#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b4v s LEU 2 N 0.00 4.21 -0.03 0.99 2.96 -1.26 -5.06 118.68 120.49 3b4v s LEU 2 Ca 0.00 0.31 0.07 0.00 -0.22 0.00 0.00 54.13 54.29 3b4v s LEU 2 Cb 0.00 -2.39 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 3b4v s LEU 2 CO 0.00 0.30 -0.25 -1.83 -1.32 0.00 0.00 176.35 173.25 3b4v s GLU 3 N -1.68 2.23 1.14 1.98 -1.05 -1.26 -2.70 118.70 117.36 3b4v s GLU 3 Ca 0.23 -0.91 -0.17 0.00 -0.15 0.00 0.00 54.97 53.97 3b4v s GLU 3 Cb -0.12 -2.09 0.26 0.00 -0.44 0.00 0.00 34.13 31.73 3b4v s GLU 3 CO 0.14 0.53 1.12 0.00 0.95 0.00 0.00 175.26 178.00 3b4v s GLY 6 N -3.87 2.21 0.00 0.00 0.00 -1.26 -5.04 107.32 99.35 3b4v s GLY 6 Ca 0.70 -3.15 0.00 0.00 0.00 0.00 0.00 44.72 42.26 3b4v s GLY 6 CO 0.56 1.37 0.00 -0.62 0.00 0.00 0.00 173.10 174.41 3b4v n VAL 8 N 2.77 0.00 -0.97 1.40 0.31 -1.26 -5.07 118.33 115.51 3b4v n VAL 8 Ca 0.15 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.36 3b4v n VAL 8 Cb 0.36 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.13 3b4v n VAL 8 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3b4v n ASN 9 N 0.00 5.16 -4.81 4.52 3.02 -1.26 -4.89 115.26 117.00 3b4v n ASN 9 Ca 0.00 -2.45 -0.38 0.00 -0.03 0.00 0.00 54.58 51.72 3b4v n ASN 9 Cb 0.00 -1.38 -0.06 0.00 -0.61 0.00 0.00 39.78 37.73 3b4v n ASN 9 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3b4v s ILE 10 N 1.11 4.97 -0.31 2.41 -1.09 -1.26 0.23 121.20 127.26 3b4v s ILE 10 Ca 0.65 0.96 -0.28 0.00 -2.23 0.00 0.00 60.65 59.75 3b4v s ILE 10 Cb 0.30 -3.78 -0.12 0.00 -1.58 0.00 0.00 42.46 37.29 3b4v s ILE 10 CO -0.00 0.54 1.17 0.00 -1.23 0.00 0.00 174.94 175.41 3b4v s LYS 13 N -3.78 4.26 -0.13 0.00 2.20 -1.10 -2.09 119.74 119.10 3b4v s LYS 13 Ca 0.02 1.26 -0.06 0.00 -0.36 0.00 0.00 55.97 56.83 3b4v s LYS 13 Cb 0.00 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 3b4v s LYS 13 CO -0.12 -0.56 0.10 0.15 -0.36 0.00 0.00 175.35 174.55 3b4v s LYS 14 N 2.95 3.53 0.18 4.03 1.02 0.60 -3.57 119.74 128.48 3b4v s LYS 14 Ca 0.42 -0.24 -0.31 0.00 0.02 0.00 0.00 55.97 55.86 3b4v s LYS 14 Cb -0.15 -3.14 -0.10 0.00 -0.52 0.00 0.00 37.83 33.92 3b4v s LYS 14 CO 0.08 0.61 1.48 -0.65 -0.92 0.00 0.00 175.35 175.95 3b4v s GLN 15 N -0.57 4.26 -0.15 1.68 -1.52 -1.26 -1.42 119.66 120.68 3b4v s GLN 15 Ca 0.12 2.27 -0.05 0.00 -1.95 0.00 0.00 55.36 55.74 3b4v s GLN 15 Cb -0.12 -3.16 0.07 0.00 -0.22 0.00 0.00 33.01 29.58 3b4v s GLN 15 CO 0.02 -0.50 0.31 0.12 -0.25 0.00 0.00 175.29 174.99 3b4v s PHE 16 N 0.77 -0.53 -0.17 0.91 5.36 -1.26 -4.86 117.98 118.20 3b4v s PHE 16 Ca 0.65 1.13 -0.21 0.00 -0.96 0.00 0.00 56.93 57.55 3b4v s PHE 16 Cb -0.41 0.07 -0.03 0.00 -0.34 0.00 0.00 43.02 42.31 3b4v s PHE 16 CO 0.35 -0.39 0.62 0.12 -1.46 0.00 0.00 175.22 174.46 3b4v s PHE 17 N 2.42 3.42 -0.10 10.12 5.36 -1.26 -1.19 117.98 136.74 3b4v s PHE 17 Ca -0.00 0.97 -0.01 0.00 -0.96 0.00 0.00 56.93 56.93 3b4v s PHE 17 Cb -0.12 -2.77 -0.03 0.00 -0.34 0.00 0.00 43.02 39.76 3b4v s PHE 17 CO -0.10 -0.10 -0.05 0.14 -1.46 0.00 0.00 175.22 173.65 3b4v s VAL 18 N 1.59 3.81 -0.20 3.12 -7.23 0.14 -4.94 120.40 116.70 3b4v s VAL 18 Ca 0.30 -0.42 -0.09 0.00 -1.81 0.00 0.00 61.98 59.96 3b4v s VAL 18 Cb -0.16 -2.60 -0.05 0.00 0.56 0.00 0.00 36.38 34.13 3b4v s VAL 18 CO 0.11 0.56 0.11 -0.55 -0.31 0.00 0.00 175.10 175.03 3b4v s SER 19 N -0.38 5.97 0.54 4.85 0.15 -1.26 -0.78 113.70 122.80 3b4v s SER 19 Ca 0.06 0.15 0.32 0.00 0.70 0.00 0.00 55.95 57.17 3b4v s SER 19 Cb -0.12 -2.05 1.51 0.00 -1.71 0.00 0.00 66.02 63.65 3b4v s SER 19 CO 0.02 0.15 2.06 -0.26 1.20 0.00 0.00 173.24 176.41 3b4v h PHE 20 N 6.88 0.00 0.03 3.44 0.05 -1.20 -2.02 116.94 124.13 3b4v h PHE 20 Ca -0.39 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.40 3b4v h PHE 20 Cb 1.16 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.11 3b4v h PHE 20 CO 0.59 0.08 -0.02 -0.22 -0.18 0.00 0.00 178.31 178.57 3b4v h LYS 21 N 0.00 -0.04 -0.14 1.51 1.63 -1.93 0.93 116.57 118.54 3b4v h LYS 21 Ca -0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3b4v h LYS 21 Cb 0.40 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 3b4v h LYS 21 CO 0.01 0.06 0.09 -0.44 -3.45 0.00 0.00 179.45 175.72 3b4v h ASP 22 N -0.14 0.17 -0.15 4.20 3.32 -1.75 -2.32 116.42 119.76 3b4v h ASP 22 Ca -0.00 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 3b4v h ASP 22 Cb 0.12 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3b4v h ASP 22 CO 0.01 0.16 0.03 0.40 -1.72 0.00 0.00 179.24 178.12 3b4v h ILE 23 N 0.16 1.13 0.00 0.35 2.04 -1.54 -3.47 117.51 116.18 3b4v h ILE 23 Ca 0.05 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.45 3b4v h ILE 23 Cb 0.02 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3b4v h ILE 23 CO -0.01 0.16 0.00 0.61 0.00 0.00 0.00 178.15 178.91 3b4v n GLY 24 N -1.18 1.26 0.63 5.37 0.00 -0.60 -5.01 105.19 105.66 3b4v n GLY 24 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 3b4v n GLY 24 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3b4v n TRP 25 N -1.72 0.44 0.55 1.61 8.01 0.22 -4.63 117.44 121.93 3b4v n TRP 25 Ca 0.00 -0.49 0.10 0.00 -1.31 0.00 0.00 57.50 55.80 3b4v n TRP 25 Cb 0.00 -0.03 0.41 0.00 -2.01 0.00 0.00 31.31 29.68 3b4v n TRP 25 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.69 176.95 3b4v n ASN 26 N 0.50 0.23 0.08 -0.99 6.94 -1.04 -2.34 115.26 118.64 3b4v n ASN 26 Ca 0.11 0.55 -0.14 0.00 -0.02 0.00 0.00 54.58 55.08 3b4v n ASN 26 Cb 0.42 -0.60 -0.07 0.00 -2.36 0.00 0.00 39.78 37.17 3b4v n ASN 26 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 3b4v h ASP 27 N 0.00 0.49 0.46 0.53 2.03 -1.90 -3.36 116.42 114.68 3b4v h ASP 27 Ca 0.00 -0.43 -0.30 0.00 -0.73 0.00 0.00 57.03 55.57 3b4v h ASP 27 Cb 0.35 -0.15 -0.03 0.00 -0.83 0.00 0.00 39.33 38.67 3b4v h ASP 27 CO 0.00 1.26 -1.63 -0.50 -1.03 0.00 0.00 179.24 177.34 3b4v h TRP 28 N 0.18 0.24 -3.58 4.15 6.55 -1.88 -3.45 115.95 118.16 3b4v h TRP 28 Ca -0.10 -0.18 -0.67 0.00 0.95 0.00 0.00 58.89 58.89 3b4v h TRP 28 Cb 1.69 -0.01 -0.17 0.00 -0.86 0.00 0.00 29.16 29.81 3b4v h TRP 28 CO 0.06 1.27 -0.14 0.42 -1.05 0.00 0.00 178.44 179.01 3b4v s ILE 29 N -2.61 5.04 -0.00 1.49 1.01 -0.99 -1.08 121.20 124.06 3b4v s ILE 29 Ca -0.09 -0.10 -0.21 0.00 0.00 0.00 0.00 60.65 60.25 3b4v s ILE 29 Cb 0.08 -4.03 -0.21 0.00 0.01 0.00 0.00 42.46 38.31 3b4v s ILE 29 CO 0.82 -0.37 1.14 0.40 0.00 0.00 0.00 174.94 176.93 3b4v h ILE 30 N 5.71 1.44 -2.49 2.92 2.04 0.07 -3.44 117.51 123.76 3b4v h ILE 30 Ca -0.27 -1.84 -0.09 0.00 1.00 0.00 0.00 64.86 63.66 3b4v h ILE 30 Cb 1.11 2.45 -0.22 0.00 -0.74 0.00 0.00 36.82 39.43 3b4v h ILE 30 CO 0.79 0.53 -0.08 0.00 0.00 0.00 0.00 178.15 179.39 3b4v s ALA 31 N -3.47 -1.28 0.80 1.87 0.00 -1.00 -4.69 121.76 113.99 3b4v s ALA 31 Ca -0.14 1.23 -0.09 0.00 0.00 0.00 0.00 51.96 52.95 3b4v s ALA 31 Cb 0.03 -0.53 0.11 0.00 0.00 0.00 0.00 23.12 22.73 3b4v s ALA 31 CO 0.78 -0.27 1.13 -1.25 0.00 0.00 0.00 175.76 176.15 3b4v s PRO 32 N -0.29 1.67 0.38 0.00 0.04 -1.26 -0.94 135.00 134.60 3b4v s PRO 32 Ca -0.05 -0.33 0.28 0.00 0.04 0.00 0.00 61.00 60.94 3b4v s PRO 32 Cb -0.03 -2.06 1.00 0.00 0.04 0.00 0.00 34.50 