#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cx5 s VAL 2 N 0.00 5.07 -0.03 3.84 1.01 -1.26 -4.00 120.40 125.03 3cx5 s VAL 2 Ca 0.00 1.20 0.01 0.00 0.00 0.00 0.00 61.98 63.20 3cx5 s VAL 2 Cb 0.00 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.45 3cx5 s VAL 2 CO 0.00 0.21 -0.05 -0.54 0.00 0.00 0.00 175.10 174.72 3cx5 s LYS 3 N 1.24 0.66 -0.30 2.72 -0.14 -0.56 -5.00 119.74 118.35 3cx5 s LYS 3 Ca 0.31 -0.14 -0.01 0.00 -1.36 0.00 0.00 55.97 54.76 3cx5 s LYS 3 Cb -0.16 -0.67 0.05 0.00 -1.68 0.00 0.00 37.83 35.37 3cx5 s LYS 3 CO 0.13 0.00 -0.00 -0.51 -0.76 0.00 0.00 175.35 174.21 3cx5 s LEU 4 N 0.49 3.90 -0.28 3.17 1.02 -1.26 -1.22 118.68 124.51 3cx5 s LEU 4 Ca -0.06 -1.30 -0.08 0.00 0.02 0.00 0.00 54.13 52.71 3cx5 s LEU 4 Cb -0.10 -1.70 -0.01 0.00 0.02 0.00 0.00 46.19 44.40 3cx5 s LEU 4 CO -0.00 -0.26 0.09 -1.10 0.02 0.00 0.00 176.35 175.10 3cx5 s GLN 5 N 1.24 3.38 0.22 1.70 -1.52 0.03 -3.99 119.66 120.73 3cx5 s GLN 5 Ca -0.05 -0.66 -0.09 0.00 -1.95 0.00 0.00 55.36 52.61 3cx5 s GLN 5 Cb -0.20 -3.39 -0.07 0.00 -0.22 0.00 0.00 33.01 29.14 3cx5 s GLN 5 CO -0.01 -0.33 0.53 -1.21 -0.25 0.00 0.00 175.29 174.02 3cx5 s GLU 6 N 1.57 3.77 0.20 2.91 2.02 -1.26 0.08 118.70 128.00 3cx5 s GLU 6 Ca 0.05 0.22 -0.17 0.00 0.02 0.00 0.00 54.97 55.09 3cx5 s GLU 6 Cb -0.16 -2.67 0.03 0.00 0.10 0.00 0.00 34.13 31.43 3cx5 s GLU 6 CO 0.04 0.33 0.53 -1.54 0.02 0.00 0.00 175.26 174.63 3cx5 s SER 7 N -2.40 -0.25 0.00 -0.19 1.04 -0.55 -4.98 113.70 106.37 3cx5 s SER 7 Ca 0.47 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.38 3cx5 s SER 7 Cb -0.11 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3cx5 s SER 7 CO 0.22 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.98 3cx5 n GLY 8 N -0.35 3.81 3.69 7.32 0.00 -1.26 -1.52 105.19 116.88 3cx5 n GLY 8 Ca -0.09 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 3cx5 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cx5 n ALA 9 N -1.41 2.14 -0.59 4.61 0.00 -1.26 -4.91 120.51 119.10 3cx5 n ALA 9 Ca 0.00 0.34 0.02 0.00 0.00 0.00 0.00 53.44 53.81 3cx5 n ALA 9 Cb 0.00 -2.55 0.31 0.00 0.00 0.00 0.00 19.45 17.21 3cx5 n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cx5 n GLY 10 N 4.10 2.90 2.93 0.00 0.00 -1.26 -4.79 105.19 109.06 3cx5 n GLY 10 Ca 0.18 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 3cx5 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cx5 s LEU 11 N -2.32 -0.35 -0.02 0.99 2.96 -1.26 -1.08 118.68 117.61 3cx5 s LEU 11 Ca 0.45 0.29 0.04 0.00 -0.22 0.00 0.00 54.13 54.69 3cx5 s LEU 11 Cb 0.35 0.76 -0.01 0.00 0.50 0.00 0.00 46.19 47.79 3cx5 s LEU 11 CO 0.12 -0.28 -0.14 0.68 -1.32 0.00 0.00 176.35 175.42 3cx5 s VAL 12 N 2.44 1.09 0.43 1.68 -7.23 -0.80 -4.96 120.40 113.05 3cx5 s VAL 12 Ca 0.05 -0.57 -0.24 0.00 -1.81 0.00 0.00 61.98 59.41 3cx5 s VAL 12 Cb -0.14 -0.92 -0.08 0.00 0.56 0.00 0.00 36.38 35.80 3cx5 s VAL 12 CO -0.12 0.31 1.16 -1.10 -0.31 0.00 0.00 175.10 175.04 3cx5 s GLN 13 N -0.19 3.90 0.59 4.82 -0.21 -1.23 -1.49 119.66 125.86 3cx5 s GLN 13 Ca 0.03 1.77 -0.20 0.00 0.02 0.00 0.00 55.36 56.98 3cx5 s GLN 13 Cb -0.07 -2.51 -0.04 0.00 1.00 0.00 0.00 33.01 31.39 3cx5 s GLN 13 CO -0.00 -0.43 1.18 -0.35 -2.12 0.00 0.00 175.29 173.57 3cx5 n PRO 14 N -0.25 1.21 0.00 2.91 -0.04 -1.26 -1.94 135.00 135.63 3cx5 n PRO 14 Ca 0.06 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 3cx5 n PRO 14 Cb 0.48 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 3cx5 n PRO 14 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3cx5 n SER 15 N -1.12 0.00 -4.58 3.54 2.88 0.29 -4.89 113.62 109.73 3cx5 n SER 15 Ca 0.13 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.43 3cx5 n SER 15 Cb 0.46 -0.06 0.12 0.00 -0.75 0.00 0.00 64.21 63.99 3cx5 n SER 15 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3cx5 s GLN 16 N 0.00 1.47 -0.16 -1.46 -1.52 -0.82 -3.96 119.66 113.21 3cx5 s GLN 16 Ca 0.00 -1.09 -0.10 0.00 -1.95 0.00 0.00 55.36 52.22 3cx5 s GLN 16 Cb 0.00 -2.27 -0.05 0.00 -0.22 0.00 0.00 33.01 30.47 3cx5 s GLN 16 CO 0.00 -1.62 0.18 -1.12 -0.25 0.00 0.00 175.29 172.47 3cx5 s SER 17 N -4.79 6.33 -0.08 5.90 0.01 -1.26 -1.25 113.70 118.56 3cx5 s SER 17 Ca 0.68 0.38 -0.20 0.00 1.31 0.00 0.00 55.95 58.11 3cx5 s