#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 0.74 -0.05 1.64 4.04 -1.26 -1.43 118.70 122.39 1vna s GLU 2 Ca 0.00 -0.74 -0.29 0.00 0.04 0.00 0.00 54.97 53.98 1vna s GLU 2 Cb 0.00 0.30 0.09 0.00 0.02 0.00 0.00 34.13 34.54 1vna s GLU 2 CO 0.00 -0.22 0.78 0.20 -1.84 0.00 0.00 175.26 174.18 1vna s GLY 3 N -2.33 -0.49 -0.48 -3.83 0.00 -1.20 -5.00 107.32 93.99 1vna s GLY 3 Ca -0.02 1.36 -0.29 0.00 0.00 0.00 0.00 44.72 45.78 1vna s GLY 3 CO -0.06 0.80 1.31 -0.19 0.00 0.00 0.00 173.10 174.95 1vna s TYR 4 N -1.75 2.52 0.27 1.90 2.02 -1.26 -3.31 117.35 117.74 1vna s TYR 4 Ca -0.05 0.61 -0.27 0.00 -0.37 0.00 0.00 57.07 56.99 1vna s TYR 4 Cb -0.00 -4.40 -0.15 0.00 -0.40 0.00 0.00 41.96 37.01 1vna s TYR 4 CO 0.02 -1.72 0.70 1.28 -1.57 0.00 0.00 175.55 174.26 1vna n LEU 5 N 8.66 0.04 -4.33 -1.29 4.77 -1.15 -4.58 117.00 119.12 1vna n LEU 5 Ca 0.13 1.11 -0.26 0.00 -0.03 0.00 0.00 56.01 56.97 1vna n LEU 5 Cb 0.49 -1.10 -0.13 0.00 -2.33 0.00 0.00 43.42 40.35 1vna n LEU 5 CO 0.71 -2.40 -0.54 0.54 -1.33 0.00 0.00 177.39 174.38 1vna s VAL 6 N -1.11 1.94 0.39 4.08 0.11 -1.26 -1.95 120.40 122.60 1vna s VAL 6 Ca 0.62 -1.65 -0.27 0.00 -2.93 0.00 0.00 61.98 57.74 1vna s VAL 6 Cb -0.79 -1.75 -0.10 0.00 -1.53 0.00 0.00 36.38 32.21 1vna s VAL 6 CO 0.58 -0.02 1.37 -0.75 -3.33 0.00 0.00 175.10 172.96 1vna s LYS 7 N -2.02 4.06 0.00 1.54 2.20 -1.25 -4.58 119.74 119.69 1vna s LYS 7 Ca 0.10 2.32 0.27 0.00 -0.36 0.00 0.00 55.97 58.30 1vna s LYS 7 Cb -0.10 -2.88 0.92 0.00 -1.51 0.00 0.00 37.83 34.27 1vna s LYS 7 CO 0.05 -0.47 1.71 1.63 -0.36 0.00 0.00 175.35 177.90 1vna n LYS 8 N 0.34 0.03 0.34 4.03 5.02 -1.26 -1.33 118.16 125.32 1vna n LYS 8 Ca 0.02 -0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.17 1vna n LYS 8 Cb 0.42 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.86 1vna n LYS 8 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1vna h SER 9 N 0.02 -0.74 0.00 4.39 0.87 -2.01 -3.39 113.55 112.70 1vna h SER 9 Ca 0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1vna h SER 9 Cb 0.49 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1vna h SER 9 CO 0.00 -0.52 0.00 -0.90 -0.53 0.00 0.00 176.83 174.88 1vna n ASP 10 N -4.39 0.46 -2.35 6.23 5.68 -1.26 -5.04 116.55 115.88 1vna n ASP 10 Ca -0.11 -1.06 -0.05 0.00 -0.50 0.00 0.00 54.79 53.07 1vna n ASP 10 Cb 0.34 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.35 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 -0.03 -0.33 0.28 6.12 0.00 -0.44 -4.63 105.19 106.15 1vna n GLY 11 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.11 0.00 -3.26 0.00 3.00 -1.26 -4.87 118.16 108.66 1vna n LYS 13 Ca -0.22 0.00 -0.44 0.00 -0.00 0.00 0.00 58.31 57.65 1vna n LYS 13 Cb 0.70 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.66 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 -0.27 3.15 0.34 5.64 5.04 -0.82 -3.85 117.35 126.58 1vna s TYR 14 Ca 0.00 -0.84 0.07 0.00 -2.44 0.00 0.00 57.07 