33.45 3b4v s PRO 32 CO 0.03 -1.65 1.81 0.66 0.04 0.00 0.00 177.00 177.89 3b4v h SER 33 N -0.96 0.00 0.00 6.66 4.64 -1.91 -3.47 113.55 118.51 3b4v h SER 33 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3b4v h SER 33 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3b4v h SER 33 CO 0.53 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 3b4v n GLY 34 N 0.37 -1.02 3.73 -0.77 0.00 -1.26 -0.59 105.19 105.65 3b4v n GLY 34 Ca 0.02 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.94 3b4v n GLY 34 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3b4v s TYR 35 N -2.00 -0.27 -0.85 1.61 1.13 0.04 -4.97 117.35 112.05 3b4v s TYR 35 Ca 0.00 -0.10 -0.22 0.00 -1.41 0.00 0.00 57.07 55.34 3b4v s TYR 35 Cb 0.00 0.66 0.08 0.00 -1.10 0.00 0.00 41.96 41.60 3b4v s TYR 35 CO 0.00 -1.07 1.17 -1.01 -2.51 0.00 0.00 175.55 172.13 3b4v s HIS 36 N -3.77 2.75 0.12 -3.49 3.76 -1.26 0.27 115.29 113.68 3b4v s HIS 36 Ca 0.09 -0.86 0.04 0.00 -0.15 0.00 0.00 55.06 54.18 3b4v s HIS 36 Cb -0.04 -4.42 -0.19 0.00 1.11 0.00 0.00 32.58 29.04 3b4v s HIS 36 CO 0.01 -1.71 1.26 0.00 -0.85 0.00 0.00 174.74 173.46 3b4v h ALA 37 N 9.41 0.32 -3.27 -1.40 0.00 -1.44 -3.45 119.26 119.44 3b4v h ALA 37 Ca -0.02 -0.88 0.36 0.00 0.00 0.00 0.00 54.91 54.38 3b4v h ALA 37 Cb 1.04 -0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.59 3b4v h ALA 37 CO 1.22 1.14 -0.81 0.09 0.00 0.00 0.00 179.25 180.89 3b4v n ASN 38 N -3.44 -8.36 -3.86 0.00 3.02 -0.77 -2.13 115.26 99.73 3b4v n ASN 38 Ca -0.02 0.92 -0.09 0.00 -0.03 0.00 0.00 54.58 55.36 3b4v n ASN 38 Cb 0.94 -4.53 -0.04 0.00 -0.61 0.00 0.00 39.78 35.54 3b4v n ASN 38 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3b4v s TYR 39 N -3.08 0.01 -0.20 3.10 -0.85 -0.50 -4.68 117.35 111.14 3b4v s TYR 39 Ca 0.00 -0.40 -0.09 0.00 -0.52 0.00 0.00 57.07 56.06 3b4v s TYR 39 Cb 0.00 0.42 -0.05 0.00 0.38 0.00 0.00 41.96 42.71 3b4v s TYR 39 CO 0.00 -1.03 0.11 0.00 -1.52 0.00 0.00 175.55 173.10 3b4v s GLU 41 N 0.43 0.59 0.00 0.00 2.12 -0.89 -4.82 118.70 116.13 3b4v s GLU 41 Ca 0.06 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 54.87 3b4v s GLU 41 Cb -0.12 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.52 3b4v s GLU 41 CO -0.01 -0.15 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 3b4v n GLY 42 N 1.05 2.65 3.78 -1.50 0.00 -1.26 -0.48 105.19 109.43 3b4v n GLY 42 Ca -0.21 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.51 3b4v n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3b4v s GLU 43 N -1.83 4.55 0.34 1.61 0.41 0.14 -4.22 118.70 119.69 3b4v s GLU 43 Ca 0.00 1.13 0.08 0.00 -0.41 0.00 0.00 54.97 55.78 3b4v s GLU 43 Cb 0.00 -3.26 -0.05 0.00 -1.78 0.00 0.00 34.13 29.04 3b4v s GLU 43 CO 0.00 0.57 0.10 0.00 -0.49 0.00 0.00 175.26 175.44 3b4v s PRO 45 N -3.81 4.27 0.00 0.00 0.02 -1.26 -4.97 135.00 129.25 3b4v s PRO 45 Ca 0.37 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.70 3b4v s PRO 45 Cb -0.02 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.42 3b4v s PRO 45 CO 0.22 -0.37 0.00 -1.13 -0.33 0.00 0.00 177.00 175.39 3b4v n SER 46 N 1.64 0.00 0.21 2.53 3.41 -1.26 -4.60 113.62 115.55 3b4v n SER 46 Ca 0.04 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.77 3b4v n SER 46 Cb 0.41 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.51 3b4v n SER 46 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 3b4v h HIS 47 N 0.00 0.00 -2.85 7.33 2.07 -2.02 -3.45 115.15 116.24 3b4v h HIS 47 Ca 0.00 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 56.96 3b4v h HIS 47 Cb 0.00 