SER 17 Cb -0.05 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 3cx5 s SER 17 CO 0.46 0.23 0.57 -0.22 0.41 0.00 0.00 173.24 174.69 3cx5 s LEU 18 N -0.04 4.32 -0.10 2.44 2.96 -0.13 -4.94 118.68 123.19 3cx5 s LEU 18 Ca 0.12 1.01 -0.01 0.00 -0.22 0.00 0.00 54.13 55.03 3cx5 s LEU 18 Cb -0.12 -2.87 0.03 0.00 0.50 0.00 0.00 46.19 43.73 3cx5 s LEU 18 CO 0.01 -0.02 -0.06 -0.44 -1.32 0.00 0.00 176.35 174.53 3cx5 s SER 19 N 0.52 2.05 0.07 3.68 0.01 -1.26 -1.50 113.70 117.28 3cx5 s SER 19 Ca 0.31 -0.25 0.06 0.00 1.31 0.00 0.00 55.95 57.38 3cx5 s SER 19 Cb -0.17 -0.75 -0.03 0.00 0.21 0.00 0.00 66.02 65.28 3cx5 s SER 19 CO 0.14 -0.14 -0.17 -0.76 0.41 0.00 0.00 173.24 172.73 3cx5 s LEU 20 N 1.77 2.26 -0.02 2.44 1.43 -0.44 -4.07 118.68 122.04 3cx5 s LEU 20 Ca 0.05 -0.60 0.04 0.00 -1.03 0.00 0.00 54.13 52.59 3cx5 s LEU 20 Cb -0.12 -0.67 -0.01 0.00 0.03 0.00 0.00 46.19 45.42 3cx5 s LEU 20 CO -0.08 -0.00 -0.14 0.42 0.23 0.00 0.00 176.35 176.78 3cx5 s THR 21 N -1.13 1.16 -0.29 5.49 -4.23 -0.58 -0.87 115.64 115.20 3cx5 s THR 21 Ca 0.02 -0.60 -0.01 0.00 -1.18 0.00 0.00 61.69 59.92 3cx5 s THR 21 Cb -0.10 -0.99 0.05 0.00 1.34 0.00 0.00 72.50 72.80 3cx5 s THR 21 CO 0.03 0.34 -0.02 0.00 -0.54 0.00 0.00 174.62 174.42 3cx5 s SER 23 N 1.25 6.29 -0.13 0.00 0.01 0.11 -2.11 113.70 119.12 3cx5 s SER 23 Ca -0.05 -0.39 -0.11 0.00 1.31 0.00 0.00 55.95 56.71 3cx5 s SER 23 Cb -0.19 -2.29 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 3cx5 s SER 23 CO -0.02 -0.71 0.22 -0.69 0.41 0.00 0.00 173.24 172.45 3cx5 s VAL 24 N 2.63 5.36 0.08 3.43 1.01 -0.94 -0.79 120.40 131.18 3cx5 s VAL 24 Ca 0.20 0.40 0.05 0.00 0.00 0.00 0.00 61.98 62.63 3cx5 s VAL 24 Cb -0.15 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 3cx5 s VAL 24 CO 0.17 0.50 -0.14 0.42 0.00 0.00 0.00 175.10 176.05 3cx5 s THR 25 N -0.26 1.18 0.00 3.92 -4.23 -0.35 -4.78 115.64 111.12 3cx5 s THR 25 Ca 0.15 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 3cx5 s THR 25 Cb -0.13 -1.19 0.00 0.00 1.34 0.00 0.00 72.50 72.52 3cx5 s THR 25 CO 0.04 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 3cx5 n GLY 26 N 1.11 0.73 3.64 3.99 0.00 -1.26 -1.50 105.19 111.90 3cx5 n GLY 26 Ca -0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 3cx5 n GLY 26 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cx5 s TYR 27 N -2.68 -0.48 0.08 1.61 5.04 -1.26 -4.50 117.35 115.16 3cx5 s TYR 27 Ca 0.00 1.01 -0.29 0.00 -2.44 0.00 0.00 57.07 55.34 3cx5 s TYR 27 Cb 0.00 0.34 -0.05 0.00 0.35 0.00 0.00 41.96 42.60 3cx5 s TYR 27 CO 0.00 -0.23 0.94 -1.12 -1.34 0.00 0.00 175.55 173.80 3cx5 s SER 28 N 0.94 7.44 0.27 4.32 0.01 -1.26 -4.95 113.70 120.47 3cx5 s SER 28 Ca -0.05 1.72 0.00 0.00 1.31 0.00 0.00 55.95 58.94 3cx5 s SER 28 Cb -0.04 -2.57 0.37 0.00 0.21 0.00 0.00 66.02 63.99 3cx5 s SER 28 CO -0.12 -0.10 1.72 0.40 0.41 0.00 0.00 173.24 175.55 3cx5 h ILE 29 N 4.22 1.26 -0.01 1.44 1.08 -1.95 -3.12 117.51 120.43 3cx5 h ILE 29 Ca -0.43 -1.18 -0.20 0.00 -0.39 0.00 0.00 64.86 62.66 3cx5 h ILE 29 Cb 1.21 1.19 0.02 0.00 -3.07 0.00 0.00 36.82 36.17 3cx5 h ILE 29 CO 0.72 0.39 -0.77 0.00 -0.69 0.00 0.00 178.15 177.80 3cx5 h THR 30 N 0.54 1.36 -2.54 -0.27 1.03 -1.93 -3.36 112.91 107.75 3cx5 h THR 30 Ca 0.09 -2.12 -0.80 0.00 -0.01 0.00 0.00 66.41 63.57 3cx5 h THR 30 Cb 0.61 2.46 -0.26 0.00 -1.07 0.00 0.00 68.15 69.89 3cx5 h THR 30 CO 0.04 0.64 1.02 -1.20 -0.01 0.00 0.00 175.52 176.01 3cx5 n SER 31 N -4.07 6.67 0.00 0.00 7.64 -1.18 -4.55 113.62 118.13 3cx5 n SER 31 Ca -0.10 -3.46 0.00 0.00 1.01 0.00 0.00 58.87 56.31 3cx5 n SER 31 Cb 0.75 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 3cx5 n SER 31 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cx5 n GLY 32 N 1.05 2.66 0.00 0.23 0.00 -1.23 -4.53 105.19 103.37 3cx5 n GLY 32 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3cx5 n GLY 32 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cx5 n TYR 33 N 0.00 0.00 -4.95 1.61 4.01 -1.26 -4.63 117.16 111.94 3cx5 n TYR 33 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.42 3cx5 n TYR 33 Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 38.88 3cx5 n TYR 33 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3cx5 s TYR 34 N 3.99 2.67 -0.36 -0.72 