 3.23 2.85 0.07 -1.19 118.16 123.03 3cxh n LYS 65 Ca 0.00 0.57 0.11 0.00 -1.05 0.00 0.00 58.31 57.93 3cxh n LYS 65 Cb 0.18 -2.08 -0.01 0.00 -0.65 0.00 0.00 35.03 32.48 3cxh n LYS 65 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3cxh n ASP 66 N -2.04 1.97 -0.01 -5.58 5.75 -1.26 -4.60 116.55 110.77 3cxh n ASP 66 Ca -0.01 -1.48 -0.01 0.00 -0.01 0.00 0.00 54.79 53.28 3cxh n ASP 66 Cb 0.31 0.48 -0.01 0.00 -1.03 0.00 0.00 41.12 40.87 3cxh n ASP 66 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3cxh n ARG 67 N -0.05 1.03 -1.76 0.11 1.74 -0.33 -5.01 116.66 112.40 3cxh n ARG 67 Ca 0.09 0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.87 3cxh n ARG 67 Cb 0.45 -1.04 0.04 0.00 -1.02 0.00 0.00 32.46 30.89 3cxh n ARG 67 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 3cxh s LEU 68 N -4.85 3.00 -0.38 0.55 0.05 -1.02 -2.53 118.68 113.50 3cxh s LEU 68 Ca -0.02 1.35 0.06 0.00 0.05 0.00 0.00 54.13 55.57 3cxh s LEU 68 Cb 0.01 -4.21 0.18 0.00 -2.05 0.00 0.00 46.19 40.11 3cxh s LEU 68 CO 0.05 -1.32 0.55 -0.55 -0.55 0.00 0.00 176.35 174.53 3cxh s SER 69 N -4.11 -0.79 -0.74 1.48 0.15 -0.61 -4.96 113.70 104.13 3cxh s SER 69 Ca 0.58 -0.80 -0.22 0.00 0.70 0.00 0.00 55.95 56.20 3cxh s SER 69 Cb -0.12 1.59 0.08 0.00 -1.71 0.00 0.00 66.02 65.86 3cxh s SER 69 CO 0.54 -0.22 1.05 -0.63 1.20 0.00 0.00 173.24 175.17 3cxh s ILE 70 N 1.94 4.33 0.36 6.45 1.01 -1.26 -3.14 121.20 130.89 3cxh s ILE 70 Ca 0.15 -0.56 0.06 0.00 0.00 0.00 0.00 60.65 60.29 3cxh s ILE 70 Cb -0.08 -4.74 0.06 0.00 0.01 0.00 0.00 42.46 37.71 3cxh s ILE 70 CO -0.11 -1.52 0.47 0.35 0.00 0.00 0.00 174.94 174.13 3cxh n THR 71 N 5.93 0.00 -3.69 2.92 -2.24 -1.13 -4.82 114.28 111.25 3cxh n THR 71 Ca 0.04 -1.25 -0.10 0.00 -2.27 0.00 0.00 64.05 60.47 3cxh n THR 71 Cb 0.47 -0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 68.05 3cxh n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cxh s ARG 72 N -3.63 1.29 -0.37 -0.78 1.70 -1.26 -0.30 118.95 115.60 3cxh s ARG 72 Ca 0.35 -0.80 0.00 0.00 -0.47 0.00 0.00 55.73 54.81 3cxh s ARG 72 Cb -0.03 0.51 0.12 0.00 -0.57 0.00 0.00 34.95 34.98 3cxh s ARG 72 CO 0.22 -0.54 0.18 0.34 -1.08 0.00 0.00 175.30 174.42 3cxh s ASP 73 N -2.85 3.65 0.33 -2.89 -1.08 0.52 -4.97 116.67 109.38 3cxh s ASP 73 Ca 0.07 -2.11 0.07 0.00 -0.52 0.00 0.00 52.55 50.06 3cxh s ASP 73 Cb -0.00 -0.81 0.74 0.00 -1.46 0.00 0.00 42.92 41.39 3cxh s ASP 