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 29.95 3b4v h HIS 47 CO 0.00 0.00 1.01 0.42 -3.07 0.00 0.00 177.93 176.29 3b4v s ILE 48 N -3.22 3.96 0.09 6.12 1.01 -1.26 -4.97 121.20 122.93 3b4v s ILE 48 Ca 0.06 1.13 -0.32 0.00 0.00 0.00 0.00 60.65 61.52 3b4v s ILE 48 Cb 0.05 -3.83 -0.11 0.00 0.01 0.00 0.00 42.46 38.58 3b4v s ILE 48 CO 0.68 -0.22 1.83 0.00 0.00 0.00 0.00 174.94 177.23 3b4v n ALA 49 N 7.36 1.84 -3.53 9.38 0.00 -1.26 -4.99 120.51 129.30 3b4v n ALA 49 Ca 0.16 0.32 -0.15 0.00 0.00 0.00 0.00 53.44 53.77 3b4v n ALA 49 Cb 0.45 -2.56 -0.12 0.00 0.00 0.00 0.00 19.45 17.22 3b4v n ALA 49 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3b4v s GLY 50 N 2.87 -0.12 0.00 0.00 0.00 -1.26 -5.01 107.32 103.80 3b4v s GLY 50 Ca 0.84 0.62 0.20 0.00 0.00 0.00 0.00 44.72 46.38 3b4v s GLY 50 CO 0.40 2.18 1.62 -1.30 0.00 0.00 0.00 173.10 176.00 3b4v n THR 51 N 5.34 0.40 -1.15 0.90 -2.24 -1.26 -3.31 114.28 112.96 3b4v n THR 51 Ca -0.05 0.10 0.07 0.00 -2.27 0.00 0.00 64.05 61.90 3b4v n THR 51 Cb 0.50 -0.77 0.10 0.00 -2.10 0.00 0.00 70.33 68.05 3b4v n THR 51 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3b4v n SER 52 N -1.30 1.83 -4.67 3.42 7.64 -1.26 -5.07 113.62 114.22 3b4v n SER 52 Ca 0.09 -2.75 -0.29 0.00 1.01 0.00 0.00 58.87 56.93 3b4v n SER 52 Cb 0.16 -0.34 0.12 0.00 -1.01 0.00 0.00 64.21 63.15 3b4v n SER 52 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3b4v s GLY 53 N -2.31 1.63 0.61 0.23 0.00 -1.21 -5.01 107.32 101.27 3b4v s GLY 53 Ca 0.23 -0.76 -0.18 0.00 0.00 0.00 0.00 44.72 44.00 3b4v s GLY 53 CO 0.02 -0.18 0.80 1.44 0.00 0.00 0.00 173.10 175.17 3b4v n SER 54 N -3.55 0.04 -4.40 1.64 7.64 -1.26 -4.93 113.62 108.81 3b4v n SER 54 Ca 0.10 0.75 -0.44 0.00 1.01 0.00 0.00 58.87 60.29 3b4v n SER 54 Cb 0.60 -1.31 -0.04 0.00 -1.01 0.00 0.00 64.21 62.45 3b4v n SER 54 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3b4v s SER 55 N -1.28 6.22 0.39 6.43 0.15 -1.26 -4.88 113.70 119.46 3b4v s SER 55 Ca 0.73 -1.37 -0.26 0.00 0.70 0.00 0.00 55.95 55.75 3b4v s SER 55 Cb -0.41 -2.34 -0.09 0.00 -1.71 0.00 0.00 66.02 61.47 3b4v s SER 55 CO 0.50 -1.20 1.27 -0.76 1.20 0.00 0.00 173.24 174.25 3b4v s LEU 56 N 3.02 4.26 1.14 3.45 1.43 -1.26 -4.84 118.68 125.89 3b4v s LEU 56 Ca 0.16 2.58 -0.14 0.00 -1.03 0.00 0.00 54.13 55.70 3b4v s LEU 56 Cb -0.21 -3.87 0.27 0.00 0.03 0.00 0.00 46.19 42.41 3b4v s LEU 56 CO 0.06 -0.73 1.04 -0.94 0.23 0.00 0.00 176.35 176.02 3b4v s SER 57 N -0.78 1.27 0.16 2.29 1.04 -1.26 -4.73 113.70 111.69 3b4v s SER 57 Ca 0.55 1.27 -0.19 0.00 0.48 0.00 0.00 55.95 58.06 3b4v s SER 57 Cb -0.37 -1.97 0.07 0.00 0.10 0.00 0.00 66.02 63.86 3b4v s SER 57 CO 0.47 -3.99 1.65 0.15 0.98 0.00 0.00 173.24 172.51 3b4v h PHE 58 N -2.48 -0.36 -0.34 5.02 3.57 -1.99 -0.99 116.94 119.37 3b4v h PHE 58 Ca -0.58 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 60.89 3b4v h PHE 58 Cb 1.34 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 40.27 3b4v h PHE 58 CO -0.11 -0.23 -0.08 1.25 -2.23 0.00 0.00 178.31 176.91 3b4v h HIS 59 N -0.09 0.60 0.00 0.41 2.76 -1.99 -1.24 115.15 115.61 3b4v h HIS 59 Ca 0.18 -0.09 -0.12 0.00 -2.20 0.00 0.00 60.37 58.14 3b4v h HIS 59 Cb 0.35 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 3b4v h HIS 59 CO -0.37 0.64 -0.57 0.77 -1.30 0.00 0.00 177.93 177.10 3b4v h SER 60 N 0.53 0.00 -0.15 3.26 0.02 -1.80 -1.24 113.55 114.17 3b4v h SER 60 Ca 0.10 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 3b4v h SER 60 Cb 0.47 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 3b4v h SER 