2.02 -1.15 -1.21 117.35 122.60 3cx5 s TYR 34 Ca 0.00 -0.51 -0.02 0.00 -0.37 0.00 0.00 57.07 56.17 3cx5 s TYR 34 Cb 0.00 -1.70 0.08 0.00 -0.40 0.00 0.00 41.96 39.94 3cx5 s TYR 34 CO 0.00 -0.08 0.11 -1.58 -1.57 0.00 0.00 175.55 172.43 3cx5 s TRP 35 N -0.15 3.44 0.48 2.71 0.52 -0.83 -0.41 118.94 124.70 3cx5 s TRP 35 Ca -0.02 -2.14 0.07 0.00 0.02 0.00 0.00 56.10 54.03 3cx5 s TRP 35 Cb -0.14 -2.68 0.03 0.00 -1.15 0.00 0.00 33.47 29.53 3cx5 s TRP 35 CO 0.04 -0.88 0.66 -0.80 0.02 0.00 0.00 176.95 175.99 3cx5 s ASN 36 N 1.52 5.43 -0.02 2.95 0.01 0.14 -1.83 114.94 123.14 3cx5 s ASN 36 Ca 0.02 -0.43 -0.00 0.00 -0.71 0.00 0.00 52.86 51.74 3cx5 s ASN 36 Cb -0.21 -0.48 0.03 0.00 0.41 0.00 0.00 41.25 40.99 3cx5 s ASN 36 CO -0.03 -0.98 0.03 0.26 -1.51 0.00 0.00 177.10 174.87 3cx5 s TRP 37 N -2.51 0.02 0.12 2.20 0.52 -0.27 -0.90 118.94 118.12 3cx5 s TRP 37 Ca 0.57 0.12 0.01 0.00 0.02 0.00 0.00 56.10 56.82 3cx5 s TRP 37 Cb -0.09 -0.21 -0.04 0.00 -1.15 0.00 0.00 33.47 31.98 3cx5 s TRP 37 CO 0.36 -0.08 -0.02 0.96 0.02 0.00 0.00 176.95 178.19 3cx5 s ILE 38 N 0.94 0.49 0.00 2.03 -4.36 0.79 -1.27 121.20 119.83 3cx5 s ILE 38 Ca -0.08 -1.92 0.04 0.00 -0.26 0.00 0.00 60.65 58.43 3cx5 s ILE 38 Cb -0.11 -1.85 -0.01 0.00 1.25 0.00 0.00 42.46 41.74 3cx5 s ILE 38 CO -0.03 -0.71 -0.13 0.00 0.24 0.00 0.00 174.94 174.32 3cx5 s ARG 39 N -3.91 1.00 -0.31 0.37 1.70 -0.39 -0.26 118.95 117.15 3cx5 s ARG 39 Ca 0.17 -0.53 -0.01 0.00 -0.47 0.00 0.00 55.73 54.88 3cx5 s ARG 39 Cb 0.06 -0.98 0.06 0.00 -0.57 0.00 0.00 34.95 33.52 3cx5 s ARG 39 CO -0.02 0.26 0.01 -1.17 -1.08 0.00 0.00 175.30 173.30 3cx5 s LEU 40 N -0.52 4.01 0.65 -1.89 2.96 -0.38 -1.48 118.68 122.03 3cx5 s LEU 40 Ca 0.04 -1.39 -0.12 0.00 -0.22 0.00 0.00 54.13 52.43 3cx5 s LEU 40 Cb -0.06 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 3cx5 s LEU 40 CO -0.00 -0.28 1.05 -0.36 -1.32 0.00 0.00 176.35 175.44 3cx5 s PHE 41 N 1.21 3.15 0.60 5.38 0.40 -1.25 -1.60 117.98 125.87 3cx5 s PHE 41 Ca -0.04 1.43 0.30 0.00 -0.60 0.00 0.00 56.93 58.03 3cx5 s PHE 41 Cb -0.20 -2.89 1.76 0.00 0.51 0.00 0.00 43.02 42.20 3cx5 s PHE 41 CO -0.02 -1.11 2.16 -1.00 0.70 0.00 0.00 175.22 175.95 3cx5 h PRO 42 N -0.32 0.00 -0.90 0.24 0.13 -1.95 0.49 132.00 129.69 3cx5 h PRO 42 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3cx5 h PRO 42 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3cx5 h PRO 42 CO 0.58 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.76 3cx5 n GLY 43 N -1.35 1.88 4.02 1.56 0.00 -1.26 -4.90 105.19 105.14 3cx5 n GLY 43 Ca -0.00 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 3cx5 n GLY 43 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cx5 n ASN 44 N 0.15 -0.96 -3.99 1.61 3.02 0.16 -4.97 115.26 110.29 3cx5 n ASN 44 Ca 0.07 -1.01 -0.31 0.00 -0.03 0.00 0.00 54.58 53.30 3cx5 n ASN 44 Cb 0.49 -2.97 -0.15 0.00 -0.61 0.00 0.00 39.78 36.54 3cx5 n ASN 44 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3cx5 s LYS 45 N -6.66 1.51 0.36 3.52 -2.85 -1.25 -4.96 119.74 109.40 3cx5 s LYS 45 Ca 0.16 -1.95 -0.28 0.00 -1.00 0.00 0.00 55.97 52.90 3cx5 s LYS 45 Cb -0.09 -3.14 -0.10 0.00 -2.06 0.00 0.00 37.83 32.44 3cx5 s LYS 45 CO 0.90 -0.97 1.39 -0.51 0.10 0.00 0.00 175.35 176.25 3cx5 s LEU 46 N 0.74 4.36 -0.03 2.77 1.43 -1.26 -3.84 118.68 122.86 3cx5 s LEU 46 Ca 0.12 2.85 0.01 0.00 -1.03 0.00 0.00 54.13 56.08 3cx5 s LEU 46 Cb -0.20 -3.68 0.02 0.00 0.03 0.00 0.00 46.19 42.36 3cx5 s LEU 46 CO -0.08 -0.71 -0.03 -0.70 0.23 0.00 0.00 176.35 175.06 3cx5 s GLU 47 N -1.96 0.55 -0.31 1.70 2.12 -0.55 -5.01 118.70 115.24 3cx5 s GLU 47 Ca 0.51 -0.06 -0.27 0.00 0.36 0.00 0.00 54.97 55.51 3cx5 s GLU 47 Cb -0.43 -0.61 0.01 0.00 0.26 0.00 0.00 34.13 33.36 3cx5 s GLU 47 CO 0.57 -0.05 0.96 -0.46 -0.54 0.00 0.00 175.26 175.74 3cx5 s TRP 48 N 0.70 3.18 -0.09 5.30 -0.00 -1.26 -1.26 118.94 125.50 3cx5 s TRP 48 Ca -0.08 1.04 -0.18 0.00 -0.00 0.00 0.00 56.10 56.88 3cx5 s TRP 48 Cb -0.11 -3.49 -0.14 0.00 -0.00 0.00 0.00 33.47 29.72 3cx5 s TRP 48 CO -0.00 -0.68 0.61 0.28 -0.00 0.00 0.00 176.95 177.16 3cx5 h VAL 49 N 5.67 0.88 0.00 5.86 2.07 -1.53 -3.41 116.25 125.79 3cx5 h VAL 49 Ca -0.22 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 65.87 3cx5 h VAL 49 