#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jvv s ASP 2 N 0.00 3.96 0.31 6.12 -4.77 -1.26 -4.81 116.67 116.22 3jvv s ASP 2 Ca 0.00 -0.15 -0.00 0.00 -3.30 0.00 0.00 52.55 49.10 3jvv s ASP 2 Cb 0.00 -0.13 0.49 0.00 -1.09 0.00 0.00 42.92 42.20 3jvv s ASP 2 CO 0.00 -2.14 1.92 -0.29 0.70 0.00 0.00 175.17 175.37 3jvv h ILE 3 N -0.89 1.20 -0.15 2.11 6.09 -1.99 0.13 117.51 124.02 3jvv h ILE 3 Ca -0.39 -0.53 0.01 0.00 -1.37 0.00 0.00 64.86 62.58 3jvv h ILE 3 Cb 1.26 0.36 -0.02 0.00 0.47 0.00 0.00 36.82 38.90 3jvv h ILE 3 CO 0.40 0.23 0.05 0.74 -3.07 0.00 0.00 178.15 176.49 3jvv h THR 4 N 0.89 0.96 -0.12 2.19 2.02 -1.99 0.98 112.91 117.84 3jvv h THR 4 Ca 0.22 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.37 3jvv h THR 4 Cb 0.06 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3jvv h THR 4 CO -0.03 0.02 0.04 -0.33 0.37 0.00 0.00 175.52 175.59 3jvv h GLU 5 N 0.12 0.10 -0.33 6.66 5.08 -1.62 0.48 114.58 125.07 3jvv h GLU 5 Ca 0.06 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 3jvv h GLU 5 Cb 0.04 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 3jvv h GLU 5 CO -0.07 0.07 -0.11 -0.07 -1.00 0.00 0.00 179.01 177.83 3jvv h LEU 6 N 0.11 -0.40 -0.65 1.33 3.38 -0.48 0.26 115.31 118.86 3jvv h LEU 6 Ca 0.05 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3jvv h LEU 6 Cb 0.02 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3jvv h LEU 6 CO -0.05 -0.15 0.34 -0.07 0.09 0.00 0.00 178.44 178.60 3jvv h LEU 7 N -0.05 0.82 -0.58 1.67 3.38 -0.51 0.15 115.31 120.20 3jvv h LEU 7 Ca 0.16 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3jvv h LEU 7 Cb 0.29 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3jvv h LEU 7 CO -0.37 0.70 0.31 0.00 0.09 0.00 0.00 178.44 179.18 3jvv h ALA 8 N 1.16 0.75 -0.27 1.53 0.00 -0.04 0.44 119.26 122.83 3jvv h ALA 8 Ca 0.23 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3jvv h ALA 8 Cb 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3jvv h ALA 8 CO -0.03 -0.01 0.17 0.35 0.00 0.00 0.00 179.25 179.73 3jvv h PHE 9 N 0.60 0.32 -0.67 0.00 3.04 0.36 0.17 116.94 120.76 3jvv h PHE 9 Ca 0.25 0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.30 3jvv h PHE 9 Cb 0.13 -0.11 -0.07 0.00 2.56 0.00 0.00 35.95 38.46 3jvv h PHE 9 CO -0.08 0.20 0.31 0.77 -2.02 0.00 0.00 178.31 177.48 3jvv h SER 10 N 0.35 0.37 -0.18 0.41 0.02 0.11 0.11 113.55 114.74 3jvv h SER 10 Ca 0.10 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3jvv h SER 10 Cb -0.03 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3jvv h SER 10 CO -0.03 0.21 0.06 0.00 -1.14 0.00 0.00 176.83 175.93 3jvv h ALA 11 N 1.43 0.24 -1.01 3.77 0.00 -0.45 0.55 119.26 123.79 3jvv h ALA 11 Ca 0.33 -0.12 0.23 0.00 0.00 0.00 0.00 54.91 55.35 3jvv h ALA 11 Cb 0.38 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 17.99 3jvv h ALA 11 CO -0.28 -0.15 0.62 -0.22 0.00 0.00 0.00 179.25 179.21 3jvv h LYS 12 N 0.12 0.56 -0.13 0.00 1.63 0.19 0.19 116.57 119.13 3jvv h LYS 12 Ca 0.06 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 3jvv h LYS 12 Cb 0.21 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 3jvv h LYS 12 CO -0.00 0.37 0.00 1.04 -3.45 0.00 0.00 179.45 177.40 3jvv n GLN 13 N -4.76 1.38 -3.14 1.90 1.13 0.30 -4.90 117.38 109.28 3jvv n GLN 13 Ca 0.25 -0.57 -0.23 0.00 -1.94 0.00 0.00 57.00 54.51 3jvv n GLN 13 Cb 0.73 -1.24 0.04 0.00 0.11 0.00 0.00 30.24 29.88 3jvv n GLN 13 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3jvv n GLY 14 N 0.87 -0.52 3.76 1.08 0.00 0.66 -4.98 105.19 106.05 3jvv n GLY 14 Ca 0.10 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 3jvv n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jvv s ALA 15 N -3.18 3.32 0.14 4.61 0.00 0.13 -4.69 121.76 122.08 3jvv s ALA 15 Ca 0.35 0.63 0.03 0.00 0.00 0.00 0.00 51.96 52.98 3jvv s ALA 15 Cb -0.16 -3.22 -0.11 0.00 0.00 0.00 0.00 23.12 19.63 3jvv s ALA 15 CO 0.44 0.16 1.31 0.66 0.00 0.00 0.00 175.76 178.32 3jvv h SER 16 N 3.91 0.18 -4.30 0.00 4.64 -1.47 -3.44 113.55 113.08 3jvv h SER 16 Ca -0.46 -0.17 -0.19 0.00 -0.47 0.00 0.00 61.79 60.50 3jvv h SER 16 Cb 1.20 -0.06 -0.24 0.00 -0.31 0.00 0.00 62.40 62.99 3jvv h SER 16 CO 0.67 1.05 -0.64 -1.81 -0.87 0.00 0.00 176.83 175.23 3jvv s ASP 17 N -6.89 0.04 -0.10 4.97 1.01 -1.24 -0.99 116.67 113.46 3jvv s ASP 17 Ca -0.02 -0.11 0.02 0.00 0.71 0.00 0.00 52.55 53.15 3jvv s ASP 17 Cb 0.10 0.13 -0.01 0.00 1.01 0.00 0.00 42.92 44.14 3jvv s ASP 17 CO 0.83 -0.16 -0.16 -0.22 0.21 0.00 0.00 175.17 175.68 3jvv s LEU 18 N -0.63 2.58 -0.13 1.23 2.96 -0.33 -0.91 118.68 123.46 3jvv s LEU 18 Ca -0.07 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.48 3jvv s LEU 18 Cb -0.04 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 3jvv s LEU 18 CO -0.00 0.21 -0.10 -1.00 -1.32 0.00 0.00 176.35 174.14 3jvv s HIS 19 N 0.10 2.88 -0.06 5.38 3.76 0.12 -0.65 115.29 126.82 3jvv s HIS 19 Ca -0.07 -0.46 -0.00 0.00 -0.15 0.00 0.00 55.06 54.38 3jvv s HIS 19 Cb -0.15 -1.85 -0.03 0.00 1.11 0.00 0.00 32.58 31.65 3jvv s HIS 19 CO 0.05 -0.09 -0.02 -0.51 -0.85 0.00 0.00 174.74 173.32 3jvv s LEU 20 N 0.19 3.44 -0.24 0.89 1.43 0.04 -1.90 118.68 122.53 3jvv s LEU 20 Ca -0.06 0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.04 3jvv s LEU 20 Cb -0.15 -1.83 0.12 0.00 0.03 0.00 0.00 46.19 44.36 3jvv s LEU 20 CO 0.04 0.35 0.46 -0.55 0.23 0.00 0.00 176.35 176.88 3jvv s SER 21 N -1.05 -0.39 0.02 2.29 0.15 -1.26 -0.98 113.70 112.48 3jvv s SER 21 Ca 0.15 0.81 -0.38 0.00 0.70 0.00 0.00 55.95 57.23 3jvv s SER 21 Cb -0.11 1.53 -0.19 0.00 -1.71 0.00 0.00 66.02 65.53 3jvv s SER 21 CO 0.04 -0.26 1.00 0.00 1.20 0.00 0.00 173.24 175.22 3jvv n ALA 22 N 5.40 -3.54 -0.53 5.45 0.00 -0.29 -1.49 120.51 125.50 3jvv n ALA 22 Ca -0.06 0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3jvv n ALA 22 Cb 0.50 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3jvv n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jvv n GLY 23 N 1.55 0.74 3.07 0.00 0.00 0.21 -4.72 105.19 106.04 3jvv n GLY 23 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 3jvv n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jvv s LEU 24 N 0.00 2.29 0.81 0.99 1.43 -0.55 -4.77 118.68 118.87 3jvv s LEU 24 Ca 0.00 -0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 52.19 3jvv s LEU 24 Cb 0.00 0.26 0.08 0.00 0.03 0.00 0.00 46.19 46.56 3jvv s LEU 24 CO 0.00 -0.52 1.12 -2.16 0.23 0.00 0.00 176.35 175.03 3jvv s PRO 25 N -3.12 1.99 0.50 1.29 0.04 -1.26 0.04 135.00 134.48 3jvv s PRO 25 Ca -0.01 0.41 -0.23 0.00 0.04 0.00 0.00 61.00 61.21 3jvv s PRO 25 Cb 0.02 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.57 3jvv s PRO 25 CO -0.07 -1.64 1.34 -2.14 0.04 0.00 0.00 177.00 174.53 3jvv s PRO 26 N -5.32 3.41 0.09 0.56 0.02 -1.26 -4.75 135.00 127.76 3jvv s PRO 26 Ca 0.61 2.20 0.07 0.00 0.02 0.00 0.00 61.00 63.89 3jvv s PRO 26 Cb -0.13 -2.40 -0.03 0.00 0.02 0.00 0.00 34.50 31.95 3jvv s PRO 26 CO 0.52 -0.96 -0.17 -1.64 -0.33 0.00 0.00 177.00 174.42 3jvv s MET 27 N -2.72 0.99 0.05 5.54 -1.94 -0.80 0.11 119.30 120.52 3jvv s MET 27 Ca 0.67 -1.09 0.05 0.00 -1.71 0.00 0.00 55.69 53.61 3jvv s MET 27 Cb -0.39 -1.09 -0.02 0.00 2.01 0.00 0.00 34.83 35.34 3jvv s MET 27 CO 0.48 0.24 -0.14 0.96 -0.01 0.00 0.00 175.02 176.54 3jvv s ILE 28 N -1.36 1.14 -0.24 2.53 -4.36 -0.05 0.14 121.20 118.99 3jvv s ILE 28 Ca 0.03 -1.09 -0.10 0.00 -0.26 0.00 0.00 60.65 59.23 3jvv s ILE 28 Cb -0.09 -1.05 -0.05 0.00 1.25 0.00 0.00 42.46 42.52 3jvv s ILE 28 CO 0.03 -0.05 0.16 -0.60 0.24 0.00 0.00 174.94 174.73 3jvv s ARG 29 N -1.30 4.04 -0.07 0.37 3.52 -0.09 -0.97 118.95 124.45 3jvv s ARG 29 Ca 0.01 -0.28 0.02 0.00 -0.13 0.00 0.00 55.73 55.35 3jvv s ARG 29 Cb -0.08 -3.55 0.01 0.00 -1.56 0.00 0.00 34.95 29.77 3jvv s ARG 29 CO 0.02 0.03 -0.12 0.08 -0.81 0.00 0.00 175.30 174.49 3jvv s VAL 30 N 1.15 1.17 -1.79 7.11 1.01 -0.23 -1.18 120.40 127.64 3jvv s VAL 30 Ca 0.07 -0.49 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 3jvv s VAL 30 Cb -0.14 -1.07 0.19 0.00 0.00 0.00 0.00 36.38 35.37 3jvv s VAL 30 CO 0.05 0.36 0.64 0.47 0.00 0.00 0.00 