60 CO 0.03 0.57 -0.17 0.74 -1.14 0.00 0.00 176.83 176.86 3b4v h THR 61 N 0.00 1.35 0.03 -2.27 2.02 -0.86 -0.25 112.91 112.93 3b4v h THR 61 Ca -0.01 -1.35 0.03 0.00 0.77 0.00 0.00 66.41 65.86 3b4v h THR 61 Cb 1.31 1.89 -0.04 0.00 -1.74 0.00 0.00 68.15 69.57 3b4v h THR 61 CO 0.07 0.40 -0.27 0.58 0.37 0.00 0.00 175.52 176.67 3b4v h VAL 62 N 0.00 0.39 -0.70 3.16 2.07 -1.14 -1.76 116.25 118.27 3b4v h VAL 62 Ca 0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.59 3b4v h VAL 62 Cb 0.71 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 3b4v h VAL 62 CO 0.04 0.00 0.41 0.40 0.02 0.00 0.00 177.57 178.44 3b4v h ILE 63 N -0.44 1.01 -0.03 4.57 1.08 -1.15 -2.21 117.51 120.34 3b4v h ILE 63 Ca 0.05 -0.26 -0.03 0.00 -0.39 0.00 0.00 64.86 64.23 3b4v h ILE 63 Cb 0.50 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 34.43 3b4v h ILE 63 CO -0.22 0.14 -0.14 -1.13 -0.69 0.00 0.00 178.15 176.12 3b4v h ASN 64 N 0.77 0.05 -0.60 1.72 -1.24 -0.66 -0.68 115.58 114.94 3b4v h ASN 64 Ca 0.30 -0.01 0.01 0.00 0.71 0.00 0.00 56.30 57.31 3b4v h ASN 64 Cb 0.14 -0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.15 3b4v h ASN 64 CO -0.16 0.19 0.39 -0.74 -1.29 0.00 0.00 177.43 175.83 3b4v h HIS 65 N 0.05 0.75 -0.02 0.67 2.76 -0.68 -1.67 115.15 117.01 3b4v h HIS 65 Ca 0.01 0.02 -0.19 0.00 -2.20 0.00 0.00 60.37 58.00 3b4v h HIS 65 Cb 0.27 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 3b4v h HIS 65 CO 0.00 0.47 -0.83 1.88 -1.30 0.00 0.00 177.93 178.15 3b4v h TYR 66 N 0.80 0.40 -0.68 5.26 -1.99 -1.28 -3.12 116.97 116.36 3b4v h TYR 66 Ca 0.22 -0.20 0.03 0.00 2.00 0.00 0.00 58.73 60.78 3b4v h TYR 66 Cb -0.09 -0.05 -0.04 0.00 2.00 0.00 0.00 36.73 38.54 3b4v h TYR 66 CO -0.03 0.98 0.42 -0.09 -0.00 0.00 0.00 178.16 179.44 3b4v h ARG 67 N 0.17 0.80 0.00 4.88 2.43 -0.88 -2.60 114.38 119.18 3b4v h ARG 67 Ca -0.04 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3b4v h ARG 67 Cb 1.43 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3b4v h ARG 67 CO 0.13 0.53 0.00 -1.33 -1.51 0.00 0.00 179.97 177.79 3b4v n MET 68 N -4.69 0.08 -0.72 0.20 2.81 -0.65 -3.35 117.12 110.80 3b4v n MET 68 Ca 0.07 0.15 -0.02 0.00 -1.81 0.00 0.00 57.70 56.10 3b4v n MET 68 Cb 0.10 -1.61 0.21 0.00 -0.71 0.00 0.00 33.22 31.21 3b4v n MET 68 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3b4v n ARG 69 N -1.76 2.14 -2.01 0.03 1.74 -1.01 -4.96 116.66 110.83 3b4v n ARG 69 Ca 0.05 -3.08 -0.20 0.00 -0.77 0.00 0.00 57.85 53.86 3b4v n ARG 69 Cb 0.31 -1.84 -0.05 0.00 -1.02 0.00 0.00 32.46 29.87 3b4v n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b4v n GLY 70 N -0.97 0.68 3.71 -0.13 0.00 -1.21 -4.97 105.19 102.30 3b4v n GLY 70 Ca 0.31 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.93 3b4v n GLY 70 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3b4v s HIS 71 N -2.87 3.55 0.21 1.61 5.04 -1.02 -4.88 115.29 116.93 3b4v s HIS 71 Ca 0.00 1.24 -0.11 0.00 -1.54 0.00 0.00 55.06 54.66 3b4v s HIS 71 Cb 0.00 -2.84 -0.07 0.00 0.04 0.00 0.00 32.58 29.71 3b4v s HIS 71 CO 0.00 0.03 0.55 -1.12 -2.34 0.00 0.00 174.74 171.86 3b4v s SER 72 N 0.87 6.66 0.00 9.88 0.01 -1.26 -0.60 113.70 129.27 3b4v s SER 72 Ca 0.37 0.95 0.28 0.00 1.31 0.00 0.00 55.95 58.87 3b4v s SER 72 Cb -0.18 -2.24 1.03 0.00 0.21 0.00 0.00 66.02 64.84 3b4v s SER 72 CO 0.17 -0.04 1.73 -0.81 0.41 0.00 0.00 173.24 174.71 3b4v n PRO 73 N 0.05 0.92 -0.34 12.44 -0.04 -1.26 -4.90 135.00 141.87 3b4v n PRO 73 Ca -0.01 -0.45 0.12 0.00 -0.04 0.00 0.00 63.50 63.12 3b4v n PRO 73 Cb 0.52 -1.49 0.31 0.00 -0.04 0.00 