Cb 1.07 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 3cx5 h VAL 49 CO 0.97 0.27 0.00 0.61 0.02 0.00 0.00 177.57 179.44 3cx5 n GLY 50 N 1.18 -1.79 3.57 2.17 0.00 -1.05 -1.75 105.19 107.52 3cx5 n GLY 50 Ca -0.06 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.62 3cx5 n GLY 50 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3cx5 s TYR 51 N -2.68 0.83 -0.04 1.61 -0.00 -1.02 -1.12 117.35 114.93 3cx5 s TYR 51 Ca 0.00 -1.17 -0.02 0.00 -0.00 0.00 0.00 57.07 55.89 3cx5 s TYR 51 Cb 0.00 0.14 0.03 0.00 -0.00 0.00 0.00 41.96 42.13 3cx5 s TYR 51 CO 0.00 -1.23 0.04 -1.50 -0.00 0.00 0.00 175.55 172.86 3cx5 s ILE 52 N -2.91 -0.02 1.00 -3.49 2.07 -0.76 -3.11 121.20 113.99 3cx5 s ILE 52 Ca 0.27 0.34 -0.12 0.00 -1.41 0.00 0.00 60.65 59.72 3cx5 s ILE 52 Cb -0.02 -0.20 0.19 0.00 0.13 0.00 0.00 42.46 42.56 3cx5 s ILE 52 CO 0.18 0.18 1.10 -0.94 -1.91 0.00 0.00 174.94 173.54 3cx5 s SER 53 N 1.94 2.63 0.50 4.50 1.04 0.29 -1.97 113.70 122.63 3cx5 s SER 53 Ca 0.02 1.15 0.34 0.00 0.48 0.00 0.00 55.95 57.94 3cx5 s SER 53 Cb -0.12 -1.81 1.62 0.00 0.10 0.00 0.00 66.02 65.81 3cx5 s SER 53 CO -0.03 -3.12 2.01 -0.55 0.98 0.00 0.00 173.24 172.53 3cx5 h ASN 54 N -1.89 0.00 0.84 7.02 7.08 -1.32 -1.26 115.58 126.06 3cx5 h ASN 54 Ca -0.54 0.00 -0.12 0.00 -3.08 0.00 0.00 56.30 52.55 3cx5 h ASN 54 Cb 1.33 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.55 3cx5 h ASN 54 CO 0.58 0.00 -1.24 0.58 -2.08 0.00 0.00 177.43 175.27 3cx5 h VAL 55 N 0.00 0.40 0.00 6.14 2.07 -1.84 -3.38 116.25 119.63 3cx5 h VAL 55 Ca 0.00 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.75 3cx5 h VAL 55 Cb 0.23 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3cx5 h VAL 55 CO 0.00 0.23 0.00 0.61 0.02 0.00 0.00 177.57 178.43 3cx5 n GLY 56 N 1.33 0.94 3.78 2.17 0.00 -0.47 -5.11 105.19 107.83 3cx5 n GLY 56 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3cx5 n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cx5 s ASP 57 N -1.11 6.14 0.18 1.61 1.01 -1.26 -4.67 116.67 118.58 3cx5 s ASP 57 Ca 0.00 2.09 0.08 0.00 0.71 0.00 0.00 52.55 55.43 3cx5 s ASP 57 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 3cx5 s ASP 57 CO 0.00 -0.92 -0.02 0.20 0.21 0.00 0.00 175.17 174.64 3cx5 s ASN 58 N -1.76 4.68 -0.29 0.27 0.02 -1.26 -0.55 114.94 116.06 3cx5 s ASN 58 Ca 0.67 -0.43 0.01 0.00 -1.02 0.00 0.00 52.86 52.09 3cx5 s ASN 58 Cb -0.22 -0.96 0.15 0.00 0.02 0.00 0.00 41.25 40.24 3cx5 s ASN 58 CO 0.26 0.09 0.37 0.21 0.02 0.00 0.00 177.10 178.04 3cx5 s ASN 59 N -2.95 0.83 -0.00 -1.22 3.84 -1.18 -5.01 114.94 109.24 3cx5 s ASN 59 Ca 0.27 -0.47 -0.02 0.00 0.21 0.00 0.00 52.86 52.85 3cx5 s ASN 59 Cb -0.09 0.89 -0.04 0.00 -0.55 0.00 0.00 41.25 41.46 3cx5 s ASN 59 CO 0.18 -0.36 0.17 -0.31 -2.79 0.00 0.00 177.10 173.98 3cx5 s TYR 60 N 2.48 3.50 0.05 0.43 2.02 -1.26 -2.42 117.35 122.15 3cx5 s TYR 60 Ca 0.10 0.32 -0.31 0.00 -0.37 0.00 0.00 57.07 56.81 3cx5 s TYR 60 Cb -0.13 -1.81 -0.08 0.00 -0.40 0.00 0.00 41.96 39.55 3cx5 s TYR 60 CO -0.30 0.63 1.60 1.21 -1.57 0.00 0.00 175.55 177.12 3cx5 s ASN 61 N -1.94 6.66 0.61 2.29 3.04 -0.72 -4.81 114.94 120.06 3cx5 s ASN 61 Ca 0.27 2.40 0.28 0.00 0.04 0.00 0.00 52.86 55.85 3cx5 s ASN 61 Cb -0.13 -2.56 1.48 0.00 -1.54 0.00 0.00 41.25 38.50 3cx5 s ASN 61 CO 0.18 -0.85 1.88 1.55 -3.04 0.00 0.00 177.10 176.82 3cx5 h PRO 62 N 8.27 0.00 0.00 0.43 0.13 -1.94 0.82 132.00 139.71 3cx5 h PRO 62 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3cx5 h PRO 62 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3cx5 h PRO 62 CO 0.92 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 179.14 3cx5 n SER 63 N -3.52 0.11 0.00 1.44 2.88 -1.26 -3.25 113.62 110.01 3cx5 n SER 63 Ca 0.06 0.53 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 3cx5 n SER 63 Cb 0.62 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 3cx5 n SER 63 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3cx5 n LEU 64 N -1.62 0.00 -0.33 2.46 4.77 0.16 -4.96 117.00 117.48 3cx5 n LEU 64 Ca 0.03 -0.01 0.07 0.00 -0.03 0.00 0.00 56.01 56.06 3cx5 n LEU 64 Cb 0.14 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.39 3cx5 n LEU 64 CO 0.12 0.02 0.71 0.07 -1.33 0.00 0.00 177.39 176.98 3cx5 h LYS 65 N 0.00 0.01 0.00 