175.10 176.63 3jvv n ASP 31 N 3.85 -2.23 0.00 3.32 8.00 -1.26 -1.37 116.55 126.85 3jvv n ASP 31 Ca -0.22 -1.15 0.00 0.00 0.71 0.00 0.00 54.79 54.12 3jvv n ASP 31 Cb 0.52 -2.08 0.00 0.00 -0.02 0.00 0.00 41.12 39.54 3jvv n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jvv n GLY 32 N -1.29 3.03 3.77 0.44 0.00 -1.26 -5.04 105.19 104.84 3jvv n GLY 32 Ca 0.07 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 3jvv n GLY 32 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3jvv s ASP 33 N 0.45 6.59 -0.12 1.61 1.01 -0.47 -5.01 116.67 120.73 3jvv s ASP 33 Ca 0.00 0.69 -0.23 0.00 0.71 0.00 0.00 52.55 53.73 3jvv s ASP 33 Cb 0.00 -2.21 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 3jvv s ASP 33 CO 0.00 0.17 0.69 -0.69 0.21 0.00 0.00 175.17 175.55 3jvv s VAL 34 N -0.06 5.02 0.02 -1.27 1.01 -1.26 -1.06 120.40 122.80 3jvv s VAL 34 Ca 0.20 1.39 0.01 0.00 0.00 0.00 0.00 61.98 63.58 3jvv s VAL 34 Cb -0.14 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 3jvv s VAL 34 CO 0.08 0.19 -0.04 -0.13 0.00 0.00 0.00 175.10 175.19 3jvv s ARG 35 N 1.28 0.36 0.19 2.72 0.52 -0.15 -4.94 118.95 118.92 3jvv s ARG 35 Ca 0.35 -0.54 -0.30 0.00 -0.52 0.00 0.00 55.73 54.71 3jvv s ARG 35 Cb -0.17 -0.09 -0.09 0.00 0.52 0.00 0.00 34.95 35.12 3jvv s ARG 35 CO 0.15 0.01 1.39 1.03 0.02 0.00 0.00 175.30 177.90 3jvv s ARG 36 N -1.18 4.32 0.43 3.54 0.52 -1.26 -0.87 118.95 124.45 3jvv s ARG 36 Ca -0.10 2.16 -0.24 0.00 -0.52 0.00 0.00 55.73 57.02 3jvv s ARG 36 Cb -0.08 -3.18 -0.08 0.00 0.52 0.00 0.00 34.95 32.13 3jvv s ARG 36 CO -0.00 -0.38 1.15 0.42 0.02 0.00 0.00 175.30 176.51 3jvv s ILE 37 N 0.44 3.19 -0.84 1.52 1.01 0.12 -4.90 121.20 121.74 3jvv s ILE 37 Ca 0.61 0.94 -0.23 0.00 0.00 0.00 0.00 60.65 61.97 3jvv s ILE 37 Cb -0.39 -3.50 -0.16 0.00 0.01 0.00 0.00 42.46 38.42 3jvv s ILE 37 CO 0.37 0.03 1.90 -3.20 0.00 0.00 0.00 174.94 174.05 3jvv n ASN 38 N -0.19 2.54 -4.11 3.58 5.15 -1.26 -4.65 115.26 116.31 3jvv n ASN 38 Ca 0.06 -2.67 -0.09 0.00 -0.60 0.00 0.00 54.58 51.28 3jvv n ASN 38 Cb 0.47 -1.27 -0.10 0.00 -0.53 0.00 0.00 39.78 38.36 3jvv n ASN 38 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3jvv s LEU 39 N 4.49 1.88 0.81 1.20 1.43 -1.26 -5.13 118.68 122.10 3jvv s LEU 39 Ca 0.62 -1.11 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 3jvv s LEU 39 Cb 0.09 0.37 0.08 0.00 0.03 0.00 0.00 46.19 46.76 3jvv s LEU 39 CO 0.15 -0.71 1.14 -2.84 0.23 0.00 0.00 176.35 174.32 3jvv s PRO 40 N -4.00 1.79 0.55 1.29 0.02 -1.26 -4.67 135.00 128.72 3jvv s PRO 40 Ca 0.18 1.46 -0.22 0.00 0.02 0.00 0.00 61.00 62.45 3jvv s PRO 40 Cb 0.07 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.72 3jvv s PRO 40 CO -0.02 -2.04 1.35 -2.30 -0.33 0.00 0.00 177.00 173.67 3jvv n PRO 41 N -3.54 1.68 -3.73 5.54 -0.02 -1.26 -4.12 135.00 129.55 3jvv n PRO 41 Ca 0.11 0.62 -0.37 0.00 -2.02 0.00 0.00 63.50 61.84 3jvv n PRO 41 Cb 0.52 -2.57 -0.11 0.00 -0.02 0.00 0.00 33.50 31.32 3jvv n PRO 41 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3jvv s LEU 42 N -3.39 3.78 0.52 2.45 1.43 0.11 -4.81 118.68 118.77 3jvv s LEU 42 Ca 0.72 -0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 53.69 3jvv s LEU 42 Cb -0.42 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 3jvv s LEU 42 CO 0.49 0.01 0.86 -1.61 0.23 0.00 0.00 176.35 176.33 3jvv s GLU 43 N 1.39 3.57 0.27 1.70 0.41 -1.26 0.65 118.70 125.43 3jvv s GLU 43 Ca 0.06 0.38 -0.04 0.00 -0.41 0.00 0.00 54.97 54.96 3jvv s GLU 43 Cb -0.15 -2.28 0.53 0.00 -1.78 0.00 0.00 34.13 30.45 3jvv s GLU 43 CO 0.06 -0.32 1.45 1.58 -0.49 0.00 0.00 175.26 177.54 3jvv n HIS 44 N -2.39 0.43 -0.25 1.61 -0.00 -1.26 -0.08 115.22 113.27 3jvv n HIS 44 Ca 0.02 1.12 -0.04 0.00 -0.00 0.00 0.00 57.72 58.83 3jvv n HIS 44 Cb 0.55 -1.09 0.07 0.00 -0.00 0.00 0.00 29.99 29.51 3jvv n HIS 44 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 3jvv h LYS 45 N 0.00 0.90 0.03 1.57 1.79 -1.96 0.36 116.57 119.26 3jvv h LYS 45 Ca 0.49 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.90 3jvv h LYS 45 Cb 0.85 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 3jvv h LYS 45 CO -0.92 0.60 -0.01 1.96 -1.08 0.00 0.00 179.45 179.99 3jvv h GLN 46 N 0.93 -0.03 -0.58 3.15 4.20 -0.86 -0.25 115.11 121.67 3jvv h GLN 46 Ca 0.27 0.00 0.09 0.00 0.06 0.00 0.00 58.65 59.07 3jvv h GLN 46 Cb -0.06 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.66 3jvv h GLN 46 CO -0.08 0.49 0.22 0.28 -0.67 0.00 0.00 178.83 179.07 3jvv h VAL 47 N -0.58 0.79 -0.38 -0.54 2.07 -1.06 0.11 116.25 116.66 3jvv h VAL 47 Ca -0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3jvv h VAL 47 Cb 0.54 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3jvv h VAL 47 CO 0.01 0.07 0.21 -0.74 0.02 0.00 0.00 177.57 177.14 3jvv h HIS 48 N 0.40 0.53 0.03 1.57 -0.00 -0.14 -1.61 115.15 115.92 3jvv h HIS 48 Ca 0.29 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.67 3jvv h HIS 48 Cb 0.34 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.56 3jvv h HIS 48 CO -0.17 0.41 -0.15 0.00 -0.00 0.00 0.00 177.93 178.03 3jvv h ALA 49 N 1.07 -0.20 -0.88 5.26 0.00 -0.41 0.35 119.26 124.45 3jvv h ALA 49 Ca 0.13 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.23 3jvv h ALA 49 Cb 0.06 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 17.99 3jvv h ALA 49 CO -0.02 -0.65 0.42 -0.07 0.00 0.00 0.00 179.25 178.93 3jvv h LEU 50 N -0.26 0.44 0.07 0.00 3.38 -0.31 0.45 115.31 119.08 3jvv h LEU 50 Ca 0.04 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3jvv h LEU 50 Cb 0.31 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3jvv h LEU 50 CO -0.12 0.11 -0.03 0.40 0.09 0.00 0.00 178.44 178.88 3jvv h ILE 51 N 0.52 1.20 -0.73 1.22 2.04 -0.98 -3.30 117.51 117.48 3jvv h ILE 51 Ca 0.52 -1.43 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 3jvv h ILE 51 Cb 0.87 2.06 -0.04 0.00 -0.74 0.00 0.00 36.82 38.97 3jvv h ILE 51 CO -0.45 0.33 0.42 0.22 0.00 0.00 0.00 178.15 178.67 3jvv h TYR 52 N -0.80 0.97 -0.85 1.37 3.20 0.40 -1.74 116.97 119.53 3jvv h TYR 52 Ca -0.01 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.89 3jvv h TYR 52 Cb 0.61 -0.32 -0.05 0.00 1.54 0.00 0.00 36.73 38.51 3jvv h TYR 52 CO 0.13 0.66 0.54 -0.44 -1.64 0.00 0.00 178.16 177.41 3jvv h ASP 53 N 1.01 0.88 -0.39 -2.11 3.32 -1.07 -2.84 116.42 115.22 3jvv h ASP 53 Ca 0.26 -0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.16 3jvv h ASP 53 Cb -0.01 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3jvv h ASP 53 CO -0.05 0.60 -0.33 0.40 -1.72 0.00 0.00 179.24 178.15 3jvv h ILE 54 N 1.03 1.28 -3.86 0.35 2.04 -1.41 -3.46 117.51 113.49 3jvv h ILE 54 Ca 0.34 -1.50 -0.56 0.00 1.00 0.00 0.00 64.86 64.15 3jvv h ILE 54 Cb 0.04 1.36 0.16 0.00 -0.74 0.00 0.00 36.82 37.65 3jvv h ILE 54 CO -0.13 0.50 0.31 0.23 0.00 0.00 0.00 178.15 179.06 3jvv n MET 55 N -4.11 0.94 -2.41 2.37 2.81 -0.92 -5.03 117.12 110.77 3jvv n MET 55 Ca -0.02 0.37 -0.24 0.00 -1.81 0.00 0.00 57.70 56.00 3jvv n MET 55 Cb 0.51 -2.35 0.09 0.00 -0.71 0.00 0.00 33.22 30.76 3jvv n MET 55 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3jvv s ASN 56 N -1.37 4.53 0.24 7.83 2.20 -1.26 -4.85 114.94 122.26 3jvv s ASN 56 Ca 0.79 0.01 -0.06 0.00 -0.94 0.00 0.00 52.86 52.66 3jvv s ASN 56 Cb -0.39 -0.53 0.25 0.00 -2.00 0.00 0.00 41.25 38.58 3jvv s ASN 56 CO 0.44 -1.74 1.89 0.44 -2.94 0.00 0.00 177.10 175.19 3jvv h ASP 57 N -0.55 1.13 -0.05 3.54 3.32 -1.97 0.20 116.42 122.04 3jvv h ASP 57 Ca -0.41 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 3jvv h ASP 57 Cb 1.28 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.55 3jvv h ASP 57 CO 0.48 0.87 0.02 0.50 -1.72 0.00 0.00 179.24 179.39 3jvv h LYS 58 N 1.29 0.07 -0.80 3.56 3.64 -1.99 -0.13 116.57 122.21 3jvv h LYS 58 Ca 0.34 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.77 3jvv h LYS 58 Cb -0.05 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.70 3jvv h LYS 58 CO -0.06 0.17 0.48 1.96 -2.27 0.00 0.00 179.45 179.73 3jvv h GLN 59 N -0.05 0.85 -0.43 1.90 4.20 -1.74 0.49 115.11 120.33 3jvv h GLN 59 Ca 0.02 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.69 