0.00 33.50 32.81 3b4v n PRO 73 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3b4v h PHE 74 N 1.10 1.04 -1.08 0.54 0.04 -1.84 -1.22 116.94 115.53 3b4v h PHE 74 Ca 0.00 0.03 0.29 0.00 2.80 0.00 0.00 57.97 61.09 3b4v h PHE 74 Cb 0.43 -0.32 -0.09 0.00 2.20 0.00 0.00 35.95 38.17 3b4v h PHE 74 CO 0.00 0.30 0.71 0.00 -0.60 0.00 0.00 178.31 178.72 3b4v h ALA 75 N 1.61 2.41 0.00 2.45 0.00 -1.02 -2.47 119.26 122.24 3b4v h ALA 75 Ca 0.54 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3b4v h ALA 75 Cb 0.79 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3b4v h ALA 75 CO -0.32 -0.83 -0.01 0.09 0.00 0.00 0.00 179.25 178.18 3b4v n ASN 76 N -4.56 2.14 -4.19 0.00 3.02 -0.48 -4.85 115.26 106.34 3b4v n ASN 76 Ca 0.26 -2.62 -0.40 0.00 -0.03 0.00 0.00 54.58 51.79 3b4v n ASN 76 Cb 0.98 -0.25 -0.08 0.00 -0.61 0.00 0.00 39.78 39.81 3b4v n ASN 76 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3b4v s LEU 77 N -2.06 5.69 0.46 3.41 1.43 -0.93 -5.09 118.68 121.59 3b4v s LEU 77 Ca 0.19 -2.22 -0.25 0.00 -1.03 0.00 0.00 54.13 50.81 3b4v s LEU 77 Cb 0.16 -1.99 -0.08 0.00 0.03 0.00 0.00 46.19 44.31 3b4v s LEU 77 CO 0.02 -0.60 1.44 1.17 0.23 0.00 0.00 176.35 178.61 3b4v n LYS 78 N 4.46 2.25 -1.84 1.70 4.81 -1.26 -4.91 118.16 123.37 3b4v n LYS 78 Ca -0.01 0.80 -0.41 0.00 -0.87 0.00 0.00 58.31 57.82 3b4v n LYS 78 Cb 0.41 -2.64 -0.02 0.00 0.02 0.00 0.00 35.03 32.80 3b4v n LYS 78 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3b4v s SER 79 N -0.48 6.44 0.06 3.14 0.15 -1.26 -4.99 113.70 116.75 3b4v s SER 79 Ca 0.61 2.89 0.09 0.00 0.70 0.00 0.00 55.95 60.25 3b4v s SER 79 Cb -0.45 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.20 3b4v s SER 79 CO 0.57 -0.86 -0.25 0.00 1.20 0.00 0.00 173.24 173.91 3b4v s VAL 82 N 4.12 0.42 0.28 0.00 -7.23 -0.67 -4.64 120.40 112.68 3b4v s VAL 82 Ca 0.43 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.37 3b4v s VAL 82 Cb -0.09 -1.97 -0.12 0.00 0.56 0.00 0.00 36.38 34.76 3b4v s VAL 82 CO 0.29 -0.58 1.63 -2.65 -0.31 0.00 0.00 175.10 173.48 3b4v n PRO 83 N -0.13 2.74 -0.00 4.82 -0.02 -1.26 -1.41 135.00 139.74 3b4v n PRO 83 Ca -0.08 0.98 0.08 0.00 -2.02 0.00 0.00 63.50 62.46 3b4v n PRO 83 Cb 0.63 -2.78 -0.11 0.00 -0.02 0.00 0.00 33.50 31.21 3b4v n PRO 83 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3b4v n THR 84 N 2.56 0.00 -3.69 3.45 -2.24 0.41 -4.80 114.28 109.97 3b4v n THR 84 Ca 0.10 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 3b4v n THR 84 Cb 0.36 0.57 -0.12 0.00 -2.10 0.00 0.00 70.33 69.03 3b4v n THR 84 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3b4v s LYS 85 N -2.87 0.21 0.30 -0.78 2.20 -1.16 -4.93 119.74 112.70 3b4v s LYS 85 Ca 0.00 0.72 0.08 0.00 -0.36 0.00 0.00 55.97 56.41 3b4v s LYS 85 Cb 0.12 -0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.38 3b4v s LYS 85 CO 0.70 -0.23 0.14 -0.51 -0.36 0.00 0.00 175.35 175.09 3b4v s LEU 86 N 1.99 3.45 0.06 5.43 1.43 -1.26 0.58 118.68 130.36 3b4v s LEU 86 Ca -0.03 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 52.44 3b4v s LEU 86 Cb -0.11 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 3b4v s LEU 86 CO -0.09 -0.16 0.15 0.00 0.23 0.00 0.00 176.35 176.48 3b4v s ARG 87 N -3.82 0.74 0.84 1.70 1.70 -0.35 -4.83 118.95 114.92 3b4v s ARG 87 Ca 0.35 -0.86 -0.12 0.00 -0.47 0.00 0.00 55.73 54.64 3b4v s ARG 87 Cb -0.06 0.30 0.12 0.00 -0.57 0.00 0.00 34.95 34.74 3b4v s ARG 87 CO 0.23 -0.21 1.19 -1.25 -1.08 0.00 0.00 175.30 174.18 3b4v s PRO 88 N -3.29 1.55 0.01 3.89 0.04 -1.26 -1.86 135.00 134.08 3b4v s PRO 88 