#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jvu n GLY 2 N 0.00 2.41 3.68 -0.02 0.00 -1.26 -5.15 105.19 104.85 2jvu n GLY 2 Ca 0.00 0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2jvu n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jvu s SER 3 N 0.00 5.34 0.00 1.61 0.01 -1.26 -4.99 113.70 114.41 2jvu s SER 3 Ca 0.00 0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.40 2jvu s SER 3 Cb 0.00 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.63 2jvu s SER 3 CO 0.00 0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.60 2jvu n GLY 4 N 2.38 -1.53 3.78 3.44 0.00 -1.26 -4.90 105.19 107.09 2jvu n GLY 4 Ca -0.18 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 2jvu n GLY 4 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2jvu s TRP 5 N 0.00 2.56 -0.03 1.61 -0.00 -1.26 -5.01 118.94 116.81 2jvu s TRP 5 Ca 0.00 1.13 0.03 0.00 -0.00 0.00 0.00 56.10 57.26 2jvu s TRP 5 Cb 0.00 -4.05 -0.00 0.00 -0.00 0.00 0.00 33.47 29.42 2jvu s TRP 5 CO 0.00 -3.11 -0.12 -0.80 -0.00 0.00 0.00 176.95 172.92 2jvu s ASN 6 N -0.09 1.58 0.00 5.86 -0.87 -1.26 -4.99 114.94 115.17 2jvu s ASN 6 Ca 0.54 -0.25 0.00 0.00 -1.57 0.00 0.00 52.86 51.57 2jvu s ASN 6 Cb -0.47 -0.40 0.00 0.00 -0.02 0.00 0.00 41.25 40.36 2jvu s ASN 6 CO 0.63 0.11 0.60 0.00 -2.57 0.00 0.00 177.10 175.87 2jvu n ALA 7 N 3.18 2.24 1.00 0.60 0.00 -1.26 -3.60 120.51 122.67 2jvu n ALA 7 Ca -0.18 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.35 2jvu n ALA 7 Cb 0.54 -1.00 0.28 0.00 0.00 0.00 0.00 19.45 19.27 2jvu n ALA 7 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jvu n ASP 8 N 0.36 1.90 -0.35 0.00 2.03 -1.26 -3.88 116.55 115.35 2jvu n ASP 8 Ca 0.00 -1.84 0.01 0.00 0.52 0.00 0.00 54.79 53.48 2jvu n ASP 8 Cb 0.30 -0.17 0.01 0.00 -0.72 0.00 0.00 41.12 40.54 2jvu n ASP 8 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2jvu n ASN 9 N 0.50 0.25 -4.08 1.67 6.94 -1.24 -5.05 115.26 114.24 2jvu n ASN 9 Ca 0.15 -1.89 -0.27 0.00 -0.02 0.00 0.00 54.58 52.55 2jvu n ASN 9 Cb 0.34 -0.17 -0.17 0.00 -2.36 0.00 0.00 39.78 37.42 2jvu n ASN 9 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2jvu s VAL 10 N -0.27 1.42 0.02 3.53 -7.23 -1.25 -5.13 120.40 111.49 2jvu s VAL 10 Ca 0.03 -0.64 -0.11 0.00 -1.81 0.00 0.00 61.98 59.44 2jvu s VAL 10 Cb 0.02 -1.27 -0.05 0.00 0.56 0.00 0.00 36.38 35.64 2jvu s VAL 10 CO 0.00 0.42 0.36 -1.81 -0.31 0.00 0.00 175.10 173.76 2jvu s ASP 11 N 0.59 6.66 0.41 4.85 1.11 -1.26 -4.98 116.67 124.05 2jvu s ASP 11 Ca -0.15 0.79 0.28 0.00 0.18 0.00 0.00 52.55 53.65 2jvu s ASP 11 Cb -0.16 -2.18 0.99 0.00 1.07 0.00 0.00 42.92 42.64 2jvu s ASP 11 CO 0.05 0.27 1.82 1.55 1.18 0.00 0.00 175.17 180.04 2jvu h PRO 12 N 4.28 0.00 -0.01 8.23 0.13 -1.95 -3.11 132.00 139.58 2jvu h PRO 12 Ca -0.51 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.51 2jvu h PRO 12 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2jvu h PRO 12 CO 0.63 0.00 -0.51 0.66 -0.23 0.00 0.00 178.00 178.56 2jvu h SER 13 N 0.00 0.02 0.81 1.44 4.64 -1.90 -2.89 113.55 115.66 2jvu h SER 13 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2jvu h SER 13 Cb 0.61 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2jvu h SER 13 CO 0.00 