3jvv h GLN 59 Cb 0.13 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 3jvv h GLN 59 CO -0.00 0.56 0.26 0.00 -0.67 0.00 0.00 178.83 178.98 3jvv h ARG 60 N 0.88 0.51 -0.05 1.46 3.08 -0.42 0.17 114.38 120.00 3jvv h ARG 60 Ca 0.35 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.37 3jvv h ARG 60 Cb 0.18 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3jvv h ARG 60 CO -0.18 0.34 0.01 0.87 -1.07 0.00 0.00 179.97 179.94 3jvv h LYS 61 N 0.52 0.08 -0.24 0.04 1.57 0.93 0.48 116.57 119.94 3jvv h LYS 61 Ca 0.17 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 3jvv h LYS 61 Cb -0.01 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.22 3jvv h LYS 61 CO -0.07 0.28 -0.33 -0.44 -0.57 0.00 0.00 179.45 178.32 3jvv h ASP 62 N -0.14 -1.06 -0.29 0.86 3.32 -0.01 0.76 116.42 119.87 3jvv h ASP 62 Ca 0.02 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3jvv h ASP 62 Cb 0.24 0.47 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 3jvv h ASP 62 CO 0.00 -0.35 0.19 0.15 -1.72 0.00 0.00 179.24 177.51 3jvv h PHE 63 N -0.34 0.35 -0.70 4.55 3.04 -0.36 0.34 116.94 123.82 3jvv h PHE 63 Ca 0.12 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.01 3jvv h PHE 63 Cb 0.55 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.91 3jvv h PHE 63 CO -0.47 0.22 0.17 1.49 -2.02 0.00 0.00 178.31 177.70 3jvv h GLU 64 N 0.38 1.12 0.07 1.11 4.81 0.27 0.25 114.58 122.60 3jvv h GLU 64 Ca 0.11 -0.27 -0.35 0.00 -0.13 0.00 0.00 59.36 58.72 3jvv h GLU 64 Cb -0.04 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 3jvv h GLU 64 CO -0.03 0.99 -2.02 -0.85 -0.73 0.00 0.00 179.01 176.36 3jvv n GLU 65 N -4.23 0.71 0.00 1.92 0.28 0.23 -4.15 120.64 115.40 3jvv n GLU 65 Ca 0.05 0.24 0.13 0.00 -0.16 0.00 0.00 57.16 57.42 3jvv n GLU 65 Cb 0.26 -1.69 0.41 0.00 1.43 0.00 0.00 31.44 31.85 3jvv n GLU 65 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3jvv n PHE 66 N -3.31 0.00 -0.45 -1.84 3.72 0.12 -4.95 117.46 110.75 3jvv n PHE 66 Ca -0.31 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.09 3jvv n PHE 66 Cb 1.05 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 3jvv n PHE 66 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3jvv n LEU 67 N -1.34 0.13 -3.47 4.37 4.77 0.88 -4.93 117.00 117.42 3jvv n LEU 67 Ca 0.08 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.94 3jvv n LEU 67 Cb 0.33 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 3jvv n LEU 67 CO 0.30 -0.07 0.51 -1.83 -1.33 0.00 0.00 177.39 174.98 3jvv s GLU 68 N -0.13 1.06 0.14 3.23 -1.05 -1.22 -3.67 118.70 117.06 3jvv s GLU 68 Ca 0.00 -0.22 -0.25 0.00 -0.15 0.00 0.00 54.97 54.35 3jvv s GLU 68 Cb 0.00 0.49 0.07 0.00 -0.44 0.00 0.00 34.13 34.25 3jvv s GLU 68 CO 0.00 -0.43 0.94 -0.08 0.95 0.00 0.00 175.26 176.64 3jvv s THR 69 N -2.82 0.00 0.05 1.83 -1.32 -0.79 -4.43 115.64 108.16 3jvv s THR 69 Ca -0.01 -0.60 0.06 0.00 -1.21 0.00 0.00 61.69 59.94 3jvv s THR 69 Cb -0.01 -1.88 -0.02 0.00 -1.51 0.00 0.00 72.50 69.08 3jvv s THR 69 CO -0.06 0.00 -0.18 -1.81 -2.21 0.00 0.00 174.62 170.36 3jvv s ASP 70 N -2.89 2.14 0.11 8.08 1.11 -1.26 -1.23 116.67 122.73 3jvv s ASP 70 Ca 0.11 -0.52 -0.26 0.00 0.18 0.00 0.00 52.55 52.07 3jvv s ASP 70 Cb -0.01 -0.15 0.07 0.00 1.07 0.00 0.00 42.92 43.90 3jvv s ASP 70 CO 0.01 0.09 0.93 0.72 1.18 0.00 0.00 175.17 178.10 3jvv s PHE 71 N -0.87 -0.20 0.09 4.23 -0.12 -0.19 -5.01 117.98 115.91 3jvv s PHE 71 Ca 0.05 -0.06 0.00 0.00 -0.05 0.00 0.00 56.93 56.87 3jvv s PHE 71 Cb -0.09 0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 42.88 3jvv s PHE 71 CO 0.02 -0.75 0.24 -1.54 -0.05 0.00 0.00 175.22 173.13 3jvv s SER 72 N -2.82 6.36 -0.02 1.98 1.04 -1.26 0.47 113.70 119.45 3jvv s SER 72 Ca 0.10 0.26 -0.04 0.00 0.48 0.00 0.00 55.95 56.75 3jvv s SER 72 Cb -0.01 -1.95 0.00 0.00 0.10 0.00 0.00 66.02 64.16 3jvv s SER 72 CO -0.01 0.13 0.10 0.12 0.98 0.00 0.00 173.24 174.56 3jvv s PHE 73 N -1.58 -0.02 -0.04 5.02 5.36 0.08 -4.90 117.98 121.90 3jvv s PHE 73 Ca 0.35 0.06 0.04 0.00 -0.96 0.00 0.00 56.93 56.42 3jvv s PHE 73 Cb -0.12 -0.02 -0.00 0.00 -0.34 0.00 0.00 43.02 42.54 3jvv s PHE 73 CO 0.28 -0.14 -0.16 -2.00 -1.46 0.00 0.00 175.22 171.74 3jvv s GLU 74 N -0.55 1.63 -0.48 10.12 2.12 -1.26 0.06 118.70 130.33 3jvv s GLU 74 Ca -0.06 -0.58 -0.05 0.00 0.36 0.00 0.00 54.97 54.64 3jvv s GLU 74 Cb -0.04 -1.45 0.13 0.00 0.26 0.00 0.00 34.13 33.03 3jvv s GLU 74 CO 0.00 0.25 0.31 0.08 -0.54 0.00 0.00 175.26 175.37 3jvv s VAL 75 N -0.03 3.68 -0.06 3.70 1.01 -0.21 -5.02 120.40 123.47 3jvv s VAL 75 Ca -0.02 -2.19 -0.39 0.00 0.00 0.00 0.00 61.98 59.38 3jvv s VAL 75 Cb -0.10 -3.46 -0.18 0.00 0.00 0.00 0.00 36.38 32.64 3jvv s VAL 75 CO 0.01 -0.76 1.37 -2.65 0.00 0.00 0.00 175.10 173.07 3jvv n PRO 76 N 4.42 0.73 -0.58 2.72 -0.02 -1.26 -0.36 135.00 140.65 3jvv n PRO 76 Ca -0.01 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3jvv n PRO 76 Cb 0.41 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3jvv n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3jvv n GLY 77 N 2.71 1.50 0.91 -1.23 0.00 -1.26 -4.84 105.19 102.99 3jvv n GLY 77 Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.23 3jvv n GLY 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3jvv n VAL 78 N -2.00 0.37 -3.78 1.61 0.31 0.52 -5.16 118.33 110.20 3jvv n VAL 78 Ca 0.00 0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 3jvv n VAL 78 Cb 0.00 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 3jvv n VAL 78 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3jvv s ALA 79 N -2.11 -2.10 0.16 3.52 0.00 -1.03 -5.02 121.76 115.18 3jvv s ALA 79 Ca -0.01 0.26 0.07 0.00 0.00 0.00 0.00 51.96 52.27 3jvv s ALA 79 Cb 0.00 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 3jvv s ALA 79 CO 0.01 -1.08 0.03 1.03 0.00 0.00 0.00 175.76 175.75 3jvv s ARG 80 N -2.40 2.51 0.03 0.00 0.52 -1.26 -1.05 118.95 117.30 3jvv s ARG 80 Ca 0.19 -1.03 0.02 0.00 -0.52 0.00 0.00 55.73 54.39 3jvv s ARG 80 Cb 0.01 -2.43 -0.02 0.00 0.52 0.00 0.00 34.95 33.03 3jvv s ARG 80 CO -0.01 0.47 -0.06 -0.06 0.02 0.00 0.00 175.30 175.67 3jvv s PHE 81 N -1.69 0.51 -0.18 -0.53 0.08 0.11 -0.70 117.98 115.58 3jvv s PHE 81 Ca 0.28 -0.39 -0.17 0.00 0.12 0.00 0.00 56.93 56.77 3jvv s PHE 81 Cb -0.10 -0.32 -0.04 0.00 -0.57 0.00 0.00 43.02 42.00 3jvv s PHE 81 CO 0.19 -0.08 0.43 0.50 -0.10 0.00 0.00 175.22 176.16 3jvv s ARG 82 N -1.18 4.21 -0.11 0.44 3.52 0.20 -0.74 118.95 125.30 3jvv s ARG 82 Ca -0.08 0.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 3jvv s ARG 82 Cb -0.08 -3.52 -0.02 0.00 -1.56 0.00 0.00 34.95 29.77 3jvv s ARG 82 CO -0.00 -0.01 -0.12 0.08 -0.81 0.00 0.00 175.30 174.44 3jvv s VAL 83 N 1.20 3.19 -0.08 7.11 1.01 0.18 -0.58 120.40 132.43 3jvv s VAL 83 Ca 0.21 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.60 3jvv s VAL 83 Cb -0.15 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 3jvv s VAL 83 CO 0.08 0.54 -0.23 0.21 0.00 0.00 0.00 175.10 175.71 3jvv s ASN 84 N 0.01 3.24 0.02 3.32 3.84 -0.62 -1.03 114.94 123.72 3jvv s ASN 84 Ca -0.03 -0.48 0.08 0.00 0.21 0.00 0.00 52.86 52.63 3jvv s ASN 84 Cb -0.14 -1.07 -0.02 0.00 -0.55 0.00 0.00 41.25 39.47 3jvv s ASN 84 CO 0.04 0.22 -0.24 0.00 -2.79 0.00 0.00 177.10 174.33 3jvv s ALA 85 N -0.02 2.04 0.27 1.71 0.00 -0.37 -0.98 121.76 124.40 3jvv s ALA 85 Ca -0.07 -1.13 -0.21 0.00 0.00 0.00 0.00 51.96 50.55 3jvv s ALA 85 Cb -0.15 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.56 3jvv s ALA 85 CO 0.05 0.48 0.82 -0.59 0.00 0.00 0.00 175.76 176.52 3jvv s PHE 86 N -0.71 -0.08 0.01 0.00 -0.71 -0.26 -1.88 117.98 114.35 3jvv s PHE 86 Ca 0.10 -0.39 0.05 0.00 -1.04 0.00 0.00 56.93 55.65 3jvv s PHE 86 Cb -0.09 0.72 -0.03 0.00 -1.21 0.00 0.00 43.02 42.41 3jvv s PHE 86 CO 0.01 -1.19 -0.15 -0.80 -1.34 0.00 0.00 175.22 171.75 3jvv s ASN 87 N -3.00 4.03 0.23 1.98 -0.87 -1.24 -0.57 114.94 115.50 3jvv s ASN 87 Ca 0.13 -0.30 -0.06 0.00 -1.57 0.00 0.00 52.86 51.07 3jvv s ASN 87 Cb -0.04 -0.78 -0.02 0.00 -0.02 0.00 0.00 41.25 40.39 3jvv s ASN 87 CO 0.07 0.29 0.29 0.00 -2.57 0.00 0.00 177.10 175.18 3jvv