53.86 1vna s TYR 14 Cb 0.00 -3.48 -0.01 0.00 0.35 0.00 0.00 41.96 38.82 1vna s TYR 14 CO 0.00 -0.97 0.44 0.34 -1.34 0.00 0.00 175.55 174.03 1vna s ASP 15 N 2.88 5.82 0.24 4.32 -1.08 -1.26 -2.54 116.67 125.05 1vna s ASP 15 Ca 0.09 -0.26 -0.04 0.00 -0.52 0.00 0.00 52.55 51.81 1vna s ASP 15 Cb -0.23 -1.14 -0.02 0.00 -1.46 0.00 0.00 42.92 40.06 1vna s ASP 15 CO 0.08 -0.44 0.29 0.00 0.52 0.00 0.00 175.17 175.62 1vna n PHE 17 N -0.36 0.00 -3.22 0.00 7.35 -1.26 -4.32 117.46 115.65 1vna n PHE 17 Ca 0.01 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.31 1vna n PHE 17 Cb 0.64 -0.07 -0.06 0.00 0.35 0.00 0.00 39.48 40.34 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 -2.04 3.75 -0.94 -5.13 -0.00 -1.26 -4.96 118.94 108.36 1vna s TRP 18 Ca -0.02 1.26 -0.01 0.00 -0.00 0.00 0.00 56.10 57.33 1vna s TRP 18 Cb 0.01 -2.57 0.30 0.00 -0.00 0.00 0.00 33.47 31.20 1vna s TRP 18 CO 0.05 0.46 1.30 1.28 -0.00 0.00 0.00 176.95 180.04 1vna n LEU 19 N 2.24 5.76 0.00 5.86 4.32 -1.26 -4.53 117.00 129.39 1vna n LEU 19 Ca -0.08 -5.31 0.00 0.00 -0.02 0.00 0.00 56.01 50.60 1vna n LEU 19 Cb 0.51 -1.08 0.00 0.00 -1.62 0.00 0.00 43.42 41.23 1vna n LEU 19 CO 0.43 1.84 0.00 0.61 -1.22 0.00 0.00 177.39 179.05 1vna n GLY 20 N 1.03 2.91 3.58 -0.72 0.00 -1.26 -4.95 105.19 105.78 1vna n GLY 20 Ca 0.29 -0.40 -0.53 0.00 0.00 0.00 0.00 46.02 45.39 1vna n GLY 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vna n LYS 21 N 0.00 1.04 -3.79 1.61 4.81 -1.26 -4.23 118.16 116.35 1vna n LYS 21 Ca 0.00 0.38 -0.26 0.00 -0.87 0.00 0.00 58.31 57.56 1vna n LYS 21 Cb 0.00 -2.00 -0.03 0.00 0.02 0.00 0.00 35.03 33.02 1vna n LYS 21 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1vna s ASN 22 N 0.42 6.36 -0.08 3.14 -0.87 -1.26 -4.97 114.94 117.68 1vna s ASN 22 Ca 0.85 0.29 -0.08 0.00 -1.57 0.00 0.00 52.86 52.35 1vna s ASN 22 Cb -0.98 -1.96 -0.03 0.00 -0.02 0.00 0.00 41.25 38.26 1vna s ASN 22 CO 0.48 -0.03 -0.15 1.21 -2.57 0.00 0.00 177.10 176.03 1vna n GLU 23 N -0.77 0.24 0.11 -0.60 2.13 -1.26 -3.85 120.64 116.63 1vna n GLU 23 Ca -0.06 0.10 0.12 0.00 0.66 0.00 0.00 57.16 57.98 1vna n GLU 23 Cb 0.54 -0.92 0.15 0.00 0.27 0.00 0.00 31.44 31.48 1vna n GLU 23 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1vna h HIS 24 N -0.45 0.00 0.00 4.31 3.86 -1.98 -3.08 115.15 117.80 1vna h HIS 24 Ca 0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 1vna h HIS 24 Cb 0.44 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 1vna h HIS 24 CO -0.19 0.00 -1.55 0.00 0.86 0.00 0.00 177.93 177.05 1vna h ASN 26 N 0.00 0.17 0.80 0.00 -1.24 -1.67 -3.20 115.58 110.44 1vna h ASN 26 Ca -0.14 -0.26 -0.17 0.00 0.71 0.00 0.00 56.30 56.45 1vna h ASN 26 Cb 1.40 -0.05 -0.03 0.00 0.73 0.00 0.00 38.32 40.37 1vna h ASN 26 CO 0.02 1.22 -1.30 0.74 -1.29 0.00 0.00 177.43 176.82 1vna h THR 27 N 0.03 0.63 -0.21 -3.57 2.02 -1.70 -3.19 112.91 106.91 1vna h THR 27 Ca -0.22 -2.15 -0.07 0.00 0.77 0.00 0.00 66.41 