73 CO -0.06 -0.34 1.86 0.74 0.52 0.00 0.00 175.17 177.89 3cxh h THR 74 N 5.72 0.86 0.00 1.71 2.02 -1.97 0.32 112.91 121.57 3cxh h THR 74 Ca -0.05 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 3cxh h THR 74 Cb 0.97 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3cxh h THR 74 CO 0.43 0.14 -0.07 0.28 0.37 0.00 0.00 175.52 176.67 3cxh h SER 75 N 0.78 0.00 -0.01 4.18 0.02 -1.96 -2.76 113.55 113.80 3cxh h SER 75 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 3cxh h SER 75 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 3cxh h SER 75 CO -0.22 0.07 -0.17 0.29 -1.14 0.00 0.00 176.83 175.66 3cxh n LYS 76 N -3.28 2.16 -3.43 3.45 5.02 -0.50 -5.04 118.16 116.53 3cxh n LYS 76 Ca -0.01 -0.55 -0.17 0.00 -2.02 0.00 0.00 58.31 55.56 3cxh n LYS 76 Cb 0.28 -1.03 0.02 0.00 -0.02 0.00 0.00 35.03 34.28 3cxh n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3cxh n ASN 77 N -0.28 -6.26 -3.60 4.39 2.85 0.10 -4.84 115.26 107.62 3cxh n ASN 77 Ca 0.03 -0.65 -0.14 0.00 -0.11 0.00 0.00 54.58 53.72 3cxh n ASN 77 Cb 0.18 -3.96 -0.07 0.00 1.24 0.00 0.00 39.78 37.17 3cxh n ASN 77 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3cxh s GLN 78 N -4.56 0.81 0.20 1.20 -2.07 -1.12 -2.41 119.66 111.72 3cxh s GLN 78 Ca 0.22 0.66 0.09 0.00 -1.82 0.00 0.00 55.36 54.51 3cxh s GLN 78 Cb -0.07 0.39 -0.04 0.00 -1.09 0.00 0.00 33.01 32.20 3cxh s GLN 78 CO 0.81 -0.16 -0.05 -0.59 -1.32 0.00 0.00 175.29 173.99 3cxh s PHE 79 N -0.18 2.70 0.36 9.60 -0.12 -0.82 -0.36 117.98 129.17 3cxh s PHE 79 Ca -0.02 -0.20 0.06 0.00 -0.05 0.00 0.00 56.93 56.72 3cxh s PHE 79 Cb -0.03 -1.28 -0.07 0.00 -0.63 0.00 0.00 43.02 41.01 3cxh s PHE 79 CO 0.02 0.55 0.00 -0.06 -0.05 0.00 0.00 175.22 175.68 3cxh s PHE 80 N -1.90 2.29 0.00 3.49 0.40 0.58 -0.95 117.98 121.90 3cxh s PHE 80 Ca 0.27 -0.73 0.03 0.00 -0.60 0.00 0.00 56.93 55.91 3cxh s PHE 80 Cb -0.08 -1.52 -0.01 0.00 0.51 0.00 0.00 43.02 41.92 3cxh s PHE 80 CO 0.17 0.33 -0.11 -1.17 0.70 0.00 0.00 175.22 175.15 3cxh s LEU 81 N -3.61 2.05 -0.21 -0.37 2.96 -0.35 -2.82 118.68 116.33 3cxh s LEU 81 Ca 0.34 -0.24 -0.04 0.00 -0.22 0.00 0.00 54.13 53.98 3cxh s LEU 81 Cb 0.08 -0.52 0.09 0.00 0.50 0.00 0.00 46.19 46.34 3cxh s LEU 81 CO 0.16 0.10 0.21 -0.75 -1.32 0.00 0.00 176.35 174.75 3cxh s LYS 82 N -0.42 0.18 -0.40 1.98 2.20 -1.19 -1.83 119.74 120.26 3cxh s LYS 82 Ca 0.03 0.12 -0.07 0.00 -0.36 0.00 0.00 55.97 