0.52 -0.69 0.00 -0.87 0.00 0.00 176.83 175.79 2jvu n GLN 14 N -3.94 0.30 0.17 4.77 6.02 -1.18 -3.80 117.38 119.72 2jvu n GLN 14 Ca -0.02 0.07 0.03 0.00 -0.01 0.00 0.00 57.00 57.08 2jvu n GLN 14 Cb 0.52 -1.68 0.26 0.00 1.02 0.00 0.00 30.24 30.37 2jvu n GLN 14 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jvu s ILE 16 N -3.59 2.36 -0.03 0.00 -5.25 -1.22 -1.61 121.20 111.85 2jvu s ILE 16 Ca -0.00 -0.93 0.07 0.00 -0.99 0.00 0.00 60.65 58.80 2jvu s ILE 16 Cb 0.12 -1.91 -0.02 0.00 2.95 0.00 0.00 42.46 43.60 2jvu s ILE 16 CO 0.72 0.56 -0.26 -0.54 -1.79 0.00 0.00 174.94 173.63 2jvu s LYS 17 N 0.09 2.28 -0.25 0.37 1.02 -1.19 -4.90 119.74 117.16 2jvu s LYS 17 Ca -0.10 -0.92 -0.11 0.00 0.02 0.00 0.00 55.97 54.87 2jvu s LYS 17 Cb -0.16 -2.08 -0.05 0.00 -0.52 0.00 0.00 37.83 35.02 2jvu s LYS 17 CO 0.06 0.49 0.17 1.14 -0.92 0.00 0.00 175.35 176.29 2jvu s GLN 18 N -0.44 4.04 -0.57 1.68 -2.07 -1.26 -3.17 119.66 117.87 2jvu s GLN 18 Ca 0.05 -0.28 0.04 0.00 -1.82 0.00 0.00 55.36 53.34 2jvu s GLN 18 Cb -0.11 -3.57 0.16 0.00 -1.09 0.00 0.00 33.01 28.39 2jvu s GLN 18 CO 0.01 -0.00 0.38 0.45 -1.32 0.00 0.00 175.29 174.80 2jvu s SER 19 N 1.25 3.93 0.00 12.60 0.15 -1.19 -4.88 113.70 125.56 2jvu s SER 19 Ca 0.07 -3.33 0.00 0.00 0.70 0.00 0.00 55.95 53.39 2jvu s SER 19 Cb -0.14 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.86 2jvu s SER 19 CO 0.06 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.95 2jvu n GLY 20 N 2.63 0.67 2.37 9.45 0.00 -1.26 -4.46 105.19 114.59 2jvu n GLY 20 Ca 0.17 -0.66 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 2jvu n GLY 20 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jvu n VAL 21 N -0.08 0.00 -4.28 1.61 0.24 -1.26 -4.84 118.33 109.73 2jvu n VAL 21 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 2jvu n VAL 21 Cb 0.03 -0.09 -0.10 0.00 -1.47 0.00 0.00 33.84 32.21 2jvu n VAL 21 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jvu s GLN 22 N -4.07 1.14 -0.07 7.34 -2.07 -1.26 -2.01 119.66 118.65 2jvu s GLN 22 Ca 0.15 -1.51 0.04 0.00 -1.82 0.00 0.00 55.36 52.21 2jvu s GLN 22 Cb -0.09 -0.69 0.00 0.00 -1.09 0.00 0.00 33.01 31.15 2jvu s GLN 22 CO 0.18 0.06 -0.18 0.71 -1.32 0.00 0.00 175.29 174.73 2jvu s TYR 23 N -3.30 1.98 0.07 9.60 2.02 -0.57 -3.17 117.35 123.98 2jvu s TYR 23 Ca 0.20 -0.73 0.03 0.00 -0.37 0.00 0.00 57.07 56.20 2jvu s TYR 23 Cb 0.03 -1.36 -0.03 0.00 -0.40 0.00 0.00 41.96 40.20 2jvu s TYR 23 CO 0.03 -0.30 -0.09 0.95 -1.57 0.00 0.00 175.55 174.56 2jvu s THR 24 N 0.36 0.76 -0.00 -0.71 -4.23 -1.19 -3.34 115.64 107.28 2jvu s THR 24 Ca -0.13 -1.36 -0.28 0.00 -1.18 0.00 0.00 61.69 58.73 2jvu s THR 24 Cb -0.16 -1.01 -0.04 0.00 1.34 0.00 0.00 72.50 72.64 2jvu s THR 24 CO 0.05 -0.46 0.90 -0.47 -0.54 0.00 0.00 174.62 174.11 2jvu s TYR 25 N -1.89 3.66 -1.32 3.99 5.04 -1.26 -3.18 117.35 122.38 2jvu s TYR 25 Ca -0.02 1.59 -0.16 0.00 -2.44 0.00 0.00 57.07 56.04 2jvu s TYR 25 Cb -0.06 -3.02 0.08 0.00 0.35 0.00 0.00 41.96 39.30 2jvu s TYR 25 CO 0.00 0.05 1.81 -1.71 -1.34 0.00 0.00 175.55 174.35 2jvu n ASN 26 N 3.71 4.77 0.00 4.32 5.15 -0.63 -4.68 115.26 127.90 2jvu n ASN 26 Ca 0.04 -2.92 0.14 0.00 -0.60 0.00 0.00 54.58 51.23 2jvu n ASN 26 Cb 0.51 -1.69 0.66 0.00 -0.53 0.00 0.00 39.78 38.73 2jvu n ASN 26 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2jvu n SER 27 N 7.29 0.00 -0.37 1.20 3.41 -1.26 -3.56 113.62 120.34 2jvu n SER 27 Ca 0.47 0.25 -0.02 0.00 -0.26 0.00 0.00 58.87 59.32 2jvu n SER 27 Cb 0.44 -0.42 0.12 0.00 -0.26 0.00 0.00 64.21 64.09 2jvu n SER 27 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2jvu h GLY 28 N 4.89 1.40 -4.07 5.00 0.00 -1.98 -3.41 103.07 104.90 2jvu h GLY 28 Ca 0.00 -0.52 -0.52 0.00 0.00 0.00 0.00 47.33 46.29 2jvu h GLY 28 CO 0.00 0.51 0.26 -1.34 0.00 0.00 0.00 176.54 175.97 2jvu s VAL 29 N -6.10 4.35 0.34 4.60 -7.23 -1.23 -4.95 120.40 110.18 2jvu s VAL 29 Ca -0.13 1.87 0.04 0.00 -1.81 0.00 0.00 61.98 61.96 2jvu s VAL 29 Cb 0.18 -4.22 0.18 0.00 0.56 0.00 0.00 36.38 33.07 2jvu s VAL 29 CO 0.82 0.46 1.90 -1.28 -0.31 0.00 0.00 175.10 176.69 2jvu h SER 30 N 4.67 0.52 -1.01 4.85 0.87 -1.91 -2.71 113.55 118.83 2jvu h SER 30 Ca -0.45 -0.08 0.07 0.00 -1.23 0.00 0.00 61.79 60.10 2jvu h SER 30 Cb 1.20 -0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 62.96 2jvu h SER 30 CO 0.68 0.54 0.65 0.58 -0.53 0.00 0.00 176.83 178.75 2jvu h VAL 31 N 0.55 1.06 -0.81 2.23 2.07 -1.94 0.81 116.25 120.23 2jvu h VAL 31 Ca 0.12 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 2jvu h VAL 31 Cb 0.25 -0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 29.80 2jvu h VAL 31 CO 0.00 0.21 0.33 0.00 0.02 0.00 0.00 177.57 178.13 2jvu h MET 33 N 1.17 0.00 -0.73 0.00 2.86 -1.26 -3.18 114.93 113.78 2jvu h MET 33 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2jvu h MET 33 Cb 0.20 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 2jvu h MET 33 CO -0.02 0.00 0.47 1.96 1.06 0.00 0.00 176.91 180.38 2jvu h GLN 34 N 0.00 0.97 0.21 1.72 4.20 0.85 0.16 115.11 123.22 2jvu h GLN 34 Ca 0.00 -0.07 -0.28 0.00 0.06 0.00 0.00 58.65 58.36 2jvu h GLN 34 Cb 0.84 -0.21 0.03 0.00 0.30 0.00 0.00 27.48 28.44 2jvu h GLN 34 CO 0.00 0.65 -1.26 0.78 -0.67 0.00 0.00 178.83 178.33 2jvu h GLY 35 N 0.99 0.51 1.00 3.46 0.00 -1.68 -2.59 103.07 104.76 2jvu h GLY 35 Ca 0.27 -1.32 0.00 0.00 0.00 0.00 0.00 47.33 46.28 2jvu h GLY 35 CO -0.06 1.15 0.20 -2.00 0.00 0.00 0.00 176.54 175.83 2jvu h LEU 36 N -0.05 0.34 -0.67 3.11 5.85 -1.50 -1.73 115.31 120.66 2jvu h LEU 36 Ca -0.22 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.40 2jvu h LEU 36 Cb 1.98 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.90 2jvu h LEU 36 CO 0.23 0.25 0.07 -1.13 -0.34 0.00 0.00 178.44 177.51 2jvu h ASN 37 N 0.40 1.06 -0.17 1.25 -1.24 -0.78 -2.55 115.58 113.54 2jvu h ASN 37 Ca 0.11 -0.27 -0.00 0.00 0.71 0.00 0.00 56.30 56.84 2jvu h ASN 37 Cb -0.05 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.71 2jvu h ASN 37 CO -0.02 1.07 0.10 -0.08 -1.29 0.00 0.00 177.43 177.21 2jvu h GLU 38 N 1.02 0.26 0.00 6.67 4.81 -1.05 -3.46 114.58 122.83 2jvu h GLU 38 Ca 0.19 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2jvu h GLU 38 Cb 0.49 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2jvu h GLU 38 CO 0.02 0.20 0.00 0.41 -0.73 0.00 0.00 179.01 178.91 2jvu n GLY 39 N -1.43 0.72 0.08 1.92 0.00 -0.69 -4.91 105.19 100.87 2jvu n GLY 39 Ca -0.00 