64.75 1vna h THR 27 Cb 1.96 2.15 -0.00 0.00 -1.74 0.00 0.00 68.15 70.52 1vna h THR 27 CO 0.12 0.36 -0.13 -0.08 0.37 0.00 0.00 175.52 176.16 1vna h GLU 28 N 0.00 0.47 -0.47 6.66 4.81 -1.63 -2.29 114.58 122.13 1vna h GLU 28 Ca -0.15 -0.22 -0.12 0.00 -0.13 0.00 0.00 59.36 58.75 1vna h GLU 28 Cb 1.61 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.96 1vna h GLU 28 CO 0.06 0.77 -0.18 0.00 -0.73 0.00 0.00 179.01 178.92 1vna h LYS 30 N 0.81 0.00 -6.13 0.00 1.57 -1.47 -3.23 116.57 108.12 1vna h LYS 30 Ca 0.11 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.31 1vna h LYS 30 Cb 0.73 0.00 0.19 0.00 0.08 0.00 0.00 32.23 33.23 1vna h LYS 30 CO 0.06 0.16 -1.04 0.00 -0.57 0.00 0.00 179.45 178.06 1vna n ALA 31 N -2.43 -2.89 1.72 3.86 0.00 -0.87 -4.72 120.51 115.18 1vna n ALA 31 Ca -0.02 -0.12 0.15 0.00 0.00 0.00 0.00 53.44 53.45 1vna n ALA 31 Cb 0.24 -1.48 0.82 0.00 0.00 0.00 0.00 19.45 19.02 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 1.18 0.85 0.11 0.00 2.85 -1.26 -3.06 118.16 118.83 1vna n LYS 32 Ca 0.08 -0.11 0.12 0.00 -1.05 0.00 0.00 58.31 57.35 1vna n LYS 32 Cb 0.48 -1.50 0.46 0.00 -0.65 0.00 0.00 35.03 33.82 1vna n LYS 32 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1vna n ASN 33 N -0.98 0.68 0.05 -5.58 0.23 -1.26 -4.25 115.26 104.15 1vna n ASN 33 Ca 0.20 0.62 0.00 0.00 -0.53 0.00 0.00 54.58 54.87 1vna n ASN 33 Cb 0.19 -0.78 0.00 0.00 -2.08 0.00 0.00 39.78 37.10 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 -2.20 0.00 0.00 -3.83 6.02 -1.20 -5.00 117.38 111.17 1vna n GLN 34 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1vna n GLN 34 Cb 0.30 -0.46 0.00 0.00 1.02 0.00 0.00 30.24 31.11 1vna n GLN 34 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vna n GLY 35 N 3.26 0.90 3.64 1.08 0.00 -1.17 -4.47 105.19 108.42 1vna n GLY 35 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.02 1.61 0.00 -0.02 0.00 0.13 -4.79 107.32 102.23 1vna s GLY 36 Ca 0.00 -0.05 0.23 0.00 0.00 0.00 0.00 44.72 44.90 1vna s GLY 36 CO 0.00 2.18 1.43 -1.14 0.00 0.00 0.00 173.10 175.57 1vna n SER 37 N 6.64 3.37 -4.17 1.64 3.41 -1.26 -2.76 113.62 120.48 1vna n SER 37 Ca 0.11 -1.98 -0.33 0.00 -0.26 0.00 0.00 58.87 56.42 1vna n SER 37 Cb 0.47 -0.27 -0.16 0.00 -0.26 0.00 0.00 64.21 63.99 1vna n SER 37 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1vna s TYR 38 N -1.47 2.69 0.05 7.33 5.04 -1.26 -4.85 117.35 124.88 1vna s TYR 38 Ca 0.39 -1.35 -0.28 0.00 -2.44 0.00 0.00 57.07 53.39 1vna s TYR 38 Cb 0.23 -1.83 0.10 0.00 0.35 0.00 0.00 41.96 40.81 1vna s TYR 38 CO 0.31 -0.62 1.16 0.20 -1.34 0.00 0.00 175.55 175.27 1vna s GLY 39 N 0.86 -0.34 0.00 8.97 0.00 -1.26 -1.59 107.32 113.96 1vna s GLY 39 Ca -0.06 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.13 1vna s GLY 39 CO -0.03 0.10 0.00 1.58 0.00 0.00 0.00 173.10 174.75 1vna n TYR 40 N -0.49 0.00 -3.75 1.90 0.18 -1.14 -4.85 117.16 109.02 1vna n TYR 40 Ca -0.08 