3.23 2.10 -1.19 -0.17 116.57 120.55 3cx5 h LYS 65 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3cx5 h LYS 65 Cb 0.61 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 3cx5 h LYS 65 CO 0.00 0.01 0.00 -0.40 -2.00 0.00 0.00 179.45 177.06 3cx5 n ASP 66 N -5.55 0.00 -0.01 7.07 5.75 -1.26 -4.06 116.55 118.48 3cx5 n ASP 66 Ca 0.16 -0.75 -0.02 0.00 -0.01 0.00 0.00 54.79 54.17 3cx5 n ASP 66 Cb 0.53 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.60 3cx5 n ASP 66 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3cx5 n ARG 67 N -1.01 0.07 -1.81 0.11 1.74 -0.12 -5.02 116.66 110.62 3cx5 n ARG 67 Ca 0.18 0.02 -0.30 0.00 -0.77 0.00 0.00 57.85 56.99 3cx5 n ARG 67 Cb 0.09 -0.93 0.07 0.00 -1.02 0.00 0.00 32.46 30.66 3cx5 n ARG 67 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 3cx5 s LEU 68 N -5.43 2.72 -0.32 0.55 0.05 -0.93 -2.41 118.68 112.91 3cx5 s LEU 68 Ca -0.04 1.07 0.06 0.00 0.05 0.00 0.00 54.13 55.27 3cx5 s LEU 68 Cb 0.01 -3.75 0.19 0.00 -2.05 0.00 0.00 46.19 40.59 3cx5 s LEU 68 CO 0.06 -1.63 0.55 -0.55 -0.55 0.00 0.00 176.35 174.23 3cx5 s SER 69 N -4.32 -1.06 -0.50 1.48 0.15 -0.29 -4.97 113.70 104.18 3cx5 s SER 69 Ca 0.60 -0.23 -0.21 0.00 0.70 0.00 0.00 55.95 56.81 3cx5 s SER 69 Cb -0.12 1.76 0.05 0.00 -1.71 0.00 0.00 66.02 66.00 3cx5 s SER 69 CO 0.52 -0.28 0.70 -0.63 1.20 0.00 0.00 173.24 174.75 3cx5 s ILE 70 N 2.48 4.75 0.38 6.45 1.01 -1.26 -2.74 121.20 132.26 3cx5 s ILE 70 Ca 0.12 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.61 3cx5 s ILE 70 Cb -0.09 -4.34 0.03 0.00 0.01 0.00 0.00 42.46 38.07 3cx5 s ILE 70 CO -0.21 -0.83 0.25 0.35 0.00 0.00 0.00 174.94 174.49 3cx5 n THR 71 N 5.80 0.00 -3.79 2.92 -2.24 -1.05 -4.86 114.28 111.06 3cx5 n THR 71 Ca -0.04 -1.53 -0.09 0.00 -2.27 0.00 0.00 64.05 60.12 3cx5 n THR 71 Cb 0.46 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 3cx5 n THR 71 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cx5 s ARG 72 N -3.53 1.37 -0.31 -0.78 1.70 -1.26 0.09 118.95 116.23 3cx5 s ARG 72 Ca 0.19 -0.94 -0.01 0.00 -0.47 0.00 0.00 55.73 54.50 3cx5 s ARG 72 Cb -0.02 0.50 0.10 0.00 -0.57 0.00 0.00 34.95 34.96 3cx5 s ARG 72 CO 0.12 -0.57 0.10 0.34 -1.08 0.00 0.00 175.30 174.21 3cx5 s ASP 73 N -2.90 3.99 0.26 -2.89 -1.08 0.66 -4.94 116.67 109.77 3cx5 s ASP 73 Ca 0.11 -1.61 -0.01 0.00 -0.52 0.00 0.00 52.55 50.52 3cx5 s ASP 73 Cb -0.01 -0.82 0.48 0.00 -1.46 0.00 0.00 42.92 41.11 3cx5 s ASP 73 CO -0.01 -0.42 1.82 0.74 0.52 0.00 0.00 175.17 177.82 3cx5 h THR 74 N 6.48 0.90 -0.50 1.71 2.02 -1.97 0.12 112.91 121.67 3cx5 h THR 74 Ca -0.14 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 66.76 3cx5 h THR 74 Cb 1.01 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3cx5 h THR 74 CO 0.47 0.16 0.30 0.28 0.37 0.00 0.00 175.52 177.10 3cx5 h SER 75 N 0.88 0.50 0.29 4.18 0.02 -1.95 -2.74 113.55 114.73 3cx5 h SER 75 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 3cx5 h SER 75 Cb 0.44 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3cx5 h SER 75 CO -0.26 0.35 -0.43 0.29 -1.14 0.00 0.00 176.83 175.64 3cx5 n LYS 76 N -4.79 0.50 -3.42 3.45 5.02 -1.05 -4.98 118.16 112.89 3cx5 n LYS 76 Ca 0.03 -0.32 -0.19 0.00 -2.02 0.00 0.00 58.31 55.81 3cx5 n LYS 76 Cb 0.07 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.65 3cx5 n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3cx5 n ASN 77 N -0.97 -4.86 -3.78 4.39 4.05 0.00 -4.80 115.26 109.30 3cx5 n ASN 77 Ca 0.09 -0.76 -0.13 0.00 0.45 0.00 0.00 54.58 54.22 3cx5 n ASN 77 Cb 0.35 -4.71 -0.10 0.00 1.23 0.00 0.00 39.78 36.55 3cx5 n ASN 77 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3cx5 s GLN 78 N -5.06 0.54 0.07 1.20 -2.07 -1.08 -2.22 119.66 111.04 3cx5 s GLN 78 Ca 0.32 -0.02 0.09 0.00 -1.82 0.00 0.00 55.36 53.93 3cx5 s GLN 78 Cb -0.06 0.24 -0.03 0.00 -1.09 0.00 0.00 33.01 32.07 3cx5 s GLN 78 CO 0.77 -0.13 -0.23 -0.59 -1.32 0.00 0.00 175.29 173.80 3cx5 s PHE 79 N -0.84 2.43 0.32 9.60 -0.12 -0.90 -0.24 117.98 128.23 3cx5 s PHE 79 Ca -0.09 -0.33 0.09 0.00 -0.05 0.00 0.00 56.93 56.54 3cx5 s PHE 79 Cb -0.05 -1.37 -0.05 0.00 -0.63 0.00 0.00 43.02 40.92 3cx5 s PHE 79 CO 0.03 0.26 0.07 -0.06 -0.05 0.00 0.00 175.22 175.46 3cx5 s PHE 80 N -0.96 2.66 -0.05 3.49 0.40 