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.68 2jvu n GLY 39 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jvu n LYS 40 N -2.46 0.20 -4.19 1.61 4.81 -1.14 -4.91 118.16 112.07 2jvu n LYS 40 Ca 0.00 -0.15 -0.12 0.00 -0.87 0.00 0.00 58.31 57.17 2jvu n LYS 40 Cb 0.00 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 33.45 2jvu n LYS 40 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2jvu s VAL 41 N -2.91 0.82 0.00 3.15 1.01 -1.20 -4.45 120.40 116.82 2jvu s VAL 41 Ca 0.11 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.13 2jvu s VAL 41 Cb 0.17 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.83 2jvu s VAL 41 CO 0.78 -0.84 0.31 -1.14 0.00 0.00 0.00 175.10 174.22 2jvu n ARG 42 N -0.06 0.26 0.00 2.72 0.63 0.65 -4.56 116.66 116.30 2jvu n ARG 42 Ca -0.12 -0.31 0.00 0.00 -0.92 0.00 0.00 57.85 56.50 2jvu n ARG 42 Cb 0.61 -0.79 0.00 0.00 0.45 0.00 0.00 32.46 32.73 2jvu n ARG 42 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jvu n GLY 43 N 0.13 0.69 3.21 5.14 0.00 -1.21 -4.88 105.19 108.26 2jvu n GLY 43 Ca 0.00 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.60 2jvu n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jvu s VAL 44 N -1.26 2.00 0.30 1.61 1.01 -1.21 -1.67 120.40 121.18 2jvu s VAL 44 Ca 0.00 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 60.72 2jvu s VAL 44 Cb 0.00 -1.73 -0.09 0.00 0.00 0.00 0.00 36.38 34.55 2jvu s VAL 44 CO 0.00 0.55 1.01 -0.94 0.00 0.00 0.00 175.10 175.71 2jvu s SER 45 N 0.38 7.31 -0.10 3.32 1.04 -0.86 -2.21 113.70 122.58 2jvu s SER 45 Ca -0.18 2.04 0.01 0.00 0.48 0.00 0.00 55.95 58.30 2jvu s SER 45 Cb -0.18 -2.60 0.02 0.00 0.10 0.00 0.00 66.02 63.35 2jvu s SER 45 CO 0.08 -0.09 -0.12 0.54 0.98 0.00 0.00 173.24 174.63 2jvu s VAL 46 N -1.35 1.27 0.05 5.02 0.11 -1.02 -3.28 120.40 121.20 2jvu s VAL 46 Ca 0.47 -0.50 0.06 0.00 -2.93 0.00 0.00 61.98 59.08 2jvu s VAL 46 Cb -0.26 -1.19 -0.03 0.00 -1.53 0.00 0.00 36.38 33.38 2jvu s VAL 46 CO 0.32 0.40 -0.17 -0.94 -3.33 0.00 0.00 175.10 171.38 2jvu s SER 47 N 1.08 1.99 -0.07 3.54 1.04 -1.11 -2.63 113.70 117.54 2jvu s SER 47 Ca -0.06 -0.53 -0.22 0.00 0.48 0.00 0.00 55.95 55.63 2jvu s SER 47 Cb -0.15 -0.13 0.05 0.00 0.10 0.00 0.00 66.02 65.89 2jvu s SER 47 CO -0.02 0.06 0.50 -0.83 0.98 0.00 0.00 173.24 173.93 2jvu s GLY 48 N -1.33 -0.37 -0.10 7.32 0.00 -1.19 -2.44 107.32 109.21 2jvu s GLY 48 Ca 0.03 0.98 0.02 0.00 0.00 0.00 0.00 44.72 45.75 2jvu s GLY 48 CO 0.02 0.72 -0.14 0.14 0.00 0.00 0.00 173.10 173.84 2jvu s VAL 49 N -0.87 1.38 -0.23 1.40 1.01 -1.18 -2.87 120.40 119.03 2jvu s VAL 49 Ca -0.09 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.21 2jvu s VAL 49 Cb -0.03 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 2jvu s VAL 49 CO 0.05 0.42 0.14 -0.36 0.00 0.00 0.00 175.10 175.35 2jvu s PHE 50 N 0.95 3.31 -0.19 5.22 0.08 -0.90 -3.97 117.98 122.48 2jvu s PHE 50 Ca -0.08 0.20 -0.15 0.00 0.12 0.00 0.00 56.93 57.02 2jvu s PHE 50 Cb -0.15 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.02 2jvu s PHE 50 CO -0.00 0.08 0.35 0.71 -0.10 0.00 0.00 175.22 176.26 2jvu s TYR 51 N 0.94 3.40 -0.13 0.36 1.51 -1.23 -2.44 117.35 119.76 2jvu s TYR 51 Ca 0.07 0.59 -0.00 0.00 -1.01 0.00 0.00 57.07 