s GLN 88 N -1.21 1.39 0.44 -0.60 1.03 0.29 -4.93 119.66 116.07 3jvv s GLN 88 Ca 0.14 -1.49 0.29 0.00 0.04 0.00 0.00 55.36 54.34 3jvv s GLN 88 Cb -0.11 0.36 1.38 0.00 0.03 0.00 0.00 33.01 34.67 3jvv s GLN 88 CO 0.04 -0.52 1.66 -0.97 -2.54 0.00 0.00 175.29 172.97 3jvv h ASN 89 N 2.44 0.26 0.70 12.60 -1.24 -1.98 0.81 115.58 129.16 3jvv h ASN 89 Ca -0.31 0.11 0.00 0.00 0.71 0.00 0.00 56.30 56.81 3jvv h ASN 89 Cb 1.25 0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.39 3jvv h ASN 89 CO 0.45 -0.10 -0.45 0.54 -1.29 0.00 0.00 177.43 176.58 3jvv n ARG 90 N -4.61 0.09 0.00 6.67 1.74 -1.26 -5.06 116.66 114.22 3jvv n ARG 90 Ca 0.34 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 3jvv n ARG 90 Cb 1.33 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 31.21 3jvv n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jvv n GLY 91 N 1.45 0.34 3.85 -0.13 0.00 0.28 -4.61 105.19 106.38 3jvv n GLY 91 Ca 0.05 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.30 3jvv n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jvv s ALA 92 N -1.29 2.99 0.18 4.61 0.00 -1.26 0.10 121.76 127.10 3jvv s ALA 92 Ca 0.00 0.04 -0.15 0.00 0.00 0.00 0.00 51.96 51.85 3jvv s ALA 92 Cb 0.00 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 20.02 3jvv s ALA 92 CO 0.00 -0.68 0.45 0.20 0.00 0.00 0.00 175.76 175.73 3jvv s GLY 93 N -3.73 0.05 0.13 0.00 0.00 0.26 -1.13 107.32 102.89 3jvv s GLY 93 Ca 0.57 -0.39 -0.16 0.00 0.00 0.00 0.00 44.72 44.74 3jvv s GLY 93 CO 0.47 -0.42 0.41 0.00 0.00 0.00 0.00 173.10 173.57 3jvv s ALA 94 N -3.89 -0.96 -0.09 3.20 0.00 -0.16 -1.10 121.76 118.76 3jvv s ALA 94 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 3jvv s ALA 94 Cb 0.00 0.71 0.03 0.00 0.00 0.00 0.00 23.12 23.86 3jvv s ALA 94 CO -0.03 -0.65 -0.01 0.08 0.00 0.00 0.00 175.76 175.15 3jvv s VAL 95 N -3.80 0.48 -0.42 0.00 1.01 -0.15 -0.78 120.40 116.73 3jvv s VAL 95 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 3jvv s VAL 95 Cb 0.02 -0.65 0.06 0.00 0.00 0.00 0.00 36.38 35.80 3jvv s VAL 95 CO -0.12 0.23 0.28 -0.36 0.00 0.00 0.00 175.10 175.13 3jvv s PHE 96 N 1.92 3.28 -0.25 5.22 0.08 0.18 -1.60 117.98 126.82 3jvv s PHE 96 Ca 0.04 -1.12 -0.11 0.00 0.12 0.00 0.00 56.93 55.87 3jvv s PHE 96 Cb -0.13 -2.81 -0.05 0.00 -0.57 0.00 0.00 43.02 39.46 3jvv s PHE 96 CO -0.06 -0.75 0.18 1.03 -0.10 0.00 0.00 175.22 175.51 3jvv s ARG 97 N 1.54 4.04 0.22 0.44 0.52 0.26 -1.18 118.95 124.79 3jvv s ARG 97 Ca 0.03 -0.27 -0.30 0.00 -0.52 0.00 0.00 55.73 54.67 3jvv s ARG 97 Cb -0.22 -3.57 -0.09 0.00 0.52 0.00 0.00 34.95 31.59 3jvv s ARG 97 CO 0.05 -0.00 1.28 0.95 0.02 0.00 0.00 175.30 177.60 3jvv s THR 98 N 1.25 3.20 -0.18 0.02 -4.23 -0.16 -0.63 115.64 114.90 3jvv s THR 98 Ca 0.08 1.03 -0.18 0.00 -1.18 0.00 0.00 61.69 61.43 3jvv s THR 98 Cb -0.14 -3.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.01 3jvv s THR 98 CO 0.06 0.17 0.50 -0.63 -0.54 0.00 0.00 174.62 174.18 3jvv s ILE 99 N -0.15 5.13 0.31 2.99 1.01 0.13 -4.87 121.20 125.75 3jvv s ILE 99 Ca 0.54 0.93 -0.29 0.00 0.00 0.00 0.00 60.65 61.83 3jvv s ILE 99 Cb -0.36 -3.83 -0.11 0.00 0.01 0.00 0.00 42.46 38.18 3jvv s ILE 99 CO 0.40 0.21 1.48 -2.16 0.00 0.00 0.00 174.94 174.87 3jvv s PRO 100 N 1.41 4.20 -0.05 2.79 0.04 -1.26 -4.46 135.00 137.68 3jvv s PRO 100 Ca 0.24 2.44 -0.04 0.00 0.04 0.00 0.00 61.00 63.68 3jvv s PRO 100 Cb -0.15 -3.04 -0.01 0.00 0.04 0.00 0.00 34.50 31.33 3jvv s PRO 100 CO 0.10 -0.48 -0.08 0.45 0.04 0.00 0.00 177.00 177.03 3jvv n SER 101 N 1.60 0.52 -4.78 6.66 2.88 -1.26 -4.39 113.62 114.85 3jvv n SER 101 Ca 0.05 0.18 -0.38 0.00 -1.33 0.00 0.00 58.87 57.40 3jvv n SER 101 Cb 0.39 -0.58 -0.05 0.00 -0.75 0.00 0.00 64.21 63.23 3jvv n SER 101 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 3jvv s LYS 102 N -1.46 4.40 -0.03 -1.46 -2.85 -1.26 -4.61 119.74 112.46 3jvv s LYS 102 Ca -0.07 1.53 -0.16 0.00 -1.00 0.00 0.00 55.97 56.27 3jvv s LYS 102 Cb 0.01 -2.77 -0.05 0.00 -2.06 0.00 0.00 37.83 32.95 3jvv s LYS 102 CO 0.10 0.07 0.43 0.14 0.10 0.00 0.00 175.35 176.18 3jvv s VAL 103 N -1.52 5.06 -0.09 1.79 -7.23 -1.26 -5.06 120.40 112.09 3jvv s VAL 103 Ca 0.52 0.88 -0.11 0.00 -1.81 0.00 0.00 61.98 61.46 3jvv s VAL 103 Cb -0.23 -3.75 -0.05 0.00 0.56 0.00 0.00 36.38 32.91 3jvv s VAL 103 CO 0.30 0.50 0.26 -0.76 -0.31 0.00 0.00 175.10 175.08 3jvv s LEU 104 N -0.56 4.39 0.61 1.32 1.43 -1.26 -5.07 118.68 119.53 3jvv s LEU 104 Ca 0.24 0.63 -0.10 0.00 -1.03 0.00 0.00 54.13 53.87 3jvv s LEU 104 Cb -0.16 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 3jvv s LEU 104 CO 0.12 0.32 1.01 0.42 0.23 0.00 0.00 176.35 178.45 3jvv s THR 105 N -0.74 4.70 0.25 5.49 -4.23 -1.26 -4.15 115.64 115.71 3jvv s THR 105 Ca 0.18 0.80 -0.03 0.00 -1.18 0.00 0.00 61.69 61.47 3jvv s THR 105 Cb -0.14 -3.86 0.23 0.00 1.34 0.00 0.00 72.50 70.08 3jvv s THR 105 CO 0.07 -1.11 1.72 0.24 -0.54 0.00 0.00 174.62 175.00 3jvv h MET 106 N -0.27 0.40 0.02 3.99 2.86 -1.90 0.00 114.93 120.04 3jvv h MET 106 Ca -0.44 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.17 3jvv h MET 106 Cb 1.19 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.76 3jvv h MET 106 CO 0.62 0.27 -0.01 1.49 1.06 0.00 0.00 176.91 180.34 3jvv h GLU 107 N 0.42 -0.03 -0.87 1.72 4.81 -1.93 0.26 114.58 118.96 3jvv h GLU 107 Ca 0.44 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.87 3jvv h GLU 107 Cb 0.72 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.04 3jvv h GLU 107 CO -0.44 0.12 0.58 0.93 -0.73 0.00 0.00 179.01 179.46 3jvv h GLU 108 N -0.17 0.38 -0.01 1.92 5.08 -1.73 0.99 114.58 121.03 3jvv h GLU 108 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3jvv h GLU 108 Cb 0.16 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3jvv h GLU 108 CO 0.01 0.25 -0.07 1.28 -1.00 0.00 0.00 179.01 179.48 3jvv n LEU 109 N -4.49 1.44 -2.26 1.33 4.77 -0.08 -4.95 117.00 112.76 3jvv n LEU 109 Ca 0.18 -0.46 -0.17 0.00 -0.03 0.00 0.00 56.01 55.53 3jvv n LEU 109 Cb 0.67 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.75 3jvv n LEU 109 CO 0.31 0.25 -0.04 0.61 -1.33 0.00 0.00 177.39 177.19 3jvv n GLY 110 N 1.23 -0.25 3.70 -0.72 0.00 0.34 -4.99 105.19 104.49 3jvv n GLY 110 Ca 0.17 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3jvv n GLY 110 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3jvv s MET 111 N -5.30 4.29 0.69 1.61 -1.94 0.65 -5.01 119.30 114.30 3jvv s MET 111 Ca 0.18 0.49 0.01 0.00 -1.71 0.00 0.00 55.69 54.66 3jvv s MET 111 Cb -0.08 -3.49 0.12 0.00 2.01 0.00 0.00 34.83 33.38 3jvv s MET 111 CO 0.23 0.01 0.96 0.20 -0.01 0.00 0.00 175.02 176.40 3jvv s GLY 112 N 0.87 1.76 0.51 -0.03 0.00 -1.26 -4.50 107.32 104.68 3jvv s GLY 112 Ca 0.27 -1.75 0.38 0.00 0.00 0.00 0.00 44.72 43.62 3jvv s GLY 112 CO 0.11 -1.21 1.68 0.83 0.00 0.00 0.00 173.10 174.51 3jvv h GLU 113 N -0.41 0.05 -0.98 2.90 4.39 -2.00 0.67 114.58 119.20 3jvv h GLU 113 Ca -0.36 -0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.49 3jvv h GLU 113 Cb 1.27 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.81 3jvv h GLU 113 CO 0.41 0.04 0.60 -0.24 -1.16 0.00 0.00 179.01 178.65 3jvv h VAL 114 N 0.05 0.80 -0.35 3.13 3.04 -1.93 0.29 116.25 121.28 3jvv h VAL 114 Ca 0.75 -0.29 -0.06 0.00 -1.01 0.00 0.00 66.70 66.10 3jvv h VAL 114 Cb 2.79 -0.12 -0.02 0.00 -2.01 0.00 0.00 31.29 31.93 3jvv h VAL 114 CO -0.13 0.15 -0.02 -0.26 -1.01 0.00 0.00 177.57 176.30 3jvv h PHE 115 N 0.84 0.58 -0.13 3.17 -1.00 -1.21 0.54 116.94 119.72 3jvv h PHE 115 Ca 0.53 -0.07 -0.04 0.00 2.81 0.00 0.00 57.97 61.20 3jvv h PHE 115 Cb 0.70 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 40.09 3jvv h PHE 115 CO -0.02 0.58 -0.09 0.87 -1.61 0.00 0.00 178.31 178.04 3jvv h LYS 116 N 0.53 0.29 -0.61 1.51 1.57 -0.66 0.18 116.57 119.36 3jvv h LYS 116 Ca 0.11 -0.14 0.10 0.00 -1.87 0.00 0.00 60.65 58.86 3jvv h LYS 116 Cb 0.37 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.60 3jvv h LYS 116 CO 0.01 0.65 0.20 0.00 -0.57 0.00 0.00 179.45 179.75 3jvv h ARG 117 N -0.08 0.35 -0.15 3.15 3.08 -0.44 0.56 114.38 120.87 3jvv h ARG 117 Ca 