#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vna s GLU 2 N 0.00 3.99 -0.35 -1.58 0.41 -1.26 -2.14 118.70 117.77 1vna s GLU 2 Ca 0.00 0.63 0.03 0.00 -0.41 0.00 0.00 54.97 55.22 1vna s GLU 2 Cb 0.00 -2.49 0.16 0.00 -1.78 0.00 0.00 34.13 30.02 1vna s GLU 2 CO 0.00 0.19 0.42 0.20 -0.49 0.00 0.00 175.26 175.58 1vna s GLY 3 N -2.24 -0.36 -0.77 -1.39 0.00 0.40 -4.89 107.32 98.07 1vna s GLY 3 Ca 0.52 -0.44 -0.25 0.00 0.00 0.00 0.00 44.72 44.55 1vna s GLY 3 CO 0.18 2.95 1.92 -0.19 0.00 0.00 0.00 173.10 177.96 1vna s TYR 4 N 1.86 1.72 0.19 1.90 2.02 -1.26 -1.70 117.35 122.07 1vna s TYR 4 Ca 0.14 0.74 -0.29 0.00 -0.37 0.00 0.00 57.07 57.29 1vna s TYR 4 Cb -0.13 -4.05 -0.17 0.00 -0.40 0.00 0.00 41.96 37.21 1vna s TYR 4 CO -0.13 -2.00 0.57 1.28 -1.57 0.00 0.00 175.55 173.70 1vna n LEU 5 N 13.55 -1.10 -4.80 -1.29 4.77 -0.71 -4.23 117.00 123.19 1vna n LEU 5 Ca 0.32 1.13 -0.32 0.00 -0.03 0.00 0.00 56.01 57.11 1vna n LEU 5 Cb 0.49 -0.95 -0.06 0.00 -2.33 0.00 0.00 43.42 40.57 1vna n LEU 5 CO 0.65 -2.88 -0.19 -0.69 -1.33 0.00 0.00 177.39 172.96 1vna s VAL 6 N -0.92 1.23 -1.00 4.08 1.01 -1.26 -1.13 120.40 122.41 1vna s VAL 6 Ca 0.66 -1.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.54 1vna s VAL 6 Cb -0.95 -2.12 0.08 0.00 0.00 0.00 0.00 36.38 33.39 1vna s VAL 6 CO 0.56 0.00 1.34 -0.75 0.00 0.00 0.00 175.10 176.25 1vna s LYS 7 N -3.97 3.62 0.28 2.72 2.20 -0.29 -4.28 119.74 120.01 1vna s LYS 7 Ca 0.11 -1.43 0.04 0.00 -0.36 0.00 0.00 55.97 54.33 1vna s LYS 7 Cb 0.00 -5.20 0.74 0.00 -1.51 0.00 0.00 37.83 31.86 1vna s LYS 7 CO 0.06 -2.04 1.35 1.17 -0.36 0.00 0.00 175.35 175.54 1vna n LYS 8 N 7.92 -0.07 0.00 4.03 3.00 -1.26 -1.49 118.16 130.30 1vna n LYS 8 Ca 0.30 1.28 0.00 0.00 -0.00 0.00 0.00 58.31 59.89 1vna n LYS 8 Cb 0.50 -2.07 0.00 0.00 0.00 0.00 0.00 35.03 33.46 1vna n LYS 8 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1vna n SER 9 N -5.20 0.00 0.00 3.14 3.41 -1.26 -4.81 113.62 108.90 1vna n SER 9 Ca 0.22 0.84 0.00 0.00 -0.26 0.00 0.00 58.87 59.67 1vna n SER 9 Cb 0.73 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1vna n SER 9 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1vna n ASP 10 N -2.29 0.00 0.00 4.04 5.68 -0.55 -5.14 116.55 118.28 1vna n ASP 10 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1vna n ASP 10 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1vna n ASP 10 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vna n GLY 11 N 0.00 1.57 0.00 6.12 0.00 -1.23 -5.10 105.19 106.54 1vna n GLY 11 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1vna n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vna n LYS 13 N 0.00 0.10 -2.87 0.00 0.00 -1.26 -1.14 118.16 112.99 1vna n LYS 13 Ca 0.00 0.05 -0.42 0.00 -0.00 0.00 0.00 58.31 57.94 1vna n LYS 13 Cb 0.00 -1.29 -0.04 0.00 -0.00 0.00 0.00 35.03 33.70 1vna n LYS 13 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1vna s TYR 14 N -1.97 3.33 0.52 5.58 6.14 -0.28 -4.26 117.35 126.40 1vna s TYR 14 Ca 0.56 1.19 0.01 0.00 0.64 0.00 0.00 57.07 59.46 