56.72 2jvu s TYR 51 Cb -0.13 -2.45 -0.02 0.00 -0.11 0.00 0.00 41.96 39.25 2jvu s TYR 51 CO 0.03 0.08 -0.13 0.71 -1.11 0.00 0.00 175.55 175.13 2jvu s TYR 52 N 1.00 2.81 -0.77 2.71 2.02 -0.79 -2.63 117.35 121.71 2jvu s TYR 52 Ca 0.18 -0.62 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 2jvu s TYR 52 Cb -0.14 -1.84 0.00 0.00 -0.40 0.00 0.00 41.96 39.58 2jvu s TYR 52 CO 0.07 -0.19 0.73 0.09 -1.57 0.00 0.00 175.55 174.68 2jvu n ASN 53 N 3.48 0.00 0.00 2.29 3.02 -1.26 0.02 115.26 122.81 2jvu n ASN 53 Ca -0.18 0.27 0.11 0.00 -0.03 0.00 0.00 54.58 54.74 2jvu n ASN 53 Cb 0.53 -0.27 0.63 0.00 -0.61 0.00 0.00 39.78 40.06 2jvu n ASN 53 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2jvu n ASP 54 N -1.23 0.00 0.00 6.41 -0.08 -1.26 -4.81 116.55 115.58 2jvu n ASP 54 Ca 0.00 -0.78 0.00 0.00 -1.51 0.00 0.00 54.79 52.50 2jvu n ASP 54 Cb 0.14 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.60 2jvu n ASP 54 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jvu n GLY 55 N 0.43 0.46 3.31 0.27 0.00 0.10 -5.03 105.19 104.73 2jvu n GLY 55 Ca 0.16 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 2jvu n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jvu s THR 56 N -2.00 1.88 -0.01 2.61 -4.23 -1.19 -5.01 115.64 107.69 2jvu s THR 56 Ca 0.00 -1.48 0.04 0.00 -1.18 0.00 0.00 61.69 59.07 2jvu s THR 56 Cb 0.00 -1.66 -0.01 0.00 1.34 0.00 0.00 72.50 72.17 2jvu s THR 56 CO 0.00 0.10 -0.13 0.42 -0.54 0.00 0.00 174.62 174.47 2jvu s THR 57 N -0.99 1.06 0.19 3.99 -4.23 -1.26 -1.88 115.64 112.52 2jvu s THR 57 Ca 0.09 -0.60 0.06 0.00 -1.18 0.00 0.00 61.69 60.06 2jvu s THR 57 Cb -0.10 -0.89 -0.04 0.00 1.34 0.00 0.00 72.50 72.81 2jvu s THR 57 CO 0.04 0.28 0.10 -0.94 -0.54 0.00 0.00 174.62 173.56 2jvu s SER 58 N -0.37 5.27 -0.16 3.99 1.04 -1.02 -4.94 113.70 117.51 2jvu s SER 58 Ca 0.05 -0.25 -0.04 0.00 0.48 0.00 0.00 55.95 56.19 2jvu s SER 58 Cb -0.05 -1.29 0.08 0.00 0.10 0.00 0.00 66.02 64.85 2jvu s SER 58 CO -0.00 0.05 0.25 0.54 0.98 0.00 0.00 173.24 175.06 2jvu s ASN 59 N -3.20 0.68 -0.17 7.02 4.22 -1.26 -2.13 114.94 120.09 2jvu s ASN 59 Ca 0.30 0.30 0.01 0.00 -2.14 0.00 0.00 52.86 51.33 2jvu s ASN 59 Cb -0.09 0.61 0.01 0.00 1.28 0.00 0.00 41.25 43.06 2jvu s ASN 59 CO 0.22 -0.27 -0.18 -0.36 -2.04 0.00 0.00 177.10 174.47 2jvu s PHE 60 N 2.40 2.78 0.16 1.54 0.08 -1.14 -5.02 117.98 118.78 2jvu s PHE 60 Ca 0.04 -1.41 0.08 0.00 0.12 0.00 0.00 56.93 55.76 2jvu s PHE 60 Cb -0.13 -1.92 -0.04 0.00 -0.57 0.00 0.00 43.02 40.36 2jvu s PHE 60 CO -0.10 -0.69 -0.07 0.15 -0.10 0.00 0.00 175.22 174.41 2jvu s LYS 61 N 1.15 2.16 0.02 0.44 1.02 -1.26 -3.20 119.74 120.07 2jvu s LYS 61 Ca 0.01 -1.18 -0.19 0.00 0.02 0.00 0.00 55.97 54.63 2jvu s LYS 61 Cb -0.14 -2.24 0.06 0.00 -0.52 0.00 0.00 37.83 35.00 2jvu s LYS 61 CO -0.08 0.45 0.89 0.41 -0.92 0.00 0.00 175.35 176.11 2jvu n GLY 62 N 0.11 0.44 3.20 -3.33 0.00 -1.08 -5.04 105.19 99.50 2jvu n GLY 62 Ca -0.11 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 2jvu n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jvu s VAL 63 N -2.09 2.11 -0.26 1.61 1.01 -1.26 -2.43 120.40 119.09 2jvu s VAL 63 Ca 0.21 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 2jvu s VAL 