0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3jvv h ARG 117 Cb 0.58 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3jvv h ARG 117 CO 0.02 0.23 0.04 0.28 -1.07 0.00 0.00 179.97 179.48 3jvv h VAL 118 N 0.36 1.19 -0.73 2.04 2.07 -0.64 -1.89 116.25 118.65 3jvv h VAL 118 Ca 0.32 -0.59 0.12 0.00 0.82 0.00 0.00 66.70 67.37 3jvv h VAL 118 Cb 0.42 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 3jvv h VAL 118 CO -0.34 0.18 0.49 0.28 0.02 0.00 0.00 177.57 178.19 3jvv h SER 119 N 0.05 0.46 1.18 0.57 0.02 0.09 -3.15 113.55 112.77 3jvv h SER 119 Ca 0.05 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3jvv h SER 119 Cb 0.24 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3jvv h SER 119 CO -0.00 0.26 0.00 0.44 -1.14 0.00 0.00 176.83 176.39 3jvv h ASP 120 N 0.50 0.00 -2.68 3.07 3.32 0.96 -3.46 116.42 118.14 3jvv h ASP 120 Ca 0.35 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.81 3jvv h ASP 120 Cb 0.68 0.00 0.14 0.00 0.22 0.00 0.00 39.33 40.36 3jvv h ASP 120 CO -0.12 0.00 -0.08 1.33 -1.72 0.00 0.00 179.24 178.65 3jvv n VAL 121 N -3.06 2.18 0.24 -1.35 0.24 -1.19 -4.88 118.33 110.50 3jvv n VAL 121 Ca 0.01 -0.50 0.14 0.00 -2.04 0.00 0.00 64.34 61.95 3jvv n VAL 121 Cb 0.34 -0.86 0.38 0.00 -1.47 0.00 0.00 33.84 32.23 3jvv n VAL 121 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 3jvv h PRO 122 N 1.24 0.00 -2.44 7.34 0.13 -1.94 -3.47 132.00 132.85 3jvv h PRO 122 Ca -0.42 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.87 3jvv h PRO 122 Cb 1.37 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.42 3jvv h PRO 122 CO 0.55 0.03 0.44 -0.98 -0.23 0.00 0.00 178.00 177.81 3jvv s ARG 123 N -3.40 1.29 0.00 0.86 1.70 -1.26 -4.33 118.95 113.80 3jvv s ARG 123 Ca 0.04 -0.71 0.00 0.00 -0.47 0.00 0.00 55.73 54.59 3jvv s ARG 123 Cb 0.07 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.89 3jvv s ARG 123 CO 0.62 -0.59 0.00 0.41 -1.08 0.00 0.00 175.30 174.66 3jvv n GLY 124 N -0.47 0.21 3.37 3.88 0.00 0.11 -4.82 105.19 107.46 3jvv n GLY 124 Ca -0.06 -2.29 -0.33 0.00 0.00 0.00 0.00 46.02 43.35 3jvv n GLY 124 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jvv s LEU 125 N 0.00 2.69 -0.08 0.99 2.96 0.12 0.59 118.68 125.95 3jvv s LEU 125 Ca 0.00 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.61 3jvv s LEU 125 Cb 0.00 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 45.09 3jvv s LEU 125 CO 0.00 0.17 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.30 3jvv s VAL 126 N 0.33 1.80 -0.13 1.68 1.01 0.12 0.93 120.40 126.13 3jvv s VAL 126 Ca -0.11 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.01 3jvv s VAL 126 Cb -0.16 -1.56 -0.00 0.00 0.00 0.00 0.00 36.38 34.65 3jvv s VAL 126 CO 0.06 0.50 -0.18 -0.76 0.00 0.00 0.00 175.10 174.72 3jvv s LEU 127 N 0.36 2.40 -0.19 3.92 1.43 -0.77 -1.54 118.68 124.29 3jvv s LEU 127 Ca -0.16 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.44 3jvv s LEU 127 Cb -0.17 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 3jvv s LEU 127 CO 0.07 0.13 -0.06 -0.69 0.23 0.00 0.00 176.35 176.03 3jvv s VAL 128 N 0.56 3.39 0.20 -1.59 1.01 -0.91 -0.68 120.40 122.37 3jvv s VAL 128 Ca -0.11 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.39 3jvv s VAL 128 Cb -0.16 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 3jvv s VAL 128 CO 0.04 0.46 0.01 0.42 0.00 0.00 0.00 175.10 176.03 3jvv s THR 129 N 1.05 0.78 0.00 3.92 -4.23 0.93 -3.26 115.64 114.83 3jvv s THR 129 Ca 0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3jvv s THR 129 Cb -0.15 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.44 3jvv s THR 129 CO -0.00 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 3jvv n GLY 130 N -0.33 3.93 3.38 3.99 0.00 -0.65 -0.86 105.19 114.64 3jvv n GLY 130 Ca -0.05 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 3jvv n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3jvv s PRO 131 N -2.70 -2.46 0.44 1.61 0.04 -1.25 -4.25 135.00 126.44 3jvv s PRO 131 Ca 0.00 0.14 -0.26 0.00 0.04 0.00 0.00 61.00 60.93 3jvv s PRO 131 Cb 0.00 -1.43 -0.09 0.00 0.04 0.00 0.00 34.50 33.02 3jvv s PRO 131 CO 0.00 -4.57 1.44 0.25 0.04 0.00 0.00 177.00 174.16 3jvv n THR 132 N -5.41 2.70 -1.27 1.26 -2.24 -1.26 -2.37 114.28 105.69 3jvv n THR 132 Ca 0.12 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.31 3jvv n THR 132 Cb 0.59 -1.86 -0.04 0.00 -2.10 0.00 0.00 70.33 66.93 3jvv n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jvv n GLY 133 N 0.56 1.09 0.39 3.38 0.00 -1.26 -4.90 105.19 104.46 3jvv n GLY 133 Ca 0.05 -0.52 0.14 0.00 0.00 0.00 0.00 46.02 45.68 3jvv n GLY 133 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jvv n SER 134 N 0.30 1.33 0.00 1.61 3.41 -1.00 -4.79 113.62 114.48 3jvv n SER 134 Ca -0.09 -1.26 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 3jvv n SER 134 Cb 0.33 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 3jvv n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jvv n GLY 135 N 1.24 0.74 0.33 5.00 0.00 -1.26 -4.35 105.19 106.90 3jvv n GLY 135 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 3jvv n GLY 135 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jvv h LYS 136 N 3.64 -0.05 -0.71 1.61 1.57 -1.90 0.21 116.57 120.93 3jvv h LYS 136 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3jvv h LYS 136 Cb 0.00 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 3jvv h LYS 136 CO 0.00 -0.03 0.47 0.77 -0.57 0.00 0.00 179.45 180.09 3jvv h SER 137 N -0.05 0.68 -0.28 0.86 0.02 -1.95 -1.14 113.55 111.70 3jvv h SER 137 Ca 0.33 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.15 3jvv h SER 137 Cb 0.58 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 3jvv h SER 137 CO -0.82 0.45 -0.35 0.74 -1.14 0.00 0.00 176.83 175.71 3jvv h THR 138 N 0.78 1.30 -0.27 -2.27 2.02 -1.02 -0.06 112.91 113.40 3jvv h THR 138 Ca 0.30 -1.54 0.06 0.00 0.77 0.00 0.00 66.41 66.00 3jvv h THR 138 Cb 0.19 1.63 -0.06 0.00 -1.74 0.00 0.00 68.15 68.17 3jvv h THR 138 CO -0.09 0.49 -0.10 0.74 0.37 0.00 0.00 175.52 176.93 3jvv h THR 139 N 0.47 0.65 -0.24 3.16 2.02 -0.64 -1.23 112.91 117.10 3jvv h THR 139 Ca 0.03 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.25 3jvv h THR 139 Cb 0.94 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 3jvv h THR 139 CO 0.08 0.00 0.02 -0.07 0.37 0.00 0.00 175.52 175.92 3jvv h LEU 140 N -0.05 -0.05 -0.94 2.58 3.38 -0.96 -1.12 115.31 118.14 3jvv h LEU 140 Ca 0.14 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.31 3jvv h LEU 140 Cb 0.26 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 40.99 3jvv h LEU 140 CO -0.31 0.00 0.55 0.00 0.09 0.00 0.00 178.44 178.77 3jvv h ALA 141 N 1.19 1.48 -0.59 1.53 0.00 -0.65 0.24 119.26 122.46 3jvv h ALA 141 Ca 0.11 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3jvv h ALA 141 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3jvv h ALA 141 CO -0.17 -0.00 -0.01 0.00 0.00 0.00 0.00 179.25 179.07 3jvv h ALA 142 N 1.59 0.79 -0.60 0.00 0.00 -0.08 0.43 119.26 121.39 3jvv h ALA 142 Ca 0.51 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3jvv h ALA 142 Cb 0.71 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3jvv h ALA 142 CO -0.35 0.64 0.19 0.52 0.00 0.00 0.00 179.25 180.25 3jvv h MET 143 N 0.94 0.94 -0.39 0.00 2.07 0.14 0.09 114.93 118.71 3jvv h MET 143 Ca 0.17 -0.20 -0.09 0.00 -2.07 0.00 0.00 59.70 57.51 3jvv h MET 143 Cb 0.56 -0.14 -0.01 0.00 -1.87 0.00 0.00 31.60 30.15 3jvv h MET 143 CO 0.03 0.83 -0.10 -0.07 1.07 0.00 0.00 176.91 178.68 3jvv h LEU 144 N 0.86 0.76 -0.57 1.22 3.38 -0.28 -2.19 115.31 118.48 3jvv h LEU 144 Ca 0.19 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.87 3jvv h LEU 144 Cb 0.29 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3jvv h LEU 144 CO -0.01 0.95 0.25 -0.78 0.09 0.00 0.00 178.44 178.94 3jvv h ASP 145 N 0.56 0.32 -0.40 -0.43 3.58 0.18 0.29 116.42 120.52 3jvv h ASP 145 Ca 0.10 0.05 0.06 0.00 0.42 0.00 0.00 57.03 57.66 3jvv h ASP 145 Cb 0.62 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.62 3jvv h ASP 145 CO 0.04 0.21 0.11 0.22 -2.88 0.00 0.00 179.24 176.94 3jvv h TYR 146 N 0.47 0.19 -0.61 0.28 3.20 -0.82 0.51 116.97 120.20 3jvv h TYR 146 Ca 0.27 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 3jvv h TYR 146 Cb 0.25 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 3jvv h TYR 146 CO -0.13 0.06 0.25 -0.07 -1.64 0.00 0.00 178.16 176.62 3jvv h LEU 147 N 0.26 0.84 -1.89 2.82 3.38 -0.67 -1.38 115.31 118.67 3jvv h LEU 147 Ca 0.19 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3jvv h LEU 147 Cb 0.