55.69 3cxh s LYS 82 Cb -0.05 -1.25 0.08 0.00 -1.51 0.00 0.00 37.83 35.10 3cxh s LYS 82 CO -0.00 -0.69 0.22 -1.17 -0.36 0.00 0.00 175.35 173.35 3cxh s LEU 83 N 2.30 5.04 0.63 5.43 2.96 -0.68 -1.57 118.68 132.79 3cxh s LEU 83 Ca 0.07 -1.59 -0.15 0.00 -0.22 0.00 0.00 54.13 52.23 3cxh s LEU 83 Cb -0.16 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 3cxh s LEU 83 CO -0.14 -0.51 1.08 0.20 -1.32 0.00 0.00 176.35 175.66 3cxh s ASN 84 N 1.97 5.46 -0.77 3.68 0.01 -1.05 -0.92 114.94 123.33 3cxh s ASN 84 Ca 0.03 1.90 -0.06 0.00 -0.71 0.00 0.00 52.86 54.02 3cxh s ASN 84 Cb -0.23 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 38.90 3cxh s ASN 84 CO 0.00 -1.39 0.61 -1.54 -1.51 0.00 0.00 177.10 173.27 3cxh n SER 85 N -2.23 -4.85 -4.80 -1.22 3.41 -1.04 -4.91 113.62 97.98 3cxh n SER 85 Ca 0.09 -0.86 -0.33 0.00 -0.26 0.00 0.00 58.87 57.51 3cxh n SER 85 Cb 0.52 -1.58 -0.00 0.00 -0.26 0.00 0.00 64.21 62.89 3cxh n SER 85 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3cxh s VAL 86 N -2.75 3.78 0.29 -3.33 -7.23 -0.86 -4.67 120.40 105.61 3cxh s VAL 86 Ca 0.06 0.92 0.07 0.00 -1.81 0.00 0.00 61.98 61.21 3cxh s VAL 86 Cb -0.01 -3.40 -0.06 0.00 0.56 0.00 0.00 36.38 33.48 3cxh s VAL 86 CO 0.89 -0.42 -0.05 -0.89 -0.31 0.00 0.00 175.10 174.32 3cxh s THR 87 N -2.30 1.65 -0.23 5.32 2.01 -1.26 -1.19 115.64 119.65 3cxh s THR 87 Ca 0.65 -2.12 0.23 0.00 0.31 0.00 0.00 61.69 60.76 3cxh s THR 87 Cb -0.16 -2.49 0.23 0.00 0.01 0.00 0.00 72.50 70.09 3cxh s THR 87 CO 0.32 -0.27 1.70 0.35 -0.69 0.00 0.00 174.62 176.03 3cxh n THR 88 N -0.61 0.96 0.18 -0.82 -2.24 -1.26 -0.56 114.28 109.93 3cxh n THR 88 Ca -0.05 0.64 0.04 0.00 -2.27 0.00 0.00 64.05 62.41 3cxh n THR 88 Cb 0.64 -1.62 0.30 0.00 -2.10 0.00 0.00 70.33 67.54 3cxh n THR 88 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3cxh h GLU 89 N 0.00 0.00 0.00 -0.78 5.08 -1.96 -2.90 114.58 114.01 3cxh h GLU 89 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3cxh h GLU 89 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3cxh h GLU 89 CO 0.00 0.42 0.00 -0.25 -1.00 0.00 0.00 179.01 178.18 3cxh n ASP 90 N -3.58 0.00 -4.65 1.42 10.43 0.27 -4.79 116.55 115.65 3cxh n ASP 90 Ca -0.00 -0.55 -0.43 0.00 2.57 0.00 0.00 54.79 56.38 3cxh n ASP 90 Cb 0.53 -0.07 -0.02 0.00 1.84 0.00 0.00 41.12 43.40 3cxh n ASP 90 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3cxh s THR 91 N -2.14 3.81 0.03 -3.53 2.01 -1.10 -4.89 115.64 109.83 3cxh s THR 91 Ca 0.31 0.97 -0.28 0.00 0.31 0.00 0.00 61.69 63.00 3cxh s THR 91 Cb 0.16 -3.67 0.10 0.00 0.01 0.00 0.00 72.50 69.10 3cxh s THR 91 CO 0.28 -0.14 1.22 0.00 -0.69 0.00 0.00 174.62 175.30 3cxh s ALA 92 N 4.13 -2.16 -0.33 7.40 0.00 -1.11 -4.21 121.76 125.47 3cxh s ALA 92 Ca 0.67 0.35 -0.15 0.00 0.00 0.00 0.00 51.96 52.84 3cxh s ALA 92 Cb -0.28 0.57 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 3cxh s ALA 92 CO 0.25 -1.08 0.34 0.95 0.00 0.00 0.00 175.76 176.22 3cxh s THR 93 N -2.39 5.19 -0.02 0.00 -4.23 -0.71 -1.25 115.64 112.24 3cxh s THR 93 Ca 0.19 0.06 -0.20 0.00 -1.18 0.00 0.00 61.69 60.55 3cxh s THR 93 Cb 0.02 -3.78 -0.05 0.00 1.34 0.00 0.00 72.50 70.03 3cxh s THR 93 CO -0.01 -0.04 0.59 -0.31 -0.54 0.00 0.00 174.62 174.30 3cxh s TYR 94 N 1.97 3.66 -0.06 3.99 1.51 0.14 -0.76 117.35 127.80 3cxh s TYR 94 Ca 0.11 1.17 0.04 0.00 -1.01 0.00 0.00 57.07 57.39 3cxh s TYR 94 Cb -0.17 -2.60 -0.00 0.00 -0.11 0.00 0.00 41.96 39.08 3cxh s TYR 94 CO 0.11 0.33 -0.19 0.71 -1.11 0.00 0.00 175.55 175.40 3cxh s TYR 95 N -0.10 1.98 0.04 2.71 2.02 0.17 -0.57 117.35 123.60 3cxh s TYR 95 Ca 0.31 -0.63 -0.04 0.00 -0.37 0.00 0.00 57.07 56.33 3cxh s TYR 95 Cb -0.18 -1.33 -0.05 0.00 -0.40 0.00 0.00 41.96 40.00 3cxh s TYR 95 CO 0.17 -0.23 0.27 0.00 -1.57 0.00 0.00 175.55 174.18 3cxh s ALA 97 N -1.41 -1.36 0.01 0.00 0.00 -0.72 -0.39 121.76 117.89 3cxh s ALA 97 Ca 0.32 1.29 -0.19 0.00 0.00 0.00 0.00 51.96 53.37 3cxh s ALA 97 Cb -0.13 -0.53 -0.06 0.00 0.00 0.00 0.00 23.12 22.40 3cxh s ALA 97 CO 0.20 -0.29 0.56 0.50 0.00 0.00 0.00 175.76 176.74 3cxh s ARG 98 N -0.33 4.24 -0.16 0.00 3.52 -0.45 -0.08 118.95 125.69 3cxh s ARG 98 Ca -0.05 0.68 0.01 0.00 -0.13 0.00 0.00 55.73 56.24 3cxh s ARG 98 Cb -0.03 -3.30 0.02 0.00 -1.56 0.00 0.00 34.95 30.07 3cxh s ARG 98 CO 0.03 0.47 -0.18 -1.54 -0.81 0.00 0.00 175.30 173.27 3cxh s SER 99 N -0.51 2.93 0.32 -2.12 1.04 0.11 -2.35 113.70 113.13 3cxh s SER 99 Ca 0.29 -0.57 -0.06 0.00 0.48 0.00 0.00 55.95 56.09 3cxh s SER 99 Cb -0.18 -1.35 -0.05 0.00 0.10 0.00 0.00 66.02 64.54 3cxh s SER 99 CO 0.17 -0.00 0.61 -1.83 0.98 0.00 0.00 173.24 173.17 3cxh s GLU 100 N 1.25 3.67 -0.07 4.02 -1.05 -0.42 -1.84 118.70 124.26 3cxh s GLU 100 Ca 0.02 0.12 0.01 0.00 -0.15 0.00 0.00 54.97 54.98 3cxh s GLU 100 Cb -0.13 -2.57 0.02 0.00 -0.44 0.00 0.00 34.13 31.00 3cxh s GLU 100 