1vna s TYR 14 Cb -0.37 -3.07 0.02 0.00 0.42 0.00 0.00 41.96 38.97 1vna s TYR 14 CO 0.68 -0.38 0.74 0.34 0.64 0.00 0.00 175.55 177.57 1vna s ASP 15 N 1.30 5.48 0.00 4.32 -1.08 -1.26 -2.66 116.67 122.77 1vna s ASP 15 Ca 0.36 0.13 0.00 0.00 -0.52 0.00 0.00 52.55 52.52 1vna s ASP 15 Cb -0.15 -1.15 0.00 0.00 -1.46 0.00 0.00 42.92 40.16 1vna s ASP 15 CO 0.08 -0.98 0.00 0.00 0.52 0.00 0.00 175.17 174.78 1vna n PHE 17 N 0.00 0.00 -1.91 0.00 7.35 -1.26 -4.94 117.46 116.70 1vna n PHE 17 Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 1vna n PHE 17 Cb 0.00 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.81 1vna n PHE 17 CO 0.00 0.00 0.00 -0.46 -0.76 0.00 0.00 176.76 175.54 1vna s TRP 18 N 0.30 2.91 0.49 -5.13 -0.00 -1.26 -4.89 118.94 111.37 1vna s TRP 18 Ca 0.00 0.88 -0.18 0.00 -0.00 0.00 0.00 56.10 56.80 1vna s TRP 18 Cb 0.00 -3.93 -0.08 0.00 -0.00 0.00 0.00 33.47 29.45 1vna s TRP 18 CO 0.00 -3.13 0.99 -0.51 -0.00 0.00 0.00 176.95 174.30 1vna s LEU 19 N -0.28 3.73 0.00 5.86 1.43 -1.26 -4.87 118.68 123.29 1vna s LEU 19 Ca 0.62 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 55.38 1vna s LEU 19 Cb -0.45 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.25 1vna s LEU 19 CO 0.44 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 177.03 1vna n GLY 20 N -1.11 -0.44 3.68 -3.19 0.00 -1.26 -4.97 105.19 97.90 1vna n GLY 20 Ca 0.07 -2.07 -0.46 0.00 0.00 0.00 0.00 46.02 43.56 1vna n GLY 20 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vna n LYS 21 N 0.00 2.33 -2.54 1.61 2.85 -1.26 -4.20 118.16 116.95 1vna n LYS 21 Ca 0.00 0.84 -0.28 0.00 -1.05 0.00 0.00 58.31 57.83 1vna n LYS 21 Cb 0.00 -2.66 0.00 0.00 -0.65 0.00 0.00 35.03 31.72 1vna n LYS 21 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1vna s ASN 22 N 2.02 6.26 0.00 -5.58 0.02 -1.26 -5.01 114.94 111.40 1vna s ASN 22 Ca 0.82 0.99 0.00 0.00 -1.02 0.00 0.00 52.86 53.66 1vna s ASN 22 Cb -0.63 -2.28 0.00 0.00 0.02 0.00 0.00 41.25 38.36 1vna s ASN 22 CO 0.41 -0.61 0.00 1.21 0.02 0.00 0.00 177.10 178.12 1vna n GLU 23 N -2.31 0.00 0.17 -0.60 0.00 -1.26 -3.61 120.64 113.03 1vna n GLU 23 Ca 0.01 0.08 0.07 0.00 0.00 0.00 0.00 57.16 57.32 1vna n GLU 23 Cb 0.55 -0.46 0.08 0.00 0.00 0.00 0.00 31.44 31.62 1vna n GLU 23 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1vna h HIS 24 N 0.00 0.00 0.00 4.31 3.86 -2.00 -3.10 115.15 118.23 1vna h HIS 24 Ca 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1vna h HIS 24 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1vna h HIS 24 CO 0.00 0.27 -0.23 0.00 0.86 0.00 0.00 177.93 178.84 1vna h ASN 26 N 0.00 0.89 1.08 0.00 -0.73 -1.60 -2.89 115.58 112.33 1vna h ASN 26 Ca -0.00 -0.74 -0.12 0.00 1.87 0.00 0.00 56.30 57.31 1vna h ASN 26 Cb 0.93 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 39.23 1vna h ASN 26 CO 0.03 1.51 -0.57 0.74 -0.37 0.00 0.00 177.43 178.77 1vna h THR 27 N 0.36 1.11 0.00 -3.57 2.02 -1.54 -1.86 112.91 109.43 1vna h THR 27 Ca -0.12 -2.22 0.00 0.00 0.77 0.00 0.00 66.41 64.84 1vna h THR 27 Cb 1.66 