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3jvv h LEU 147 CO -0.22 0.78 0.14 -1.13 0.09 0.00 0.00 178.44 178.09 3jvv h ASN 148 N 0.85 0.12 1.74 -0.43 -1.24 0.34 0.89 115.58 117.85 3jvv h ASN 148 Ca 0.20 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.20 3jvv h ASN 148 Cb 0.19 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.21 3jvv h ASN 148 CO -0.02 0.09 -0.07 0.78 -1.29 0.00 0.00 177.43 176.92 3jvv h ASN 149 N 0.15 0.00 0.00 1.15 2.35 0.10 -0.95 115.58 118.38 3jvv h ASN 149 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3jvv h ASN 149 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3jvv h ASN 149 CO -0.01 0.07 -0.93 0.35 -1.65 0.00 0.00 177.43 175.25 3jvv n THR 150 N -3.13 0.00 -4.27 2.81 -2.24 -0.50 -4.79 114.28 102.17 3jvv n THR 150 Ca 0.03 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.51 3jvv n THR 150 Cb 0.51 -0.87 -0.10 0.00 -2.10 0.00 0.00 70.33 67.77 3jvv n THR 150 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3jvv s LYS 151 N -1.93 2.20 -1.20 -0.78 1.02 0.19 -5.03 119.74 114.20 3jvv s LYS 151 Ca 0.00 -0.97 -0.05 0.00 0.02 0.00 0.00 55.97 54.96 3jvv s LYS 151 Cb 0.00 -2.34 0.21 0.00 -0.52 0.00 0.00 37.83 35.19 3jvv s LYS 151 CO 0.00 0.52 1.95 0.66 -0.92 0.00 0.00 175.35 177.56 3jvv n TYR 152 N 0.84 2.64 -4.54 3.18 4.02 -1.26 -2.57 117.16 119.47 3jvv n TYR 152 Ca -0.14 -2.70 -0.31 0.00 -0.01 0.00 0.00 57.90 54.74 3jvv n TYR 152 Cb 0.52 -1.61 -0.06 0.00 -0.02 0.00 0.00 39.34 38.18 3jvv n TYR 152 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 3jvv s HIS 153 N -1.77 1.80 -0.27 -0.72 3.76 -1.26 -4.92 115.29 111.91 3jvv s HIS 153 Ca 0.42 -0.93 -0.05 0.00 -0.15 0.00 0.00 55.06 54.35 3jvv s HIS 153 Cb 0.13 -1.69 0.01 0.00 1.11 0.00 0.00 32.58 32.14 3jvv s HIS 153 CO -0.03 0.05 0.03 -1.58 -0.85 0.00 0.00 174.74 172.36 3jvv s HIS 154 N -2.85 3.10 -0.32 1.40 2.46 -1.26 -0.39 115.29 117.42 3jvv s HIS 154 Ca 0.13 -1.07 -0.11 0.00 0.47 0.00 0.00 55.06 54.47 3jvv s HIS 154 Cb 0.01 -2.19 -0.01 0.00 -0.13 0.00 0.00 32.58 30.25 3jvv s HIS 154 CO 0.07 -0.59 0.20 0.42 -2.47 0.00 0.00 174.74 172.37 3jvv s ILE 155 N 1.46 4.96 -0.11 0.89 1.01 0.97 -1.73 121.20 128.66 3jvv s ILE 155 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.38 3jvv s ILE 155 Cb -0.17 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 3jvv s ILE 155 CO 0.00 0.04 -0.12 -0.22 0.00 0.00 0.00 174.94 174.64 3jvv s LEU 156 N 1.67 2.82 0.09 2.97 2.96 0.09 -0.39 118.68 128.90 3jvv s LEU 156 Ca 0.05 -0.25 0.08 0.00 -0.22 0.00 0.00 54.13 53.80 3jvv s LEU 156 Cb -0.17 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 3jvv s LEU 156 CO 0.08 0.23 -0.20 0.42 -1.32 0.00 0.00 176.35 175.56 3jvv s THR 157 N -0.01 1.67 -0.17 3.68 -4.23 0.29 -1.68 115.64 115.20 3jvv s THR 157 Ca -0.03 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 3jvv s THR 157 Cb -0.14 -1.51 0.03 0.00 1.34 0.00 0.00 72.50 72.22 3jvv s THR 157 CO 0.04 -0.03 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.36 3jvv s ILE 158 N -1.11 1.42 0.00 2.99 1.01 -0.51 -0.54 121.20 124.47 3jvv s ILE 158 Ca 0.06 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.99 3jvv s ILE 158 Cb -0.10 -1.47 -0.00 0.00 0.01 0.00 0.00 42.46 40.90 3jvv s ILE 158 CO 0.04 0.26 -0.02 -1.61 0.00 0.00 0.00 174.94 173.61 3jvv s GLU 159 N 1.51 0.17 -0.50 2.79 2.02 -0.37 -2.81 118.70 121.51 3jvv s GLU 159 Ca 0.02 -0.12 0.03 0.00 0.02 0.00 0.00 54.97 54.92 3jvv s GLU 159 Cb -0.15 -0.13 0.16 0.00 0.10 0.00 0.00 34.13 34.11 3jvv s GLU 159 CO -0.09 0.03 0.34 0.34 0.02 0.00 0.00 175.26 175.91 3jvv s ASP 160 N -0.18 3.23 0.57 -0.19 2.15 -1.26 -0.38 116.67 120.62 3jvv s ASP 160 Ca -0.01 -3.10 -0.02 0.00 0.43 0.00 0.00 52.55 49.86 3jvv s ASP 160 Cb -0.02 -0.99 0.03 0.00 -0.30 0.00 0.00 42.92 41.65 3jvv s ASP 160 CO -0.00 -0.19 0.83 -2.16 -0.17 0.00 0.00 175.17 173.48 3jvv s PRO 161 N -0.23 2.62 0.15 4.34 0.04 -1.26 -5.03 135.00 135.64 3jvv s PRO 161 Ca 0.25 -0.49 -0.31 0.00 0.04 0.00 0.00 61.00 60.48 3jvv s PRO 161 Cb -0.09 -2.40 -0.11 0.00 0.04 0.00 0.00 34.50 31.94 3jvv s PRO 161 CO -0.11 -0.74 1.80 0.42 0.04 0.00 0.00 177.00 178.41 3jvv s ILE 162 N -2.86 2.36 0.00 0.56 1.01 -1.23 -4.96 121.20 116.08 3jvv s ILE 162 Ca 0.56 0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.24 3jvv s ILE 162 Cb -0.10 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.35 3jvv s ILE 162 CO 0.41 0.00 0.00 -0.62 0.00 0.00 0.00 174.94 174.73 3jvv n GLU 163 N 5.14 0.00 -2.82 2.79 1.02 -1.26 -4.93 120.64 120.58 3jvv n GLU 163 Ca 0.17 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.91 3jvv n GLU 163 Cb 0.37 -0.23 -0.05 0.00 -0.02 0.00 0.00 31.44 31.51 3jvv n GLU 163 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3jvv s PHE 164 N 0.00 3.85 -0.29 -0.32 0.08 -1.26 -4.71 117.98 115.33 3jvv s PHE 164 Ca 0.00 1.74 -0.10 0.00 0.12 0.00 0.00 56.93 58.69 3jvv s PHE 164 Cb 0.00 -2.94 -0.02 0.00 -0.57 0.00 0.00 43.02 39.48 3jvv s PHE 164 CO 0.00 0.33 0.15 0.08 -0.10 0.00 0.00 175.22 175.68 3jvv s VAL 165 N -0.47 4.75 0.33 -0.44 1.01 -1.26 -5.08 120.40 119.24 3jvv s VAL 165 Ca 0.42 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 3jvv s VAL 165 Cb -0.23 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 3jvv s VAL 165 CO 0.28 0.16 0.59 -1.00 0.00 0.00 0.00 175.10 175.14 3jvv s HIS 166 N 1.66 3.49 -0.09 5.22 3.76 -1.26 -4.89 115.29 123.18 3jvv s HIS 166 Ca 0.06 0.63 -0.00 0.00 -0.15 0.00 0.00 55.06 55.59 3jvv s HIS 166 Cb -0.16 -2.10 -0.03 0.00 1.11 0.00 0.00 32.58 31.39 3jvv s HIS 166 CO 0.07 0.09 -0.05 -2.00 -0.85 0.00 0.00 174.74 172.00 3jvv s GLU 167 N -3.87 2.95 -0.25 1.40 2.12 -1.26 -5.02 118.70 114.77 3jvv s GLU 167 Ca 0.44 -0.52 -0.29 0.00 0.36 0.00 0.00 54.97 54.97 3jvv s GLU 167 Cb -0.10 -2.68 -0.03 0.00 0.26 0.00 0.00 34.13 31.57 3jvv s GLU 167 CO 0.33 0.60 1.85 -1.12 -0.54 0.00 0.00 175.26 176.38 3jvv s SER 168 N -0.62 5.97 0.00 -1.70 0.01 -1.26 -4.89 113.70 111.21 3jvv s SER 168 Ca 0.10 1.61 0.00 0.00 1.31 0.00 0.00 55.95 58.96 3jvv s SER 168 Cb -0.12 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.59 3jvv s SER 168 CO 0.02 -1.59 0.00 0.29 0.41 0.00 0.00 173.24 172.37 3jvv n LYS 169 N 8.23 0.00 0.08 12.44 5.02 -1.26 -4.90 118.16 137.77 3jvv n LYS 169 Ca 0.23 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.37 3jvv n LYS 169 Cb 0.46 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.33 3jvv n LYS 169 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3jvv h LYS 170 N 0.00 0.23 -6.75 1.97 1.57 -1.40 -3.46 116.57 108.74 3jvv h LYS 170 Ca 0.00 -0.40 -0.49 0.00 -1.87 0.00 0.00 60.65 57.89 3jvv h LYS 170 Cb 0.00 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3jvv h LYS 170 CO 0.00 1.13 0.19 0.00 -0.57 0.00 0.00 179.45 180.20 3jvv s LEU 172 N -2.39 4.31 -0.19 0.00 2.96 0.47 -4.56 118.68 119.29 3jvv s LEU 172 Ca 0.50 1.91 -0.00 0.00 -0.22 0.00 0.00 54.13 56.32 3jvv s LEU 172 Cb -0.15 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 42.99 3jvv s LEU 172 CO 0.20 -0.56 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.83 3jvv s VAL 173 N 1.84 2.45 -0.23 1.68 1.01 -1.26 -0.02 120.40 125.87 3jvv s VAL 173 Ca 0.58 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.77 3jvv s VAL 173 Cb -0.27 -2.06 0.05 0.00 0.00 0.00 0.00 36.38 34.10 3jvv s VAL 173 CO 0.25 0.51 -0.14 0.20 0.00 0.00 0.00 175.10 175.92 3jvv s ASN 174 N 1.32 4.02 -0.14 3.32 0.01 0.48 -4.88 114.94 119.07 3jvv s ASN 174 Ca 0.05 -1.16 -0.05 0.00 -0.71 0.00 0.00 52.86 50.99 3jvv s ASN 174 Cb -0.13 -1.