0.11 -1.31 117.98 122.33 3cx5 s PHE 80 Ca 0.14 -0.36 0.03 0.00 -0.60 0.00 0.00 56.93 56.14 3cx5 s PHE 80 Cb -0.10 -1.49 0.01 0.00 0.51 0.00 0.00 43.02 41.95 3cx5 s PHE 80 CO 0.05 0.45 -0.12 -1.17 0.70 0.00 0.00 175.22 175.13 3cx5 s LEU 81 N -3.77 1.71 -0.20 -0.37 2.96 -0.04 -2.51 118.68 116.45 3cx5 s LEU 81 Ca 0.35 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.95 3cx5 s LEU 81 Cb -0.03 -0.78 0.07 0.00 0.50 0.00 0.00 46.19 45.95 3cx5 s LEU 81 CO 0.21 0.06 0.08 -0.75 -1.32 0.00 0.00 176.35 174.63 3cx5 s LYS 82 N 0.46 0.33 -0.37 1.98 2.20 -1.11 -1.33 119.74 121.90 3cx5 s LYS 82 Ca -0.10 -0.32 -0.09 0.00 -0.36 0.00 0.00 55.97 55.10 3cx5 s LYS 82 Cb -0.13 -1.85 0.04 0.00 -1.51 0.00 0.00 37.83 34.37 3cx5 s LYS 82 CO 0.03 -0.72 0.18 -1.17 -0.36 0.00 0.00 175.35 173.30 3cx5 s LEU 83 N 2.00 4.64 0.70 5.43 2.96 -0.56 -1.14 118.68 132.71 3cx5 s LEU 83 Ca 0.02 -1.13 -0.12 0.00 -0.22 0.00 0.00 54.13 52.69 3cx5 s LEU 83 Cb -0.16 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.58 3cx5 s LEU 83 CO -0.13 -0.39 1.07 0.20 -1.32 0.00 0.00 176.35 175.78 3cx5 s ASN 84 N 1.58 5.17 -0.51 3.68 0.01 -1.01 -0.95 114.94 122.90 3cx5 s ASN 84 Ca 0.01 1.75 -0.02 0.00 -0.71 0.00 0.00 52.86 53.89 3cx5 s ASN 84 Cb -0.20 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 38.95 3cx5 s ASN 84 CO 0.05 -1.58 0.39 -1.54 -1.51 0.00 0.00 177.10 172.90 3cx5 n SER 85 N -2.97 -3.11 -4.76 -1.22 3.41 -1.06 -4.91 113.62 98.99 3cx5 n SER 85 Ca 0.08 -0.59 -0.32 0.00 -0.26 0.00 0.00 58.87 57.79 3cx5 n SER 85 Cb 0.53 -1.02 0.08 0.00 -0.26 0.00 0.00 64.21 63.54 3cx5 n SER 85 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3cx5 s VAL 86 N -2.48 3.24 0.18 -3.33 -7.23 -0.38 -4.59 120.40 105.81 3cx5 s VAL 86 Ca 0.02 0.45 -0.01 0.00 -1.81 0.00 0.00 61.98 60.63 3cx5 s VAL 86 Cb -0.00 -2.93 -0.04 0.00 0.56 0.00 0.00 36.38 33.97 3cx5 s VAL 86 CO 0.58 -0.48 0.12 -0.89 -0.31 0.00 0.00 175.10 174.12 3cx5 s THR 87 N -2.72 0.02 0.11 5.32 2.01 -1.26 -0.55 115.64 118.57 3cx5 s THR 87 Ca 0.63 -1.95 0.27 0.00 0.31 0.00 0.00 61.69 60.95 3cx5 s THR 87 Cb -0.18 -2.38 0.27 0.00 0.01 0.00 0.00 72.50 70.22 3cx5 s THR 87 CO 0.52 -0.11 1.82 0.71 -0.69 0.00 0.00 174.62 176.87 3cx5 h THR 88 N 2.66 0.00 0.00 -0.82 1.35 -1.99 0.93 112.91 115.05 3cx5 h THR 88 Ca -0.35 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 3cx5 h THR 88 Cb 1.24 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3cx5 h THR 88 CO 0.54 0.00 0.00 -0.33 -0.25 0.00 0.00 175.52 175.48 3cx5 h GLU 89 N 0.00 0.00 -0.17 4.72 5.08 -1.96 -2.89 114.58 119.37 3cx5 h GLU 89 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3cx5 h GLU 89 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3cx5 h GLU 89 CO 0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 3cx5 n ASP 90 N -2.62 2.15 -4.65 1.42 10.43 0.32 -4.88 116.55 118.72 3cx5 n ASP 90 Ca 0.03 -1.76 -0.43 0.00 2.57 0.00 0.00 54.79 55.20 3cx5 n ASP 90 Cb 0.34 -0.10 -0.02 0.00 1.84 0.00 0.00 41.12 43.18 3cx5 n ASP 90 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3cx5 s THR 91 N -1.80 4.23 -0.05 -3.53 2.01 -1.09 -4.86 115.64 110.55 3cx5 s THR 91 Ca 0.34 1.45 -0.31 0.00 0.31 0.00 0.00 61.69 63.49 3cx5 s THR 91 Cb 0.20 -4.06 0.12 0.00 0.01 0.00 0.00 72.50 68.77 3cx5 s THR 91 CO 0.29 -0.26 1.34 0.00 -0.69 0.00 0.00 174.62 175.30 3cx5 s ALA 92 N 3.84 -2.44 -0.43 7.40 0.00 -1.06 -4.61 121.76 124.47 3cx5 s ALA 92 Ca 0.55 0.53 -0.20 0.00 0.00 0.00 0.00 51.96 52.84 3cx5 s ALA 92 Cb -0.20 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.48 3cx5 s ALA 92 CO 0.18 -1.10 0.59 0.95 0.00 0.00 0.00 175.76 176.38 3cx5 s THR 93 N -2.16 4.90 0.14 0.00 -4.23 -0.63 -1.51 115.64 112.15 3cx5 s THR 93 Ca 0.21 0.03 -0.23 0.00 -1.18 0.00 0.00 61.69 60.51 3cx5 s THR 93 Cb 0.04 -4.15 -0.08 0.00 1.34 0.00 0.00 72.50 69.65 3cx5 s THR 93 CO -0.04 -0.52 0.71 -0.31 -0.54 0.00 0.00 174.62 173.92 3cx5 s TYR 94 N 2.63 3.86 0.01 3.99 1.51 0.23 -1.25 117.35 128.34 3cx5 s TYR 94 Ca 0.20 1.52 0.04 0.00 -1.01 0.00 0.00 57.07 57.82 3cx5 s TYR 94 Cb -0.15 -2.68 -0.01 0.00 -0.11 0.00 0.00 41.96 39.01 3cx5 s TYR 94 CO 0.17 0.52 -0.13 0.71 -1.11 0.00 0.00 175.55 175.72 3cx5 s TYR 95 N -1.16 1.15 0.04 2.71 2.02 0.64 -0.34 117.35 122.41 