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 70.38 1vna h THR 27 CO 0.20 0.56 0.00 -0.08 0.37 0.00 0.00 175.52 176.57 1vna h GLU 28 N 0.00 0.00 0.03 6.66 4.81 -1.30 -2.15 114.58 122.63 1vna h GLU 28 Ca -0.01 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.84 1vna h GLU 28 Cb 1.27 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.59 1vna h GLU 28 CO 0.07 0.00 -2.32 0.00 -0.73 0.00 0.00 179.01 176.04 1vna n LYS 30 N -3.46 1.00 -1.34 0.00 4.81 -0.71 -4.13 118.16 114.31 1vna n LYS 30 Ca -0.43 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 56.65 1vna n LYS 30 Cb 0.98 -1.37 0.07 0.00 0.02 0.00 0.00 35.03 34.73 1vna n LYS 30 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vna n ALA 31 N -0.87 -0.91 0.76 3.14 0.00 -0.81 -4.79 120.51 117.03 1vna n ALA 31 Ca 0.18 -0.18 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1vna n ALA 31 Cb 0.08 -1.96 0.45 0.00 0.00 0.00 0.00 19.45 18.02 1vna n ALA 31 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1vna n LYS 32 N -1.06 0.07 -0.33 0.00 0.00 -1.26 -2.35 118.16 113.23 1vna n LYS 32 Ca 0.11 0.14 0.05 0.00 -0.00 0.00 0.00 58.31 58.62 1vna n LYS 32 Cb 0.49 -1.50 0.19 0.00 -0.00 0.00 0.00 35.03 34.21 1vna n LYS 32 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1vna n ASN 33 N -1.45 2.74 0.00 -5.58 0.23 -1.26 -4.20 115.26 105.74 1vna n ASN 33 Ca 0.06 -2.23 0.00 0.00 -0.53 0.00 0.00 54.58 51.88 1vna n ASN 33 Cb 0.22 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.50 1vna n ASN 33 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vna n GLN 34 N 0.48 0.00 -1.87 -3.83 3.00 -0.99 -5.07 117.38 109.10 1vna n GLN 34 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1vna n GLN 34 Cb 0.53 -0.30 0.00 0.00 0.00 0.00 0.00 30.24 30.47 1vna n GLN 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1vna n GLY 35 N 2.30 0.54 3.23 1.08 0.00 -1.18 -4.34 105.19 106.82 1vna n GLY 35 Ca 0.00 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 1vna n GLY 35 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1vna s GLY 36 N -2.81 1.05 -0.22 -0.02 0.00 -1.26 -4.67 107.32 99.40 1vna s GLY 36 Ca 0.00 -1.00 0.12 0.00 0.00 0.00 0.00 44.72 43.85 1vna s GLY 36 CO 0.00 -0.92 1.33 -1.14 0.00 0.00 0.00 173.10 172.37 1vna n SER 37 N 1.96 2.42 -3.45 1.64 3.41 -1.25 -4.48 113.62 113.87 1vna n SER 37 Ca -0.17 -3.59 -0.12 0.00 -0.26 0.00 0.00 58.87 54.73 1vna n SER 37 Cb 0.53 -0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 63.91 1vna n SER 37 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1vna s TYR 38 N -3.12 -0.52 0.00 7.33 2.02 -1.26 -5.09 117.35 116.72 1vna s TYR 38 Ca 0.40 0.40 0.00 0.00 -0.37 0.00 0.00 57.07 57.50 1vna s TYR 38 Cb 0.36 0.54 0.00 0.00 -0.40 0.00 0.00 41.96 42.46 1vna s TYR 38 CO -0.00 -0.77 0.00 0.41 -1.57 0.00 0.00 175.55 173.62 1vna n GLY 39 N -0.21 2.90 0.00 0.71 0.00 -1.26 -3.07 105.19 104.26 1vna n GLY 39 Ca -0.16 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1vna n GLY 39 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1vna n TYR 40 N 