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.97 3jvv s ASN 174 CO -0.10 -0.13 0.03 -1.10 -1.51 0.00 0.00 177.10 174.29 3jvv s GLN 175 N 1.17 3.52 -0.20 -0.60 -0.21 -1.26 -0.55 119.66 121.52 3jvv s GLN 175 Ca -0.05 -0.38 0.01 0.00 0.02 0.00 0.00 55.36 54.97 3jvv s GLN 175 Cb -0.18 -3.01 0.04 0.00 1.00 0.00 0.00 33.01 30.86 3jvv s GLN 175 CO -0.08 0.47 -0.15 1.03 -2.12 0.00 0.00 175.29 174.45 3jvv s ARG 176 N -0.21 2.50 -0.18 2.91 0.52 0.30 -4.93 118.95 119.85 3jvv s ARG 176 Ca 0.06 -0.95 -0.26 0.00 -0.52 0.00 0.00 55.73 54.07 3jvv s ARG 176 Cb -0.12 -2.58 -0.01 0.00 0.52 0.00 0.00 34.95 32.76 3jvv s ARG 176 CO 0.02 -0.36 0.86 -2.00 0.02 0.00 0.00 175.30 173.84 3jvv s GLU 177 N 1.28 4.28 0.42 3.54 2.12 -1.26 -1.23 118.70 127.85 3jvv s GLU 177 Ca -0.00 1.06 -0.26 0.00 0.36 0.00 0.00 54.97 56.13 3jvv s GLU 177 Cb -0.16 -3.59 -0.08 0.00 0.26 0.00 0.00 34.13 30.56 3jvv s GLU 177 CO -0.09 -0.38 1.33 0.08 -0.54 0.00 0.00 175.26 175.66 3jvv s VAL 178 N 2.33 2.47 0.00 3.70 1.01 0.49 0.73 120.40 131.13 3jvv s VAL 178 Ca 0.39 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.78 3jvv s VAL 178 Cb -0.16 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 32.98 3jvv s VAL 178 CO 0.11 0.06 0.00 1.41 0.00 0.00 0.00 175.10 176.68 3jvv n HIS 179 N -0.00 0.00 -0.02 5.22 8.25 0.12 -4.66 115.22 124.13 3jvv n HIS 179 Ca 0.04 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.47 3jvv n HIS 179 Cb 0.43 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.51 3jvv n HIS 179 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3jvv n ARG 180 N -1.97 0.07 0.01 -0.41 0.00 -0.95 -4.77 116.66 108.64 3jvv n ARG 180 Ca 0.00 0.03 0.11 0.00 -0.00 0.00 0.00 57.85 57.99 3jvv n ARG 180 Cb 0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 32.46 31.76 3jvv n ARG 180 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3jvv n ASP 181 N -3.13 0.64 -3.59 6.15 8.00 0.22 -4.97 116.55 119.87 3jvv n ASP 181 Ca -0.06 -0.50 -0.11 0.00 0.71 0.00 0.00 54.79 54.83 3jvv n ASP 181 Cb 0.55 1.11 -0.04 0.00 -0.02 0.00 0.00 41.12 42.72 3jvv n ASP 181 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3jvv s THR 182 N -3.17 0.06 -0.11 -3.53 -1.32 -1.13 -4.89 115.64 101.55 3jvv s THR 182 Ca 0.03 -0.46 0.14 0.00 -1.21 0.00 0.00 61.69 60.19 3jvv s THR 182 Cb 0.15 -1.12 0.02 0.00 -1.51 0.00 0.00 72.50 70.04 3jvv s THR 182 CO 0.85 -0.25 1.42 -0.07 -2.21 0.00 0.00 174.62 174.35 3jvv h LEU 183 N 2.33 0.00 -7.22 9.08 3.38 -1.90 0.34 115.31 121.32 3jvv h LEU 183 Ca -0.34 0.00 0.31 0.00 0.09 0.00 0.00 57.88 57.94 3jvv h LEU 183 Cb 1.26 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.89 3jvv h LEU 183 CO 0.45 0.58 0.81 -0.83 0.09 0.00 0.00 178.44 179.54 3jvv s GLY 184 N -4.50 -0.39 0.18 0.83 0.00 -1.26 -4.42 107.32 97.76 3jvv s GLY 184 Ca 0.04 0.77 -0.13 0.00 0.00 0.00 0.00 44.72 45.39 3jvv s GLY 184 CO 0.76 0.16 1.73 0.74 0.00 0.00 0.00 173.10 176.49 3jvv h PHE 185 N 2.00 0.22 -0.14 1.90 0.04 -1.99 -1.77 116.94 117.21 3jvv h PHE 185 Ca -0.28 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.53 3jvv h PHE 185 Cb 1.20 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.31 3jvv h PHE 185 CO 0.32 0.05 0.04 0.77 -0.60 0.00 0.00 178.31 178.89 3jvv h SER 186 N 0.28 0.05 0.24 2.17 0.02 -1.95 0.21 113.55 114.56 3jvv h SER 186 Ca 0.23 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 3jvv h SER 186 Cb 0.27 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 3jvv h SER 186 CO -0.27 0.05 -0.13 -0.33 -1.14 0.00 0.00 176.83 175.01 3jvv h GLU 187 N 0.11 -0.34 -0.89 3.45 3.07 -1.90 0.18 114.58 118.26 3jvv h GLU 187 Ca 0.06 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 59.00 3jvv h GLU 187 Cb 0.03 0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 27.96 3jvv h GLU 187 CO -0.06 -0.23 0.56 0.00 -1.40 0.00 0.00 179.01 177.89 3jvv h ALA 188 N 0.41 1.23 -0.35 3.43 0.00 -1.12 0.55 119.26 123.40 3jvv h ALA 188 Ca -0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3jvv h ALA 188 Cb 0.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3jvv h ALA 188 CO 0.04 0.33 -0.05 -0.07 0.00 0.00 0.00 179.25 179.50 3jvv h LEU 189 N 1.03 0.65 -1.71 0.00 3.38 -0.07 0.96 115.31 119.56 3jvv h LEU 189 Ca 0.39 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3jvv h LEU 189 Cb 0.15 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3jvv h LEU 189 CO -0.17 0.84 0.11 0.03 0.09 0.00 0.00 178.44 179.34 3jvv h ARG 190 N 0.45 0.31 -0.11 1.13 3.08 -0.19 -2.03 114.38 117.01 3jvv h ARG 190 Ca 0.09 -0.03 -0.18 0.00 0.07 0.00 0.00 59.98 59.94 3jvv h ARG 190 Cb 0.53 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.53 3jvv h ARG 190 CO 0.03 0.24 -0.64 0.77 -1.07 0.00 0.00 179.97 179.30 3jvv h SER 191 N 0.31 0.75 -0.72 7.04 0.02 -0.32 -3.31 113.55 117.33 3jvv h SER 191 Ca 0.08 -0.65 0.16 0.00 -0.84 0.00 0.00 61.79 60.54 3jvv h SER 191 Cb 0.03 -0.22 -0.12 0.00 0.14 0.00 0.00 62.40 62.22 3jvv h SER 191 CO -0.01 1.28 -0.00 0.00 -1.14 0.00 0.00 176.83 176.96 3jvv h ALA 192 N 0.49 0.72 0.00 3.77 0.00 0.17 0.70 119.26 125.10 3jvv h ALA 192 Ca -0.05 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3jvv h ALA 192 Cb 1.28 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.47 3jvv h ALA 192 CO 0.13 -0.41 0.12 -0.07 0.00 0.00 0.00 179.25 179.02 3jvv h LEU 193 N 0.10 0.00 -2.80 0.00 3.38 -1.58 0.17 115.31 114.58 3jvv h LEU 193 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3jvv h LEU 193 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3jvv h LEU 193 CO -0.63 0.00 0.00 0.54 0.09 0.00 0.00 178.44 178.44 3jvv n ARG 194 N -2.49 2.75 -0.75 1.13 1.74 0.24 -4.59 116.66 114.69 3jvv n ARG 194 Ca -0.02 -2.07 -0.02 0.00 -0.77 0.00 0.00 57.85 54.97 3jvv n ARG 194 Cb 0.16 -1.30 0.23 0.00 -1.02 0.00 0.00 32.46 30.53 3jvv n ARG 194 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3jvv n GLU 195 N 0.64 2.49 -3.84 5.56 1.02 0.58 -5.00 120.64 122.09 3jvv n GLU 195 Ca 0.13 -3.04 -0.31 0.00 -0.02 0.00 0.00 57.16 53.91 3jvv n GLU 195 Cb 0.44 -1.91 0.01 0.00 -0.02 0.00 0.00 31.44 29.96 3jvv n GLU 195 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3jvv n ASP 196 N -0.80 -4.83 -4.51 1.62 2.03 -1.26 -4.95 116.55 103.85 3jvv n ASP 196 Ca 0.33 -1.04 -0.35 0.00 0.52 0.00 0.00 54.79 54.25 3jvv n ASP 196 Cb 1.09 -2.05 -0.12 0.00 -0.72 0.00 0.00 41.12 39.33 3jvv n ASP 196 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3jvv s PRO 197 N -5.79 3.74 0.08 -0.67 0.04 -1.26 -4.72 135.00 126.42 3jvv s PRO 197 Ca 0.22 -0.46 -0.17 0.00 0.04 0.00 0.00 61.00 60.62 3jvv s PRO 197 Cb -0.11 -3.13 -0.09 0.00 0.04 0.00 0.00 34.50 31.21 3jvv s PRO 197 CO 0.91 0.10 1.43 -0.44 0.04 0.00 0.00 177.00 179.05 3jvv h ASP 198 N 7.22 0.58 -3.38 6.66 3.32 -1.72 -3.45 116.42 125.65 3jvv h ASP 198 Ca -0.35 -0.43 -0.55 0.00 0.02 0.00 0.00 57.03 55.73 3jvv h ASP 198 Cb 1.18 -0.16 -0.34 0.00 0.22 0.00 0.00 39.33 40.23 3jvv h ASP 198 CO 0.63 0.88 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.57 3jvv s ILE 199 N -4.53 1.29 -0.14 0.35 1.01 -0.70 -0.47 121.20 118.00 3jvv s ILE 199 Ca -0.13 -0.56 -0.00 0.00 0.00 0.00 0.00 60.65 59.96 3jvv s ILE 199 Cb 0.08 -1.18 0.03 0.00 0.01 0.00 0.00 42.46 41.40 3jvv s ILE 199 CO 0.79 0.39 -0.10 -0.63 0.00 0.00 0.00 174.94 175.39 3jvv s ILE 200 N 0.72 1.32 -0.29 2.92 1.01 0.24 -0.73 121.20 126.40 3jvv s ILE 200 Ca -0.13 -0.54 -0.18 0.00 0.00 0.00 0.00 60.65 59.80 3jvv s ILE 200 Cb -0.16 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 3jvv s ILE 200 CO 0.03 0.36 0.51 -0.22 0.00 0.00 0.00 174.94 175.62 3jvv s LEU 201 N 1.58 4.13 -0.41 2.97 2.96 -0.67 -0.39 118.68 128.85 3jvv s LEU 201 Ca 0.04 0.35 -0.08 0.00 -0.22 0.00 0.00 54.13 54.22 3jvv s LEU 201 Cb -0.13 -2.64 0.08 0.00 0.50 0.00 0.00 46.19 44.00 3jvv s LEU 201 CO -0.09 -0.35 0.24 0.68 -1.32 0.00 0.00 176.35 175.51 3jvv s VAL 202 N 2.34 4.04 -0.81 1.68 -7.23 0.00 -1.42 120.40 119.00 3jvv s VAL 202 Ca 0.20 -1.48 -0.26 0.00 -1.81 0.00 0.00 61.98 58.64 3jvv s VAL 202 Cb -0.15 -3.50 -0.12 0.00 0.56 0.00 0.00 36.38 33.17 3jvv s VAL 202 CO 0.11 -0.51 2.30 -0.83 -0.31 0.00 0.00 175.10 175.86 3jvv s GLY 203 N 2.04 -0.59 