3cx5 s TYR 95 Ca 0.34 -0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.79 3cx5 s TYR 95 Cb -0.22 -0.71 -0.04 0.00 -0.40 0.00 0.00 41.96 40.59 3cx5 s TYR 95 CO 0.24 0.00 0.07 0.00 -1.57 0.00 0.00 175.55 174.29 3cx5 s ALA 97 N -1.29 -1.54 -0.13 0.00 0.00 -0.07 -0.46 121.76 118.27 3cx5 s ALA 97 Ca 0.26 1.02 -0.13 0.00 0.00 0.00 0.00 51.96 53.12 3cx5 s ALA 97 Cb -0.12 0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 3cx5 s ALA 97 CO 0.18 -0.39 0.28 0.50 0.00 0.00 0.00 175.76 176.33 3cx5 s ARG 98 N -1.49 4.06 -0.19 0.00 3.52 0.00 0.29 118.95 125.14 3cx5 s ARG 98 Ca -0.10 0.10 -0.03 0.00 -0.13 0.00 0.00 55.73 55.57 3cx5 s ARG 98 Cb -0.01 -3.35 -0.01 0.00 -1.56 0.00 0.00 34.95 30.02 3cx5 s ARG 98 CO 0.06 0.41 -0.07 -1.54 -0.81 0.00 0.00 175.30 173.35 3cx5 s SER 99 N -0.05 4.21 0.90 -2.12 1.04 0.46 -1.91 113.70 116.23 3cx5 s SER 99 Ca 0.17 -0.37 -0.11 0.00 0.48 0.00 0.00 55.95 56.12 3cx5 s SER 99 Cb -0.13 -1.70 0.13 0.00 0.10 0.00 0.00 66.02 64.42 3cx5 s SER 99 CO 0.05 0.04 1.09 -1.61 0.98 0.00 0.00 173.24 173.80 3cx5 s GLU 100 N 1.10 1.25 -0.24 4.02 0.41 0.20 -2.93 118.70 122.50 3cx5 s GLU 100 Ca 0.01 0.84 -0.05 0.00 -0.41 0.00 0.00 54.97 55.36 3cx5 s GLU 100 Cb -0.15 -1.81 0.12 0.00 -1.78 0.00 0.00 34.13 30.52 3cx5 s GLU 100 CO -0.01 -2.25 0.45 -0.47 -0.49 0.00 0.00 175.26 172.48 3cx5 s TYR 101 N -2.92 -0.96 -0.06 1.61 6.14 -1.26 -2.48 117.35 117.41 3cx5 s TYR 101 Ca 0.63 1.37 0.03 0.00 0.64 0.00 0.00 57.07 59.75 3cx5 s TYR 101 Cb -0.18 0.28 0.01 0.00 0.42 0.00 0.00 41.96 42.49 3cx5 s TYR 101 CO 0.57 -0.64 -0.16 0.71 0.64 0.00 0.00 175.55 176.68 3cx5 s TYR 102 N 2.65 1.71 0.60 4.97 2.02 -0.89 -5.00 117.35 123.40 3cx5 s TYR 102 Ca 0.06 -0.61 0.28 0.00 -0.37 0.00 0.00 57.07 56.44 3cx5 s TYR 102 Cb -0.14 -1.20 1.32 0.00 -0.40 0.00 0.00 41.96 41.55 3cx5 s TYR 102 CO -0.15 -0.26 1.73 0.66 -1.57 0.00 0.00 175.55 175.95 3cx5 h SER 103 N 6.70 0.00 0.01 2.29 4.64 -2.01 0.13 113.55 125.31 3cx5 h SER 103 Ca -0.29 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.65 3cx5 h SER 103 Cb 1.19 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.23 3cx5 h SER 103 CO 0.47 0.00 -2.12 0.52 -0.87 0.00 0.00 176.83 174.83 3cx5 n VAL 104 N -3.51 1.55 1.34 0.95 0.31 -1.26 -4.54 118.33 113.17 3cx5 n VAL 104 Ca 0.12 -0.33 0.13 0.00 -0.01 0.00 0.00 64.34 64.25 3cx5 n VAL 104 Cb 0.89 -1.86 0.46 0.00 -0.91 0.00 0.00 33.84 32.42 3cx5 n VAL 104 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3cx5 n THR 105 N -4.11 0.00 -4.37 2.52 -2.24 -1.09 -5.05 114.28 99.93 3cx5 n THR 105 Ca -0.45 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3cx5 n THR 105 Cb 0.85 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 3cx5 n THR 105 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cx5 n GLY 106 N 1.28 0.47 3.90 3.38 0.00 0.43 -4.86 105.19 109.79 3cx5 n GLY 106 Ca 0.14 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 3cx5 n GLY 106 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cx5 s TYR 107 N 0.00 3.47 -0.30 1.61 1.51 -1.26 -2.10 117.35 120.28 3cx5 s TYR 107 Ca 0.00 0.63 -0.11 0.00 -1.01 0.00 0.00 57.07 56.58 3cx5 s TYR 107 Cb 0.00 -2.09 0.15 0.00 -0.11 0.00 0.00 41.96 39.91 3cx5 s TYR 107 CO 0.00 0.22 0.80 0.00 -1.11 0.00 0.00 175.55 175.46 3cx5 s ALA 108 N -2.01 -2.40 -0.71 3.71 0.00 -1.04 -4.92 121.76 114.40 3cx5 s ALA 108 Ca 0.44 2.15 -0.27 0.00 0.00 0.00 0.00 51.96 54.27 3cx5 s ALA 108 Cb -0.11 -1.96 0.03 0.00 0.00 0.00 0.00 23.12 21.09 3cx5 s ALA 108 CO 0.29 -1.00 1.28 -1.64 0.00 0.00 0.00 175.76 174.69 3cx5 s MET 109 N 2.72 3.23 -0.06 0.00 -1.94 -1.26 0.58 119.30 122.57 3cx5 s MET 109 Ca -0.02 -0.14 0.10 0.00 -1.71 0.00 0.00 55.69 53.92 3cx5 s MET 109 Cb -0.10 -4.16 -0.24 0.00 2.01 0.00 0.00 34.83 32.35 3cx5 s MET 109 CO -0.18 -2.08 0.58 -0.40 -0.01 0.00 0.00 175.02 172.93 3cx5 n ASP 110 N 9.29 1.03 -4.25 3.03 5.75 -0.80 -4.86 116.55 125.74 3cx5 n ASP 110 Ca 0.04 0.36 -0.33 0.00 -0.01 0.00 0.00 54.79 54.85 3cx5 n ASP 110 Cb 0.49 -0.14 -0.15 0.00 -1.03 0.00 0.00 41.12 40.29 3cx5 n ASP 110 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3cx5 s TYR 111 N -2.59 2.80 0.01 2.11 1.51 -1.24 -5.01 117.35 114.95 3cx5 s TYR 111 Ca -0.08 -1.12 0.07 0.00 -1.01 0.00 0.00 