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.33 1vna n TYR 40 Cb 0.62 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.46 1vna n TYR 40 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1vna n TYR 42 N 4.81 -0.42 -0.12 0.00 4.19 0.20 -4.24 117.16 121.58 1vna n TYR 42 Ca -0.12 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.09 1vna n TYR 42 Cb 0.45 0.00 0.02 0.00 0.49 0.00 0.00 39.34 40.30 1vna n TYR 42 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1vna n ALA 43 N -3.00 -0.00 -2.66 2.98 0.00 -1.26 -3.36 120.51 113.20 1vna n ALA 43 Ca 0.00 0.32 -0.04 0.00 0.00 0.00 0.00 53.44 53.72 1vna n ALA 43 Cb 0.00 -0.16 0.07 0.00 0.00 0.00 0.00 19.45 19.36 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 -4.48 -1.54 -3.81 0.00 3.72 -1.26 -4.88 117.46 105.22 1vna n PHE 44 Ca 0.04 -1.33 -0.09 0.00 -0.05 0.00 0.00 57.45 56.02 1vna n PHE 44 Cb 0.14 1.36 0.03 0.00 -0.94 0.00 0.00 39.48 40.06 1vna n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vna n ALA 45 N -0.73 -1.73 -2.45 4.37 0.00 -1.22 -2.66 120.51 116.09 1vna n ALA 45 Ca -0.13 -1.30 -0.20 0.00 0.00 0.00 0.00 53.44 51.82 1vna n ALA 45 Cb 0.76 1.03 -0.02 0.00 0.00 0.00 0.00 19.45 21.23 1vna n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vna s TRP 47 N -2.25 -0.47 0.35 0.00 -0.11 -1.12 -2.93 118.94 112.41 1vna s TRP 47 Ca 0.44 0.90 0.08 0.00 1.22 0.00 0.00 56.10 58.75 1vna s TRP 47 Cb -0.08 0.28 -0.04 0.00 -1.50 0.00 0.00 33.47 32.13 1vna s TRP 47 CO 0.29 -0.23 0.13 0.00 -4.62 0.00 0.00 176.95 172.52 1vna n GLU 49 N -1.14 0.83 0.00 0.00 0.00 -0.62 -3.25 120.64 116.46 1vna n GLU 49 Ca -0.03 -3.14 0.00 0.00 0.00 0.00 0.00 57.16 53.99 1vna n GLU 49 Cb 0.62 -1.41 0.00 0.00 0.00 0.00 0.00 31.44 30.65 1vna n GLU 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1vna n GLY 50 N 0.95 -1.75 3.49 8.31 0.00 -0.51 -4.70 105.19 110.98 1vna n GLY 50 Ca 0.21 0.68 -0.16 0.00 0.00 0.00 0.00 46.02 46.75 1vna n GLY 50 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1vna s LEU 51 N 0.00 -0.35 0.59 0.99 -0.00 -1.26 -0.70 118.68 117.95 1vna s LEU 51 Ca 0.00 0.82 -0.20 0.00 -0.00 0.00 0.00 54.13 54.75 1vna s LEU 51 Cb 0.00 2.22 -0.03 0.00 -0.00 0.00 0.00 46.19 48.38 1vna s LEU 51 CO 0.00 -0.45 1.34 -2.84 -0.00 0.00 0.00 176.35 174.40 1vna s PRO 52 N -0.68 2.90 0.52 1.48 0.02 -1.26 -4.82 135.00 133.16 1vna s PRO 52 Ca -0.08 2.18 0.29 0.00 0.02 0.00 0.00 61.00 63.41 1vna s PRO 52 Cb -0.02 -2.09 1.40 0.00 0.02 0.00 0.00 34.50 33.81 1vna s PRO 52 CO 0.06 -1.36 2.03 1.49 -0.33 0.00 0.00 177.00 178.89 1vna h GLU 53 N 1.09 0.00 0.20 5.54 4.81 -2.00 -3.13 114.58 121.09 1vna h GLU 53 Ca -0.51 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1vna h GLU 53 Cb 1.32 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.66 1vna h GLU 53 CO 0.56 0.12 -0.45 0.77 -0.73 0.00 0.00 179.01 179.28 1vna h SER 54 N 0.00 -1.30 -2.53 1.04 0.02 -2.01 -3.42 113.55 105.35 1vna h SER 54 Ca -0.00 0.13 -0.60 