63 Cb -0.01 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 2jvu s VAL 63 CO 0.01 0.55 0.52 -0.69 0.00 0.00 0.00 175.10 175.48 2jvu s VAL 64 N 0.59 5.07 0.05 2.92 1.01 -0.94 -4.86 120.40 124.25 2jvu s VAL 64 Ca -0.12 0.89 0.02 0.00 0.00 0.00 0.00 61.98 62.77 2jvu s VAL 64 Cb -0.17 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2jvu s VAL 64 CO 0.03 0.09 -0.08 0.42 0.00 0.00 0.00 175.10 175.56 2jvu s THR 65 N 2.27 0.59 -0.70 3.92 -4.23 -1.13 -3.29 115.64 113.07 2jvu s THR 65 Ca 0.21 -1.27 0.01 0.00 -1.18 0.00 0.00 61.69 59.46 2jvu s THR 65 Cb -0.16 -0.85 0.01 0.00 1.34 0.00 0.00 72.50 72.84 2jvu s THR 65 CO 0.09 -0.48 0.88 -0.81 -0.54 0.00 0.00 174.62 173.77 2jvu n PRO 66 N 1.14 0.00 -0.06 3.99 -0.04 -1.26 -1.20 135.00 137.57 2jvu n PRO 66 Ca -0.21 0.37 -0.03 0.00 -0.04 0.00 0.00 63.50 63.60 2jvu n PRO 66 Cb 0.56 -1.65 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 2jvu n PRO 66 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jvu n SER 67 N -1.39 0.76 -3.76 3.54 2.88 -1.26 -4.90 113.62 109.49 2jvu n SER 67 Ca -0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 2jvu n SER 67 Cb 0.14 1.20 -0.16 0.00 -0.75 0.00 0.00 64.21 64.64 2jvu n SER 67 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2jvu s THR 68 N -2.68 0.67 0.58 2.46 -4.23 -0.34 -5.14 115.64 106.96 2jvu s THR 68 Ca -0.08 -0.72 -0.07 0.00 -1.18 0.00 0.00 61.69 59.64 2jvu s THR 68 Cb 0.07 -1.19 -0.01 0.00 1.34 0.00 0.00 72.50 72.72 2jvu s THR 68 CO 0.72 -0.25 0.91 -2.16 -0.54 0.00 0.00 174.62 173.30 2jvu s PRO 69 N 1.78 3.12 -0.12 3.99 0.04 -1.26 -2.86 135.00 139.70 2jvu s PRO 69 Ca -0.00 0.18 0.03 0.00 0.04 0.00 0.00 61.00 61.24 2jvu s PRO 69 Cb -0.17 -2.24 0.01 0.00 0.04 0.00 0.00 34.50 32.13 2jvu s PRO 69 CO -0.10 -0.62 -0.22 0.08 0.04 0.00 0.00 177.00 176.18 2jvu s VAL 70 N -3.00 1.99 -0.17 -0.36 1.01 -1.21 -4.99 120.40 113.67 2jvu s VAL 70 Ca 0.53 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.49 2jvu s VAL 70 Cb -0.11 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2jvu s VAL 70 CO 0.47 0.54 0.03 0.20 0.00 0.00 0.00 175.10 176.34 2jvu s ASN 71 N 0.60 5.36 0.00 3.32 0.01 -1.26 -1.51 114.94 121.46 2jvu s ASN 71 Ca -0.13 0.02 0.21 0.00 -0.71 0.00 0.00 52.86 52.25 2jvu s ASN 71 Cb -0.17 -1.90 0.63 0.00 0.41 0.00 0.00 41.25 40.22 2jvu s ASN 71 CO 0.03 0.18 1.49 1.07 -1.51 0.00 0.00 177.10 178.36 2jvu n THR 72 N 3.49 0.31 0.67 1.60 5.66 -0.85 -4.18 114.28 120.97 2jvu n THR 72 Ca -0.17 -0.47 0.00 0.00 -3.05 0.00 0.00 64.05 60.36 2jvu n THR 72 Cb 0.52 0.54 0.00 0.00 -1.55 0.00 0.00 70.33 69.85 2jvu n THR 72 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2jvu n ASN 73 N 0.68 0.81 0.00 1.09 6.94 -1.23 -4.52 115.26 119.03 2jvu n ASN 73 Ca 0.17 -1.33 0.00 0.00 -0.02 0.00 0.00 54.58 53.40 2jvu n ASN 73 Cb 0.41 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.50 2jvu n ASN 73 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 2jvu n GLN 74 N 0.22 0.00 -3.48 -3.83 -0.06 -1.26 -3.90 117.38 105.08 2jvu n GLN 74 Ca 0.00 0.28 -0.33 0.00 -2.00 0.00 0.00 57.00 54.95 2jvu n GLN 74 Cb 0.18 -0.83 -0.06 0.00 -4.06 0.00 0.00 30.24 25.47 2jvu n GLN 74 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2jvu