0.00 -0.09 -4.08 1.61 0.18 -0.91 -4.75 117.16 109.12 1vna n TYR 40 Ca 0.00 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.46 1vna n TYR 40 Cb 0.00 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 38.80 1vna n TYR 40 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1vna s TYR 42 N 1.37 3.29 0.00 0.00 5.04 -0.36 -4.53 117.35 122.15 1vna s TYR 42 Ca 0.05 -1.92 0.00 0.00 -2.44 0.00 0.00 57.07 52.76 1vna s TYR 42 Cb -0.13 -4.41 0.00 0.00 0.35 0.00 0.00 41.96 37.77 1vna s TYR 42 CO -0.12 -1.50 0.00 0.00 -1.34 0.00 0.00 175.55 172.58 1vna n ALA 43 N 6.39 0.00 -1.72 3.97 0.00 -1.26 -3.32 120.51 124.57 1vna n ALA 43 Ca 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.81 1vna n ALA 43 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.89 1vna n ALA 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1vna n PHE 44 N 0.00 0.00 -4.07 0.00 3.72 -1.26 -4.84 117.46 111.01 1vna n PHE 44 Ca 0.00 -0.01 -0.33 0.00 -0.05 0.00 0.00 57.45 57.05 1vna n PHE 44 Cb 0.00 0.23 -0.16 0.00 -0.94 0.00 0.00 39.48 38.61 1vna n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vna s ALA 45 N 0.00 2.44 -0.92 4.37 0.00 -1.21 -2.34 121.76 124.10 1vna s ALA 45 Ca 0.00 -1.22 -0.24 0.00 0.00 0.00 0.00 51.96 50.49 1vna s ALA 45 Cb 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 1vna s ALA 45 CO 0.00 -0.39 1.91 0.00 0.00 0.00 0.00 175.76 177.28 1vna s TRP 47 N 9.72 3.64 -0.03 0.00 -0.11 0.49 -1.74 118.94 130.91 1vna s TRP 47 Ca 0.68 1.77 0.02 0.00 1.22 0.00 0.00 56.10 59.79 1vna s TRP 47 Cb -0.06 -3.03 0.00 0.00 -1.50 0.00 0.00 33.47 28.88 1vna s TRP 47 CO -0.01 -0.03 -0.09 0.00 -4.62 0.00 0.00 176.95 172.20 1vna s GLU 49 N 0.21 3.07 0.00 0.00 2.12 -1.17 -0.45 118.70 122.47 1vna s GLU 49 Ca -0.03 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 54.46 1vna s GLU 49 Cb -0.09 -2.45 0.00 0.00 0.26 0.00 0.00 34.13 31.85 1vna s GLU 49 CO 0.01 0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.17 1vna n GLY 50 N 3.94 1.33 3.59 -1.50 0.00 -0.91 -3.93 105.19 107.72 1vna n GLY 50 Ca -0.20 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.33 1vna n GLY 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vna n LEU 51 N 0.00 2.90 0.00 0.99 7.99 -1.25 -4.53 117.00 123.10 1vna n LEU 51 Ca 0.00 0.67 -0.22 0.00 -0.01 0.00 0.00 56.01 56.45 1vna n LEU 51 Cb 0.00 -1.35 0.21 0.00 -0.11 0.00 0.00 43.42 42.17 1vna n LEU 51 CO 0.00 -0.41 0.24 -2.65 -1.51 0.00 0.00 177.39 173.07 1vna n PRO 52 N 7.42 -3.37 0.10 3.23 -0.02 -1.26 -3.36 135.00 137.74 1vna n PRO 52 Ca 0.30 -1.03 0.13 0.00 -2.02 0.00 0.00 63.50 60.88 1vna n PRO 52 Cb 0.28 -1.50 0.33 0.00 -0.02 0.00 0.00 33.50 32.60 1vna n PRO 52 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1vna h GLU 53 N 0.00 0.00 -0.45 -0.52 3.07 -1.99 -3.13 114.58 111.56 1vna h GLU 53 Ca -0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 1vna h GLU 53 Cb 0.