57.07 54.93 3cx5 s TYR 111 Cb 0.08 -1.92 -0.03 0.00 -0.11 0.00 0.00 41.96 39.98 3cx5 s TYR 111 CO 0.82 -0.53 -0.21 -1.58 -1.11 0.00 0.00 175.55 172.93 3cx5 s TRP 112 N 0.96 2.47 0.92 2.71 0.52 -1.26 -0.82 118.94 124.44 3cx5 s TRP 112 Ca -0.02 -0.32 -0.13 0.00 0.02 0.00 0.00 56.10 55.64 3cx5 s TRP 112 Cb -0.15 -1.48 0.15 0.00 -1.15 0.00 0.00 33.47 30.83 3cx5 s TRP 112 CO -0.02 0.14 1.17 0.20 0.02 0.00 0.00 176.95 178.45 3cx5 s GLY 113 N -1.06 1.60 0.52 0.98 0.00 0.39 -4.69 107.32 105.06 3cx5 s GLY 113 Ca 0.12 -0.66 0.31 0.00 0.00 0.00 0.00 44.72 44.49 3cx5 s GLY 113 CO 0.02 -0.06 1.94 0.06 0.00 0.00 0.00 173.10 175.06 3cx5 h GLN 114 N -1.53 0.00 0.00 2.90 -0.00 -1.90 -3.44 115.11 111.14 3cx5 h GLN 114 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.16 3cx5 h GLN 114 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.80 3cx5 h GLN 114 CO 0.58 0.07 0.00 0.41 -0.00 0.00 0.00 178.83 179.88 3cx5 n GLY 115 N 0.05 0.96 2.87 0.06 0.00 -1.26 -5.05 105.19 102.82 3cx5 n GLY 115 Ca 0.00 -1.56 -0.26 0.00 0.00 0.00 0.00 46.02 44.20 3cx5 n GLY 115 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3cx5 s THR 116 N -1.90 0.88 -0.25 2.61 -1.32 0.54 -4.95 115.64 111.25 3cx5 s THR 116 Ca 0.00 -0.28 -0.29 0.00 -1.21 0.00 0.00 61.69 59.91 3cx5 s THR 116 Cb 0.00 -0.98 -0.00 0.00 -1.51 0.00 0.00 72.50 70.01 3cx5 s THR 116 CO 0.00 0.27 1.22 -0.89 -2.21 0.00 0.00 174.62 173.02 3cx5 s THR 117 N 1.76 4.31 -0.12 5.08 2.01 -1.26 -0.60 115.64 126.81 3cx5 s THR 117 Ca 0.04 1.53 -0.02 0.00 0.31 0.00 0.00 61.69 63.56 3cx5 s THR 117 Cb -0.13 -4.16 -0.02 0.00 0.01 0.00 0.00 72.50 68.19 3cx5 s THR 117 CO -0.07 -0.33 -0.07 0.68 -0.69 0.00 0.00 174.62 174.14 3cx5 s VAL 118 N 3.83 3.63 -0.21 3.82 -7.23 -0.57 -4.43 120.40 119.24 3cx5 s VAL 118 Ca 0.53 -0.47 0.02 0.00 -1.81 0.00 0.00 61.98 60.24 3cx5 s VAL 118 Cb -0.17 -2.54 0.04 0.00 0.56 0.00 0.00 36.38 34.26 3cx5 s VAL 118 CO 0.17 0.53 -0.15 -0.89 -0.31 0.00 0.00 175.10 174.45 3cx5 s THR 119 N 0.03 2.00 -0.70 5.32 2.01 -0.24 -2.57 115.64 121.48 3cx5 s THR 119 Ca -0.01 -1.16 -0.25 0.00 0.31 0.00 0.00 61.69 60.58 3cx5 s THR 119 Cb -0.14 -1.95 0.04 0.00 0.01 0.00 0.00 72.50 70.47 3cx5 s THR 119 CO 0.03 0.29 1.16 -0.69 -0.69 0.00 0.00 174.62 174.72 3cx5 s VAL 120 N 1.26 3.95 0.04 3.82 1.01 -1.26 -1.91 120.40 127.32 3cx5 s VAL 120 Ca -0.00 0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 3cx5 s VAL 120 Cb -0.16 -4.82 -0.00 0.00 0.00 0.00 0.00 36.38 31.40 3cx5 s VAL 120 CO -0.10 -1.69 0.15 -0.55 0.00 0.00 0.00 175.10 172.92 3cx5 s SER 121 N 3.67 0.11 0.00 3.32 0.15 -0.55 -4.70 113.70 115.70 3cx5 s SER 121 Ca 0.31 -0.46 0.26 0.00 0.70 0.00 0.00 55.95 56.75 3cx5 s SER 121 Cb -0.11 0.26 0.96 0.00 -1.71 0.00 0.00 66.02 65.42 3cx5 s SER 121 CO 0.14 -0.55 1.68 -0.24 1.20 0.00 0.00 173.24 175.48 3cx5 n SER 122 N 0.67 1.55 -4.73 5.45 2.88 -1.26 -3.49 113.62 114.69 3cx5 n SER 122 Ca -0.19 -1.56 -0.35 0.00 -1.33 0.00 0.00 58.87 55.44 3cx5 n SER 122 Cb 0.59 -0.03 0.08 0.00 -0.75 0.00 0.00 64.21 64.09 3cx5 n SER 122 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cx5 s ALA 123 N -1.93 2.27 0.00 -1.46 0.00 -1.26 -5.01 121.76 114.37 3cx5 s ALA 123 Ca 0.36 1.01 -0.09 0.00 0.00 0.00 0.00 51.96 53.25 3cx5 s ALA 123 Cb 0.20 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 3cx5 s ALA 123 CO 0.31 -1.68 0.31 -0.46 0.00 0.00 0.00 175.76 174.24 3cx5 s TRP 124 N -1.73 3.61 -0.03 0.00 -0.00 -1.26 -4.97 118.94 114.56 3cx5 s TRP 124 Ca 0.78 0.70 -0.02 0.00 -0.00 0.00 0.00 56.10 57.56 3cx5 s TRP 124 Cb -0.32 -2.08 0.02 0.00 -0.00 0.00 0.00 33.47 31.09 3cx5 s TRP 124 CO 0.41 0.62 0.08 0.50 -0.00 0.00 0.00 176.95 178.56 3cx5 s ARG 125 N -1.55 0.05 -0.09 5.86 3.52 -1.26 -5.11 118.95 120.37 3cx5 s ARG 125 Ca 0.26 0.19 -0.29 0.00 -0.13 0.00 0.00 55.73 55.76 3cx5 s ARG 125 Cb -0.14 -0.10 -0.07 0.00 -1.56 0.00 0.00 34.95 33.09 3cx5 s ARG 125 CO 0.14 -0.09 2.09 -1.58 -0.81 0.00 0.00 175.30 175.05 3cx5 s HIS 126 N 0.61 1.21 -2.00 5.12 5.65 -1.26 -5.21 115.29 119.40 3cx5 s HIS 126 Ca -0.05 0.02 0.07 0.00 0.25 0.00 0.00 55.06 55.35 3cx5 s HIS 126 Cb -0.07 -4.10 0.41 0.00 -1.18 0.00 0.00 32.58 27.64 3cx5 s HIS 126 CO -0.02 -4.88 0.87 -0.35 -0.65 0.00 0.00 174.74 169.71