n ASP 75 N -0.60 4.28 0.04 1.69 8.00 -1.26 -4.86 116.55 123.84 2jvu n ASP 75 Ca 0.00 -3.32 -0.06 0.00 0.71 0.00 0.00 54.79 52.12 2jvu n ASP 75 Cb 0.00 -0.90 0.13 0.00 -0.02 0.00 0.00 41.12 40.33 2jvu n ASP 75 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2jvu h ILE 76 N 3.64 1.33 -0.80 0.53 2.04 -1.88 -2.99 117.51 119.37 2jvu h ILE 76 Ca 0.18 -1.69 0.13 0.00 1.00 0.00 0.00 64.86 64.48 2jvu h ILE 76 Cb 0.71 1.73 -0.09 0.00 -0.74 0.00 0.00 36.82 38.43 2jvu h ILE 76 CO 0.92 0.52 0.39 0.78 0.00 0.00 0.00 178.15 180.76 2jvu h ASN 77 N 0.32 0.47 -0.30 1.72 2.35 -1.92 0.24 115.58 118.45 2jvu h ASN 77 Ca 0.02 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2jvu h ASN 77 Cb 0.96 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.33 2jvu h ASN 77 CO 0.08 0.22 0.13 0.50 -1.65 0.00 0.00 177.43 176.71 2jvu h LYS 78 N 0.59 0.44 -0.33 0.81 3.64 -1.94 -1.77 116.57 118.02 2jvu h LYS 78 Ca 0.42 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2jvu h LYS 78 Cb 0.56 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2jvu h LYS 78 CO -0.34 0.44 0.21 1.15 -2.27 0.00 0.00 179.45 178.64 2jvu h THR 79 N 0.35 1.09 -0.64 1.00 2.02 -0.87 -0.28 112.91 115.59 2jvu h THR 79 Ca 0.10 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 2jvu h THR 79 Cb 0.15 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 2jvu h THR 79 CO -0.01 0.09 0.36 0.78 0.37 0.00 0.00 175.52 177.11 2jvu h ASN 80 N 0.44 0.77 0.01 4.18 2.35 -0.50 3.29 115.58 126.11 2jvu h ASN 80 Ca 0.12 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2jvu h ASN 80 Cb -0.03 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.14 2jvu h ASN 80 CO -0.02 0.61 -0.00 0.50 -1.65 0.00 0.00 177.43 176.86 2jvu h LYS 81 N 0.88 -0.01 0.00 0.81 3.64 -0.57 -3.38 116.57 117.95 2jvu h LYS 81 Ca 0.23 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.50 2jvu h LYS 81 Cb -0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2jvu h LYS 81 CO -0.04 0.31 -1.55 1.55 -2.27 0.00 0.00 179.45 177.46 2jvu n VAL 82 N -4.94 0.42 0.00 2.00 3.14 -0.18 -5.11 118.33 113.65 2jvu n VAL 82 Ca -0.08 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 60.98 2jvu n VAL 82 Cb 0.18 -0.45 0.00 0.00 -1.06 0.00 0.00 33.84 32.50 2jvu n VAL 82 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2jvu n GLY 83 N 2.31 -1.11 3.44 7.55 0.00 1.09 -4.80 105.19 113.68 2jvu n GLY 83 Ca -0.10 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 2jvu n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jvu s VAL 84 N -2.85 4.18 -0.04 1.61 1.01 -1.26 -4.21 120.40 118.85 2jvu s VAL 84 Ca 0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 2jvu s VAL 84 Cb 0.00 -2.94 -0.11 0.00 0.00 0.00 0.00 36.38 33.33 2jvu s VAL 84 CO 0.00 0.36 0.72 -0.61 0.00 0.00 0.00 175.10 175.57 2jvu h GLN 85 N 8.07 -0.43 -6.54 2.72 4.15 -1.86 -3.46 115.11 117.76 2jvu h GLN 85 Ca -0.38 0.03 -0.68 0.00 0.77 0.00 0.00 58.65 58.39 2jvu h GLN 85 Cb 1.17 0.10 -0.20 0.00 0.21 0.00 0.00 27.48 28.76 2jvu h GLN 85 CO 0.59 -0.18 -0.78 0.21 -1.93 0.00 0.00 178.83 176.74 2jvu s LYS 86 N -3.40 2.12 -0.09 1.69 2.20 -1.26 -5.06 119.74 115.93 2jvu s LYS 86 Ca -0.10 -0.97 0.04 0.00 -0.36 0.00 0.00 55.97 54.58 