CO -0.10 0.14 -0.10 -0.47 0.95 0.00 0.00 175.26 175.69 3cxh s TYR 101 N -2.18 1.33 -0.05 4.83 6.14 -1.26 -2.33 117.35 123.83 3cxh s TYR 101 Ca 0.46 -0.52 0.04 0.00 0.64 0.00 0.00 57.07 57.69 3cxh s TYR 101 Cb -0.11 -1.03 0.00 0.00 0.42 0.00 0.00 41.96 41.25 3cxh s TYR 101 CO 0.31 -0.31 -0.16 0.71 0.64 0.00 0.00 175.55 176.74 3cxh s TYR 102 N 0.94 1.66 0.44 4.97 2.02 -0.73 -5.01 117.35 121.63 3cxh s TYR 102 Ca -0.10 -0.54 0.29 0.00 -0.37 0.00 0.00 57.07 56.35 3cxh s TYR 102 Cb -0.15 -1.15 1.56 0.00 -0.40 0.00 0.00 41.96 41.83 3cxh s TYR 102 CO 0.01 -0.22 1.86 0.66 -1.57 0.00 0.00 175.55 176.29 3cxh h SER 103 N 6.51 0.00 0.00 2.29 4.64 -2.00 0.15 113.55 125.14 3cxh h SER 103 Ca -0.31 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.72 3cxh h SER 103 Cb 1.18 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.22 3cxh h SER 103 CO 0.48 0.00 -2.12 0.52 -0.87 0.00 0.00 176.83 174.84 3cxh n VAL 104 N -2.69 1.13 1.04 0.95 0.31 -1.26 -4.62 118.33 113.19 3cxh n VAL 104 Ca -0.02 -0.45 0.12 0.00 -0.01 0.00 0.00 64.34 63.98 3cxh n VAL 104 Cb 0.26 -1.16 0.17 0.00 -0.91 0.00 0.00 33.84 32.21 3cxh n VAL 104 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3cxh n THR 105 N -3.04 0.00 -4.07 2.52 -2.24 -1.13 -5.06 114.28 101.25 3cxh n THR 105 Ca -0.34 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3cxh n THR 105 Cb 0.88 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 3cxh n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cxh n GLY 106 N 1.47 0.53 3.94 3.38 0.00 0.52 -4.87 105.19 110.16 3cxh n GLY 106 Ca 0.06 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 3cxh n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cxh s TYR 107 N 0.00 3.49 -0.29 1.61 1.51 -1.26 -1.78 117.35 120.63 3cxh s TYR 107 Ca 0.00 0.18 -0.14 0.00 -1.01 0.00 0.00 57.07 56.10 3cxh s TYR 107 Cb 0.00 -1.72 0.12 0.00 -0.11 0.00 0.00 41.96 40.26 3cxh s TYR 107 CO 0.00 0.51 0.78 0.00 -1.11 0.00 0.00 175.55 175.73 3cxh s ALA 108 N -1.71 -2.14 -0.58 3.71 0.00 -0.98 -4.99 121.76 115.07 3cxh s ALA 108 Ca 0.35 2.30 -0.23 0.00 0.00 0.00 0.00 51.96 54.39 3cxh s ALA 108 Cb -0.11 -1.69 0.05 0.00 0.00 0.00 0.00 23.12 21.37 3cxh s ALA 108 CO 0.28 -0.64 0.89 -1.64 0.00 0.00 0.00 175.76 174.66 3cxh s MET 109 N 2.10 3.22 -0.00 0.00 -1.94 -1.26 -1.29 119.30 120.12 3cxh s MET 109 Ca -0.07 -0.57 0.19 0.00 -1.71 0.00 0.00 55.69 53.53 3cxh s MET 109 Cb -0.07 -4.12 -0.21 0.00 2.01 0.00 0.00 34.83 32.44 3cxh s MET 109 CO -0.18 -1.54 0.58 -0.40 -0.01 0.00 0.00 175.02 173.47 3cxh n ASP 110 N 7.29 0.41 -3.98 3.03 5.75 -0.99 -4.86 116.55 123.19 3cxh n ASP 110 Ca -0.02 0.17 -0.31 0.00 -0.01 0.00 0.00 54.79 54.63 3cxh n ASP 110 Cb 0.46 0.95 -0.15 0.00 -1.03 0.00 0.00 41.12 41.35 3cxh n ASP 110 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3cxh s TYR 111 N -3.08 2.93 -0.05 2.11 1.51 -1.24 -5.01 117.35 114.53 3cxh s TYR 111 Ca -0.06 -2.23 -0.04 0.00 -1.01 0.00 0.00 57.07 53.74 3cxh s TYR 111 Cb 0.10 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.89 3cxh s TYR 111 CO 0.84 -0.86 0.14 -1.58 -1.11 0.00 0.00 175.55 172.98 3cxh s TRP 112 N 1.21 3.49 0.71 2.71 0.52 -1.26 -1.34 118.94 124.97 3cxh s TRP 112 Ca -0.01 0.38 -0.11 0.00 0.02 0.00 0.00 56.10 56.37 3cxh s TRP 112 Cb -0.19 -1.85 0.02 0.00 -1.15 0.00 0.00 33.47 30.30 3cxh s TRP 112 CO -0.08 0.65 1.10 0.20 0.02 0.00 0.00 176.95 178.84 3cxh s GLY 113 N -1.50 1.62 0.38 0.98 0.00 0.47 -4.68 107.32 104.60 3cxh s GLY 113 Ca 0.21 -0.38 0.14 0.00 0.00 0.00 0.00 44.72 44.69 3cxh s GLY 113 CO 0.11 -0.01 1.82 0.06 0.00 0.00 0.00 173.10 175.08 3cxh h GLN 114 N -0.67 0.50 0.00 2.90 3.07 -1.89 -3.44 115.11 115.58 3cxh h GLN 114 Ca -0.45 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.26 3cxh h GLN 114 Cb 1.26 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 28.71 3cxh h GLN 114 CO 0.64 0.33 0.00 0.41 0.09 0.00 0.00 178.83 180.30 3cxh n GLY 115 N -1.45 1.96 2.98 0.06 0.00 -1.26 -5.06 105.19 102.42 3cxh n GLY 115 Ca 0.22 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 3cxh n GLY 115 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3cxh s THR 116 N -0.82 1.35 -0.37 2.61 -1.32 0.27 -4.95 115.64 112.41 3cxh s THR 116 Ca 0.00 -0.50 -0.28 0.00 -1.21 0.00 0.00 61.69 59.70 3cxh s THR 116 Cb 0.00 -1.30 0.02 0.00 -1.51 0.00 0.00 72.50 69.71 3cxh s THR 116 CO 0.00 0.42 1.07 -0.89 -2.21 0.00 0.00 174.62 173.01 3cxh s THR 117 N 1.55 4.44 -0.03 5.08 2.01 -1.26 0.24 115.64 127.66 3cxh s THR 117 Ca 0.04 1.51 0.01 0.00 0.31 0.00 0.00 61.69 63.57 3cxh s THR 117 Cb -0.13 -4.46 -0.03 0.00 0.01 0.00 0.00 72.50 67.89 3cxh s THR 117 CO -0.09 -0.63 -0.05 0.68 -0.69 0.00 0.00 174.62 173.84 3cxh s VAL 118 N 3.84 3.84 -0.07 3.82 -7.23 -0.38 -4.55 120.40 119.68 3cxh s VAL 118 Ca 0.45 -0.57 -0.00 0.00 -1.81 0.00 0.00 61.98 60.04 3cxh