0.00 -0.84 0.00 0.00 61.79 60.48 1vna h SER 54 Cb 0.41 0.47 0.15 0.00 0.14 0.00 0.00 62.40 63.58 1vna h SER 54 CO 0.02 -0.53 -0.33 1.07 -1.14 0.00 0.00 176.83 175.92 1vna n THR 55 N -5.49 1.94 -1.69 -2.27 5.66 -1.19 -4.79 114.28 106.45 1vna n THR 55 Ca -0.08 -0.50 -0.44 0.00 -3.05 0.00 0.00 64.05 59.98 1vna n THR 55 Cb 0.40 -0.64 -0.04 0.00 -1.55 0.00 0.00 70.33 68.50 1vna n THR 55 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1vna n PRO 56 N 0.43 2.49 -3.49 1.09 -0.02 -1.26 -4.97 135.00 129.26 1vna n PRO 56 Ca 0.11 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1vna n PRO 56 Cb 0.41 -2.72 -0.05 0.00 -0.02 0.00 0.00 33.50 31.12 1vna n PRO 56 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1vna s THR 57 N 1.41 -0.31 0.51 3.45 -4.23 -1.26 -5.05 115.64 110.16 1vna s THR 57 Ca 0.78 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 61.11 1vna s THR 57 Cb -0.58 -1.00 -0.15 0.00 1.34 0.00 0.00 72.50 72.11 1vna s THR 57 CO 0.36 0.00 -0.09 0.00 -0.54 0.00 0.00 174.62 174.35 1vna n TYR 58 N 4.48 -2.79 -0.97 3.99 9.36 -1.26 -4.58 117.16 125.39 1vna n TYR 58 Ca -0.13 0.45 -0.30 0.00 3.32 0.00 0.00 57.90 61.25 1vna n TYR 58 Cb 0.54 -1.70 0.24 0.00 -0.63 0.00 0.00 39.34 37.79 1vna n TYR 58 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1vna s PRO 59 N -1.07 -1.29 -0.48 2.98 0.04 -1.26 -4.75 135.00 129.17 1vna s PRO 59 Ca 0.57 0.06 0.07 0.00 0.04 0.00 0.00 61.00 61.74 1vna s PRO 59 Cb -0.49 -1.58 0.19 0.00 0.04 0.00 0.00 34.50 32.65 1vna s PRO 59 CO 0.66 -3.78 0.67 -0.51 0.04 0.00 0.00 177.00 174.07 1vna s LEU 60 N -7.03 -1.20 -0.25 -3.56 1.43 -1.26 -5.11 118.68 101.69 1vna s LEU 60 Ca 0.70 -1.63 -0.29 0.00 -1.03 0.00 0.00 54.13 51.88 1vna s LEU 60 Cb -0.12 1.69 -0.06 0.00 0.03 0.00 0.00 46.19 47.73 1vna s LEU 60 CO 0.57 -0.09 2.24 -2.65 0.23 0.00 0.00 176.35 176.64 1vna n PRO 61 N 3.29 1.80 0.00 1.29 -0.01 -1.26 -3.50 135.00 136.61 1vna n PRO 61 Ca 0.17 0.47 0.00 0.00 -0.01 0.00 0.00 63.50 64.13 1vna n PRO 61 Cb 0.55 -3.15 0.00 0.00 -0.01 0.00 0.00 33.50 30.89 1vna n PRO 61 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 1vna n ASN 62 N 11.73 0.00 -3.00 2.55 4.13 -1.26 -5.01 115.26 124.40 1vna n ASN 62 Ca 0.32 0.00 -0.15 0.00 1.68 0.00 0.00 54.58 56.42 1vna n ASN 62 Cb 0.43 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.67 1vna n ASN 62 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1vna n LYS 63 N 0.00 0.91 -1.59 3.52 4.81 -1.23 -5.12 118.16 119.45 1vna n LYS 63 Ca 0.00 -2.73 -0.42 0.00 -0.87 0.00 0.00 58.31 54.29 1vna n LYS 63 Cb 0.00 -1.39 0.01 0.00 0.02 0.00 0.00 35.03 33.66 1vna n LYS 63 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1vna n SER 64 N 0.72 1.03 -0.10 3.14 2.88 -1.26 -4.78 113.62 115.25 1vna n SER 64 Ca 0.17 1.04 0.16 0.00 -1.33 0.00 0.00 58.87 58.91 1vna n SER 64 Cb 0.64 -1.32 0.87 0.00 -0.75 0.00 0.00 64.21 63.65 1vna n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81