2jvu s LYS 86 Cb 0.01 -2.25 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 2jvu s LYS 86 CO 0.32 0.54 -0.22 -0.47 -0.36 0.00 0.00 175.35 175.16 2jvu s TYR 87 N -1.01 2.35 -0.05 4.03 5.04 -1.26 -3.55 117.35 122.89 2jvu s TYR 87 Ca 0.17 -0.94 -0.01 0.00 -2.44 0.00 0.00 57.07 53.85 2jvu s TYR 87 Cb -0.11 -1.59 0.03 0.00 0.35 0.00 0.00 41.96 40.65 2jvu s TYR 87 CO 0.08 -0.38 0.02 1.03 -1.34 0.00 0.00 175.55 174.95 2jvu s ARG 88 N 0.36 0.34 -0.06 4.97 1.81 -1.25 -5.09 118.95 120.04 2jvu s ARG 88 Ca -0.17 0.19 0.04 0.00 -1.72 0.00 0.00 55.73 54.07 2jvu s ARG 88 Cb -0.17 -0.75 -0.00 0.00 -0.45 0.00 0.00 34.95 33.58 2jvu s ARG 88 CO 0.08 -0.28 -0.19 0.00 -0.68 0.00 0.00 175.30 174.22 2jvu s ALA 89 N 1.87 1.72 -0.10 2.13 0.00 -1.26 -3.12 121.76 123.00 2jvu s ALA 89 Ca 0.02 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.24 2jvu s ALA 89 Cb -0.12 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 2jvu s ALA 89 CO -0.04 0.29 -0.20 -1.17 0.00 0.00 0.00 175.76 174.64 2jvu s LEU 90 N 0.12 2.31 -0.10 0.00 2.96 -1.02 -5.02 118.68 117.92 2jvu s LEU 90 Ca -0.07 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.39 2jvu s LEU 90 Cb -0.13 -1.47 0.02 0.00 0.50 0.00 0.00 46.19 45.10 2jvu s LEU 90 CO 0.04 0.19 -0.11 0.42 -1.32 0.00 0.00 176.35 175.56 2jvu s THR 91 N 0.20 1.18 0.07 3.68 -4.23 -1.26 -2.77 115.64 112.51 2jvu s THR 91 Ca -0.12 -0.44 0.04 0.00 -1.18 0.00 0.00 61.69 59.99 2jvu s THR 91 Cb -0.16 -1.13 -0.03 0.00 1.34 0.00 0.00 72.50 72.52 2jvu s THR 91 CO 0.07 0.38 -0.12 -0.70 -0.54 0.00 0.00 174.62 173.71 2jvu s GLU 92 N 1.19 0.74 0.28 3.99 2.12 -1.21 -4.75 118.70 121.08 2jvu s GLU 92 Ca -0.04 -0.94 -0.29 0.00 0.36 0.00 0.00 54.97 54.05 2jvu s GLU 92 Cb -0.14 -0.61 -0.10 0.00 0.26 0.00 0.00 34.13 33.54 2jvu s GLU 92 CO -0.03 0.12 1.20 -1.58 -0.54 0.00 0.00 175.26 174.43 2jvu s TRP 93 N -1.55 3.35 -0.23 5.30 0.52 -1.26 -2.03 118.94 123.04 2jvu s TRP 93 Ca -0.03 1.53 -0.04 0.00 0.02 0.00 0.00 56.10 57.58 2jvu s TRP 93 Cb -0.09 -3.46 -0.01 0.00 -1.15 0.00 0.00 33.47 28.76 2jvu s TRP 93 CO 0.01 -1.18 -0.02 0.08 0.02 0.00 0.00 176.95 175.87 2jvu s VAL 94 N -0.94 3.51 0.36 4.03 1.01 -0.67 -4.84 120.40 122.86 2jvu s VAL 94 Ca 0.48 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2jvu s VAL 94 Cb -0.35 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2jvu s VAL 94 CO 0.45 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.53 2jvu n GLY 95 N 4.81 -1.10 3.69 4.51 0.00 -1.26 0.24 105.19 116.08 2jvu n GLY 95 Ca -0.18 0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2jvu n GLY 95 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jvu s SER 96 N -3.25 6.97 0.22 1.61 0.15 -1.26 -4.78 113.70 113.37 2jvu s SER 96 Ca 0.00 1.18 -0.07 0.00 0.70 0.00 0.00 55.95 57.76 2jvu s SER 96 Cb 0.00 -2.44 0.18 0.00 -1.71 0.00 0.00 66.02 62.05 2jvu s SER 96 CO 0.00 -0.27 1.81 -0.09 1.20 0.00 0.00 173.24 175.89 2jvu h ARG 97 N 7.10 1.23 0.00 5.44 9.65 -2.01 -3.53 114.38 132.26 2jvu h ARG 97 Ca -0.35 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.34 2jvu h ARG 97 Cb 1.16 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.53 2jvu h ARG 97 CO 0.79 0.95 0.00 0.43 2.80 0.00 0.00 179.97 184.95