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 1vna h GLU 53 CO 0.17 0.00 0.00 0.45 -1.40 0.00 0.00 179.01 178.23 1vna n SER 54 N -2.26 2.79 -4.35 1.42 2.88 -1.26 -4.77 113.62 108.06 1vna n SER 54 Ca 0.05 -1.95 -0.44 0.00 -1.33 0.00 0.00 58.87 55.20 1vna n SER 54 Cb 0.44 -0.29 -0.07 0.00 -0.75 0.00 0.00 64.21 63.53 1vna n SER 54 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1vna s THR 55 N -1.41 5.08 0.37 2.46 2.01 -1.19 -5.05 115.64 117.91 1vna s THR 55 Ca 0.36 -1.22 -0.28 0.00 0.31 0.00 0.00 61.69 60.86 1vna s THR 55 Cb 0.19 -4.10 -0.11 0.00 0.01 0.00 0.00 72.50 68.49 1vna s THR 55 CO 0.26 -0.64 1.49 -2.16 -0.69 0.00 0.00 174.62 172.88 1vna s PRO 56 N 1.60 4.12 0.16 4.92 0.04 -1.26 -4.85 135.00 139.73 1vna s PRO 56 Ca 0.04 2.56 -0.25 0.00 0.04 0.00 0.00 61.00 63.39 1vna s PRO 56 Cb -0.25 -2.98 0.06 0.00 0.04 0.00 0.00 34.50 31.37 1vna s PRO 56 CO 0.05 -0.53 0.89 0.99 0.04 0.00 0.00 177.00 178.45 1vna s THR 57 N -1.03 0.00 0.06 1.26 2.01 -1.26 -5.06 115.64 111.62 1vna s THR 57 Ca 0.53 -0.64 -0.27 0.00 0.31 0.00 0.00 61.69 61.62 1vna s THR 57 Cb -0.46 -1.86 -0.14 0.00 0.01 0.00 0.00 72.50 70.04 1vna s THR 57 CO 0.62 0.00 0.66 0.00 -0.69 0.00 0.00 174.62 175.20 1vna n TYR 58 N -0.44 0.15 -0.07 4.92 9.36 -1.26 -4.37 117.16 125.44 1vna n TYR 58 Ca -0.06 0.79 0.00 0.00 3.32 0.00 0.00 57.90 61.94 1vna n TYR 58 Cb 0.61 -1.56 0.00 0.00 -0.63 0.00 0.00 39.34 37.75 1vna n TYR 58 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1vna n PRO 59 N 1.00 0.66 -4.49 2.98 -0.04 -1.26 -4.80 135.00 129.06 1vna n PRO 59 Ca 0.15 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.35 1vna n PRO 59 Cb 0.11 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.44 1vna n PRO 59 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vna s LEU 60 N 0.00 2.25 0.00 1.53 1.43 -1.25 -5.00 118.68 117.64 1vna s LEU 60 Ca 0.00 -0.63 0.08 0.00 -1.03 0.00 0.00 54.13 52.55 1vna s LEU 60 Cb 0.00 -1.01 0.37 0.00 0.03 0.00 0.00 46.19 45.57 1vna s LEU 60 CO 0.00 0.13 1.23 -0.81 0.23 0.00 0.00 176.35 177.14 1vna n PRO 61 N 1.38 0.03 0.00 1.29 -0.04 -1.26 -4.28 135.00 132.12 1vna n PRO 61 Ca -0.18 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1vna n PRO 61 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1vna n PRO 61 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1vna n ASN 62 N -1.45 0.00 -4.72 3.54 4.13 -1.26 -5.06 115.26 110.44 1vna n ASN 62 Ca 0.02 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.86 1vna n ASN 62 Cb 0.09 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.33 1vna n ASN 62 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1vna n LYS 63 N -1.75 2.25 -1.38 3.52 4.01 -1.26 -4.90 118.16 118.66 1vna n LYS 63 Ca 0.00 0.79 -0.17 0.00 -0.51 0.00 0.00 58.31 58.42 1vna n LYS 63 Cb 0.00 -2.42 0.11 0.00 -0.51 0.00 0.00 35.03 32.20 1vna n LYS 63 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1vna n SER 64 N 0.63 4.27 0.00 4.39 3.41 -1.26 -3.85 113.62 121.20 1vna n SER 64 Ca 0.04 -3.79 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 1vna n SER 64 Cb 0.37 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1vna n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88