Ca 0.01 -0.20 -0.02 0.00 0.04 0.00 0.00 61.00 60.83 3b4v s PRO 88 Cb 0.02 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 3b4v s PRO 88 CO -0.08 -1.80 0.02 1.41 0.04 0.00 0.00 177.00 176.59 3b4v s MET 89 N -5.60 0.29 0.13 4.56 1.75 -0.76 -4.81 119.30 114.86 3b4v s MET 89 Ca 0.66 -0.45 -0.30 0.00 -1.25 0.00 0.00 55.69 54.35 3b4v s MET 89 Cb -0.08 0.11 -0.07 0.00 2.84 0.00 0.00 34.83 37.63 3b4v s MET 89 CO 0.49 -0.05 1.14 0.45 -0.65 0.00 0.00 175.02 176.40 3b4v s SER 90 N -1.17 7.19 0.01 1.11 0.15 -1.26 -0.53 113.70 119.19 3b4v s SER 90 Ca -0.13 2.06 0.03 0.00 0.70 0.00 0.00 55.95 58.61 3b4v s SER 90 Cb -0.08 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.63 3b4v s SER 90 CO -0.00 -0.32 -0.09 -0.04 1.20 0.00 0.00 173.24 173.99 3b4v s MET 91 N 0.18 0.65 -0.23 5.44 -1.94 0.45 -4.76 119.30 119.09 3b4v s MET 91 Ca 0.53 -0.42 -0.06 0.00 -1.71 0.00 0.00 55.69 54.03 3b4v s MET 91 Cb -0.29 -0.60 -0.02 0.00 2.01 0.00 0.00 34.83 35.92 3b4v s MET 91 CO 0.33 0.16 0.04 -1.17 -0.01 0.00 0.00 175.02 174.36 3b4v s LEU 92 N -0.53 3.31 0.18 -0.03 2.96 -0.12 -1.38 118.68 123.07 3b4v s LEU 92 Ca 0.01 -0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 53.61 3b4v s LEU 92 Cb -0.05 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 3b4v s LEU 92 CO 0.00 -0.01 0.26 -0.72 -1.32 0.00 0.00 176.35 174.56 3b4v s TYR 93 N 1.46 0.58 0.12 5.38 -0.85 0.04 0.76 117.35 124.82 3b4v s TYR 93 Ca 0.05 -0.92 -0.20 0.00 -0.52 0.00 0.00 57.07 55.48 3b4v s TYR 93 Cb -0.15 -0.16 -0.07 0.00 0.38 0.00 0.00 41.96 41.96 3b4v s TYR 93 CO 0.02 -0.72 0.64 0.71 -1.52 0.00 0.00 175.55 174.67 3b4v s TYR 94 N -4.02 3.80 0.00 -3.49 1.51 -0.24 -0.42 117.35 114.49 3b4v s TYR 94 Ca 0.22 1.36 0.00 0.00 -1.01 0.00 0.00 57.07 57.64 3b4v s TYR 94 Cb 0.04 -2.57 0.00 0.00 -0.11 0.00 0.00 41.96 39.32 3b4v s TYR 94 CO 0.04 0.53 0.00 -0.40 -1.11 0.00 0.00 175.55 174.61 3b4v n ASP 95 N 1.50 0.00 0.13 2.29 3.85 -0.75 -4.88 116.55 118.70 3b4v n ASP 95 Ca -0.08 0.00 0.09 0.00 -0.71 0.00 0.00 54.79 54.09 3b4v n ASP 95 Cb 0.50 0.00 0.04 0.00 -1.35 0.00 0.00 41.12 40.32 3b4v n ASP 95 CO 0.00 0.00 0.00 -2.24 -1.01 0.00 0.00 177.20 173.95 3b4v h ASP 96 N 0.00 0.00 -0.39 -1.12 2.03 -1.99 -3.08 116.42 111.87 3b4v h ASP 96 Ca 0.00 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.25 3b4v h ASP 96 Cb 0.00 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.47 3b4v h ASP 96 CO 0.00 0.16 0.06 0.61 -1.03 0.00 0.00 179.24 179.04 3b4v n GLY 97 N 1.19 2.56 3.69 7.15 0.00 -1.26 -4.92 105.19 113.61 3b4v n GLY 97 Ca 0.00 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 3b4v n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3b4v n GLN 98 N 0.25 -4.17 -3.54 1.61 1.13 -1.16 -4.96 117.38 106.54 3b4v n GLN 98 Ca 0.20 0.52 -0.37 0.00 -1.94 0.00 0.00 57.00 55.41 3b4v n GLN 98 Cb 0.88 -5.31 -0.06 0.00 0.11 0.00 0.00 30.24 25.86 3b4v n GLN 98 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3b4v s ASN 99 N -3.02 6.73 -0.25 1.08 0.01 -1.26 -4.77 114.94 113.46 3b4v s ASN 99 Ca 0.55 0.89 -0.29 0.00 -0.71 0.00 0.00 52.86 53.30 3b4v s ASN 99 Cb -0.29 -2.22 -0.01 0.00 0.41 0.00 0.00 41.25 39.14 3b4v s ASN 99 CO 0.68 0.28 1.40 -0.63 -1.51 0.00 0.00 177.10 177.32 3b4v s ILE 100 N -1.19 4.01 -0.12 0.60 1.01 -1.26 -1.82 121.20 122.44 3b4v s ILE 100 Ca 0.26 1.16 0.01 0.00 0.00 0.00 0.00 60.65 62.08 3b4v s ILE 100 Cb -0.16 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.34 3b4v s ILE 100 CO 0.14 -0.37 -0.14 -0.63 0.00 0.00 0.00 174.94 173.95 3b4v s ILE 101 N 4.50 1.44 -0.21 2.92 -1.09 0.44 -4.97 121.20 124.23 3b4v s ILE 101 Ca 0.61 -0.58 -0.09 0.00 -2.23 0.00 0.00 60.65 58.36 3b4v s ILE 101 Cb -0.20 -1.34 -0.05 0.00 -1.58 0.00 0.00 42.46 39.29 3b4v s ILE 101 CO 0.24 0.43 0.12 -0.75 -1.23 0.00 0.00 174.94 173.75 3b4v s LYS 102 N 1.27 4.09 -0.19 2.79 2.20 -1.26 -0.78 119.74 127.86 3b4v s LYS 102 Ca -0.01 -0.27 -0.23 0.00 -0.36 0.00 0.00 55.97 55.10 3b4v s LYS 102 Cb -0.14 -3.40 0.06 0.00 -1.51 0.00 0.00 37.83 32.84 3b4v s LYS 102 CO -0.06 0.21 0.62 0.21 -0.36 0.00 0.00 175.35 175.97 3b4v s LYS 103 N 0.59 0.77 0.02 4.03 2.20 -0.48 -4.96 119.74 121.91 3b4v s LYS 103 Ca 0.07 0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 56.09 3b4v s LYS 103 Cb -0.12 0.37 -0.05 0.00 -1.51 0.00 0.00 37.83 36.52 3b4v s LYS 103 CO 0.00 -0.13 1.25 -0.51 -0.36 0.00 0.00 175.35 175.61 3b4v s ASP 104 N 0.01 7.01 -0.21 1.43 1.11 -1.26 -0.41 116.67 124.35 3b4v s ASP 104 Ca -0.02 1.99 -0.03 0.00 0.18 0.00 0.00 52.55 54.67 3b4v s ASP 104 Cb -0.04 -2.57 -0.01 0.00 1.07 0.00 0.00 42.92 41.38 3b4v s ASP 104 CO 0.02 -0.56 -0.07 -0.63 1.18 0.00 0.00 175.17 175.12 3b4v s ILE 105 N 1.66 3.24 0.97 0.77 -1.09 0.31 -4.91 121.20 122.15 3b4v s ILE 105 Ca 0.59 -0.55 -0.15 0.00 -2.23 0.00 0.00 60.65 58.32 3b4v s ILE 105 Cb -0.29 -2.45 0.18 0.00 -1.58 0.00 0.00 42.46 38.32 3b4v s ILE 105 CO 0.27 0.45 1.22 -1.10 -1.23 0.00 0.00 174.94 174.54 3b4v s GLN 106 N 1.32 0.62 -1.59 2.79 -1.52 -1.26 -1.83 119.66 118.20 3b4v s GLN 106 Ca 0.04 -0.10 -0.15 0.00 -1.95 0.00 0.00 55.36 53.20 3b4v s GLN 106 Cb -0.14 -1.81 0.11 0.00 -0.22 0.00 0.00 33.01 30.94 3b4v s GLN 106 CO -0.03 -2.47 0.89 0.09 -0.25 0.00 0.00 175.29 173.52 3b4v n ASN 107 N -3.88 -4.07 -0.10 5.90 3.02 -1.25 -4.84 115.26 110.03 3b4v n ASN 107 Ca 0.12 -0.87 -0.21 0.00 -0.03 0.00 0.00 54.58 53.59 3b4v n ASN 107 Cb 0.60 -3.47 -0.12 0.00 -0.61 0.00 0.00 39.78 36.18 3b4v n ASN 107 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3b4v n MET 108 N -4.56 0.66 -4.92 3.52 2.81 -0.77 -4.91 117.12 108.94 3b4v n MET 108 Ca 0.04 0.21 -0.28 0.00 -1.81 0.00 0.00 57.70 55.86 3b4v n MET 108 Cb 0.52 -1.57 -0.16 0.00 -0.71 0.00 0.00 33.22 31.30 3b4v n MET 108 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3b4v s ILE 109 N -2.52 1.57 -0.04 2.02 1.01 -0.97 -4.72 121.20 117.56 3b4v s ILE 109 Ca -0.33 -0.78 -0.30 0.00 0.00 0.00 0.00 60.65 59.25 3b4v s ILE 109 Cb 0.09 -1.36 -0.05 0.00 0.01 0.00 0.00 42.46 41.15 3b4v s ILE 109 CO 0.62 0.45 1.47 -0.69 0.00 0.00 0.00 174.94 176.79 3b4v s VAL 110 N 0.16 3.72 -0.19 2.92 1.01 -0.90 -1.21 120.40 125.90 3b4v s VAL 110 Ca -0.08 1.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.85 3b4v s VAL 110 Cb -0.14 -3.65 -0.21 0.00 0.00 0.00 0.00 36.38 32.38 3b4v s VAL 110 CO 0.04 -0.04 0.10 1.21 0.00 0.00 0.00 175.10 176.40 3b4v n GLU 111 N 6.08 0.69 -4.06 2.72 4.07 0.20 -4.87 120.64 125.46 3b4v n GLU 111 Ca 0.15 0.27 -0.13 0.00 -0.06 0.00 0.00 57.16 57.39 3b4v n GLU 111 Cb 0.43 -1.64 -0.12 0.00 -0.06 0.00 0.00 31.44 30.06 3b4v n GLU 111 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3b4v s GLU 112 N -2.52 0.50 0.01 5.31 2.02 -1.11 -4.97 118.70 117.95 3b4v s GLU 112 Ca -0.29 -0.69 0.08 0.00 0.02 0.00 0.00 54.97 54.10 3b4v s GLU 112 Cb 0.08 -0.27 -0.03 0.00 0.10 0.00 0.00 34.13 34.02 3b4v s GLU 112 CO 0.67 0.05 -0.24 0.00 0.02 0.00 0.00 175.26 175.76 3b4v s GLY 114 N -0.98 0.22 0.03 0.00 0.00 -0.50 -3.51 107.32 102.57 3b4v s GLY 114 Ca 0.11 -0.59 -0.20 0.00 0.00 0.00 0.00 44.72 44.04 3b4v s GLY 114 CO 0.01 -0.34 0.58 0.00 0.00 0.00 0.00 173.10 173.35