s VAL 118 Cb -0.11 -2.64 0.03 0.00 0.56 0.00 0.00 36.38 34.22 3cxh s VAL 118 CO 0.20 0.49 -0.02 -0.89 -0.31 0.00 0.00 175.10 174.57 3cxh s THR 119 N -0.93 0.50 -0.38 5.32 2.01 -1.11 -2.74 115.64 118.32 3cxh s THR 119 Ca 0.15 -0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.86 3cxh s THR 119 Cb -0.11 -0.60 0.02 0.00 0.01 0.00 0.00 72.50 71.82 3cxh s THR 119 CO 0.05 0.26 1.13 -0.69 -0.69 0.00 0.00 174.62 174.69 3cxh s VAL 120 N 1.59 4.34 -0.06 3.82 1.01 -1.26 -2.08 120.40 127.77 3cxh s VAL 120 Ca -0.00 1.48 -0.18 0.00 0.00 0.00 0.00 61.98 63.27 3cxh s VAL 120 Cb -0.13 -4.45 0.04 0.00 0.00 0.00 0.00 36.38 31.83 3cxh s VAL 120 CO -0.04 -0.69 0.42 -0.55 0.00 0.00 0.00 175.10 174.24 3cxh s SER 121 N 2.14 -0.35 0.00 3.32 0.15 -0.89 -4.82 113.70 113.25 3cxh s SER 121 Ca 0.48 0.42 0.29 0.00 0.70 0.00 0.00 55.95 57.84 3cxh s SER 121 Cb -0.11 0.51 1.53 0.00 -1.71 0.00 0.00 66.02 66.24 3cxh s SER 121 CO 0.23 -0.40 2.01 -0.24 1.20 0.00 0.00 173.24 176.03 3cxh n SER 122 N 1.61 0.54 -4.76 5.45 2.88 -1.26 -3.71 113.62 114.37 3cxh n SER 122 Ca -0.19 -1.22 -0.38 0.00 -1.33 0.00 0.00 58.87 55.75 3cxh n SER 122 Cb 0.56 -0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.04 3cxh n SER 122 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cxh s ALA 123 N -1.99 2.84 -0.02 -1.46 0.00 -1.26 -5.01 121.76 114.86 3cxh s ALA 123 Ca 0.43 1.14 -0.15 0.00 0.00 0.00 0.00 51.96 53.38 3cxh s ALA 123 Cb 0.21 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 3cxh s ALA 123 CO 0.34 -1.08 0.41 -0.46 0.00 0.00 0.00 175.76 174.97 3cxh s TRP 124 N -1.43 3.69 -0.01 0.00 -0.00 -1.26 -4.92 118.94 115.01 3cxh s TRP 124 Ca 0.69 0.96 0.02 0.00 -0.00 0.00 0.00 56.10 57.78 3cxh s TRP 124 Cb -0.35 -2.32 -0.01 0.00 -0.00 0.00 0.00 33.47 30.80 3cxh s TRP 124 CO 0.41 0.57 -0.07 0.50 -0.00 0.00 0.00 176.95 178.36 3cxh s ARG 125 N -0.80 0.59 -0.13 5.86 3.52 -1.26 -5.11 118.95 121.62 3cxh s ARG 125 Ca 0.24 -0.26 -0.29 0.00 -0.13 0.00 0.00 55.73 55.28 3cxh s ARG 125 Cb -0.16 -0.57 -0.05 0.00 -1.56 0.00 0.00 34.95 32.60 3cxh s ARG 125 CO 0.12 0.16 1.87 -1.58 -0.81 0.00 0.00 175.30 175.06 3cxh s HIS 126 N -0.17 1.62 -2.00 5.12 5.65 -1.26 -5.24 115.29 119.01 3cxh s HIS 126 Ca 0.03 0.21 0.11 0.00 0.25 0.00 0.00 55.06 55.66 3cxh s HIS 126 Cb -0.03 -4.04 0.67 0.00 -1.18 0.00 0.00 32.58 28.00 3cxh s HIS 126 CO -0.00 -4.09 1.10 -0.35 -0.65 0.00 0.00 174.74 170.75