0.00 2.32 0.00 -1.12 -3.97 107.32 106.00 3jvv s GLY 203 Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.80 3jvv s GLY 203 CO 0.01 4.06 0.00 -2.21 0.00 0.00 0.00 173.10 174.96 3jvv n GLU 204 N 8.83 0.00 -2.91 2.90 4.07 -1.26 -4.92 120.64 127.36 3jvv n GLU 204 Ca 0.45 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 57.29 3jvv n GLU 204 Cb 0.44 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.79 3jvv n GLU 204 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 3jvv n MET 205 N 0.33 3.11 -0.02 5.31 2.81 -0.95 -4.82 117.12 122.90 3jvv n MET 205 Ca 0.00 -4.73 -0.02 0.00 -1.81 0.00 0.00 57.70 51.14 3jvv n MET 205 Cb 0.00 -2.20 -0.01 0.00 -0.71 0.00 0.00 33.22 30.30 3jvv n MET 205 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3jvv n ARG 206 N -0.24 0.11 -1.67 0.03 0.63 -1.26 -4.90 116.66 109.36 3jvv n ARG 206 Ca 0.31 0.04 -0.43 0.00 -0.92 0.00 0.00 57.85 56.86 3jvv n ARG 206 Cb 0.44 -0.68 -0.03 0.00 0.45 0.00 0.00 32.46 32.63 3jvv n ARG 206 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3jvv n ASP 207 N -2.91 4.07 -0.28 6.15 9.92 -1.26 -4.84 116.55 127.40 3jvv n ASP 207 Ca -0.03 0.94 0.10 0.00 -0.53 0.00 0.00 54.79 55.27 3jvv n ASP 207 Cb 0.11 -1.52 0.24 0.00 -0.64 0.00 0.00 41.12 39.30 3jvv n ASP 207 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3jvv h LEU 208 N 9.64 0.03 -0.68 0.64 3.38 -1.96 -1.58 115.31 124.78 3jvv h LEU 208 Ca -0.48 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 3jvv h LEU 208 Cb 1.24 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.18 3jvv h LEU 208 CO 0.94 -0.08 0.37 -0.08 0.09 0.00 0.00 178.44 179.68 3jvv h GLU 209 N 0.26 0.94 -0.60 1.13 4.57 -1.99 0.22 114.58 119.11 3jvv h GLU 209 Ca 0.49 -0.11 0.11 0.00 -1.18 0.00 0.00 59.36 58.67 3jvv h GLU 209 Cb 0.92 -0.19 -0.08 0.00 -0.16 0.00 0.00 28.75 29.24 3jvv h GLU 209 CO -0.58 0.71 0.16 1.15 -1.18 0.00 0.00 179.01 179.26 3jvv h THR 210 N 0.93 0.68 -0.10 0.32 2.02 -1.66 0.36 112.91 115.45 3jvv h THR 210 Ca 0.24 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 3jvv h THR 210 Cb 0.04 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 3jvv h THR 210 CO -0.04 0.05 0.04 0.40 0.37 0.00 0.00 175.52 176.34 3jvv h ILE 211 N 0.30 1.16 -0.29 3.11 2.04 -0.83 0.60 117.51 123.59 3jvv h ILE 211 Ca 0.31 -0.48 0.07 0.00 1.00 0.00 0.00 64.86 65.76 3jvv h ILE 211 Cb 0.45 1.29 -0.07 0.00 -0.74 0.00 0.00 36.82 37.74 3jvv h ILE 211 CO -0.37 0.14 -0.18 0.03 0.00 0.00 0.00 178.15 177.76 3jvv h ARG 212 N -0.01 -0.15 -0.59 2.37 3.08 -0.24 0.24 114.38 119.09 3jvv h ARG 212 Ca 0.03 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 3jvv h ARG 212 Cb 0.19 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3jvv h ARG 212 CO -0.00 -0.10 0.05 -0.07 -1.07 0.00 0.00 179.97 178.78 3jvv h LEU 213 N -0.15 0.95 -0.18 3.04 3.38 -0.61 0.15 115.31 121.88 3jvv h LEU 213 Ca 0.16 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3jvv h LEU 213 Cb 0.39 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3jvv h LEU 213 CO -0.39 0.97 0.03 0.00 0.09 0.00 0.00 178.44 179.15 3jvv h ALA 214 N 1.13 0.18 -0.26 1.53 0.00 0.11 0.27 119.26 122.23 3jvv h ALA 214 Ca 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3jvv h ALA 214 Cb 0.46 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3jvv h ALA 214 CO 0.02 -0.40 0.13 -0.07 0.00 0.00 0.00 179.25 178.92 3jvv h LEU 215 N 0.11 0.33 -0.44 0.00 3.38 -0.16 -0.18 115.31 118.34 3jvv h LEU 215 Ca 0.08 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.03 3jvv h LEU 215 Cb 0.08 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 3jvv h LEU 215 CO -0.11 0.35 -0.08 0.74 0.09 0.00 0.00 178.44 179.43 3jvv h THR 216 N 0.29 0.58 -0.73 0.22 2.02 -0.46 0.26 112.91 115.09 3jvv h THR 216 Ca 0.09 -0.01 0.03 0.00 0.77 0.00 0.00 66.41 67.29 3jvv h THR 216 Cb 0.10 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 3jvv h THR 216 CO -0.01 0.00 0.48 0.00 0.37 0.00 0.00 175.52 176.36 3jvv h ALA 217 N 1.43 1.57 0.05 6.16 0.00 0.41 0.35 119.26 129.23 3jvv h ALA 217 Ca 0.21 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3jvv h ALA 217 Cb 0.33 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3jvv h ALA 217 CO -0.43 0.36 -0.03 0.00 0.00 0.00 0.00 179.25 179.15 3jvv h ALA 218 N 1.57 -0.07 -0.92 0.00 0.00 -0.03 -2.64 119.26 117.17 3jvv h ALA 218 Ca 0.29 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 55.01 3jvv h ALA 218 Cb 0.04 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 3jvv h ALA 218 CO -0.08 -0.21 0.56 1.49 0.00 0.00 0.00 179.25 181.01 3jvv h GLU 219 N -0.73 0.86 0.00 0.00 4.81 -0.24 -0.07 114.58 119.22 3jvv h GLU 219 Ca -0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3jvv h GLU 219 Cb 0.62 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3jvv h GLU 219 CO 0.01 0.57 0.00 0.00 -0.73 0.00 0.00 179.01 178.86 3jvv h THR 220 N 0.89 0.00 0.00 0.32 1.03 -0.34 -3.45 112.91 111.35 3jvv h THR 220 Ca 0.46 -0.14 0.00 0.00 -0.01 0.00 0.00 66.41 66.72 3jvv h THR 220 Cb 0.45 1.01 0.00 0.00 -1.07 0.00 0.00 68.15 68.54 3jvv h THR 220 CO -0.27 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 175.85 3jvv n GLY 221 N -0.78 0.88 3.92 2.99 0.00 -0.04 -5.09 105.19 107.07 3jvv n GLY 221 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 3jvv n GLY 221 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3jvv s HIS 222 N -1.63 3.06 -0.49 1.61 3.76 -1.00 -4.67 115.29 115.93 3jvv s HIS 222 Ca 0.00 0.59 -0.21 0.00 -0.15 0.00 0.00 55.06 55.29 3jvv s HIS 222 Cb 0.00 -3.07 0.04 0.00 1.11 0.00 0.00 32.58 30.66 3jvv s HIS 222 CO 0.00 -1.24 0.72 -1.17 -0.85 0.00 0.00 174.74 172.19 3jvv s LEU 223 N -5.21 4.57 -0.16 0.89 2.96 0.38 0.05 118.68 122.16 3jvv s LEU 223 Ca 0.58 -0.55 -0.07 0.00 -0.22 0.00 0.00 54.13 53.87 3jvv s LEU 223 Cb -0.11 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 3jvv s LEU 223 CO 0.46 -0.94 0.08 -0.69 -1.32 0.00 0.00 176.35 173.95 3jvv s VAL 224 N 3.04 5.01 -0.19 1.68 1.01 0.20 -0.59 120.40 130.56 3jvv s VAL 224 Ca 0.22 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.22 3jvv s VAL 224 Cb -0.16 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 3jvv s VAL 224 CO 0.16 0.50 -0.09 -0.36 0.00 0.00 0.00 175.10 175.32 3jvv s PHE 225 N -0.05 2.89 0.42 5.22 0.08 0.48 -0.70 117.98 126.32 3jvv s PHE 225 Ca 0.08 -0.96 0.04 0.00 0.12 0.00 0.00 56.93 56.20 3jvv s PHE 225 Cb -0.12 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.31 3jvv s PHE 225 CO 0.01 -0.49 0.13 0.20 -0.10 0.00 0.00 175.22 174.97 3jvv s GLY 226 N 1.13 2.68 0.12 4.36 0.00 -0.59 -0.82 107.32 114.20 3jvv s GLY 226 Ca 0.01 -1.15 0.01 0.00 0.00 0.00 0.00 44.72 43.59 3jvv s GLY 226 CO -0.02 -1.85 -0.01 -0.51 0.00 0.00 0.00 173.10 170.71 3jvv s THR 227 N -3.18 0.45 0.26 0.90 -4.23 -1.25 -2.15 115.64 106.44 3jvv s THR 227 Ca 0.22 -1.92 -0.10 0.00 -1.18 0.00 0.00 61.69 58.72 3jvv s THR 227 Cb 0.02 -1.87 -0.01 0.00 1.34 0.00 0.00 72.50 71.98 3jvv s THR 227 CO 0.14 -0.68 0.44 -0.76 -0.54 0.00 0.00 174.62 173.22 3jvv s LEU 228 N -3.06 0.54 -0.35 4.79 1.43 -1.20 -2.24 118.68 118.58 3jvv s LEU 228 Ca 0.17 -1.09 0.06 0.00 -1.03 0.00 0.00 54.13 52.24 3jvv s LEU 228 Cb 0.07 1.57 0.63 0.00 0.03 0.00 0.00 46.19 48.48 3jvv s LEU 228 CO -0.02 -1.14 1.77 1.41 0.23 0.00 0.00 176.35 178.60 3jvv n HIS 229 N -0.40 2.52 -3.06 0.29 8.25 -1.26 -2.30 115.22 119.26 3jvv n HIS 229 Ca -0.01 -1.44 -0.23 0.00 -0.26 0.00 0.00 57.72 55.78 3jvv n HIS 229 Cb 0.62 -0.77 0.01 0.00 1.12 0.00 0.00 29.99 30.97 3jvv n HIS 229 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3jvv s THR 230 N -2.85 4.29 -0.93 1.59 -4.23 -1.26 -3.77 115.64 108.48 3jvv s THR 230 Ca 0.50 -0.46 0.09 0.00 -1.18 0.00 0.00 61.69 60.64 3jvv s THR 230 Cb 0.41 -3.58 0.16 0.00 1.34 0.00 0.00 72.50 70.83 3jvv s THR 230 CO 0.11 -0.41 0.99 0.35 -0.54 0.00 0.00 174.62 175.12 3jvv n THR 231 N -2.02 0.49 -3.50 3.99 -2.24 -1.26 -1.64 114.28 108.10 3jvv n THR 231 Ca -0.00 -0.75 -0.12 0.00 -2.27 0.00 0.00 64.05 60.92 3jvv n THR 231 Cb 0.57 0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 69.62 3jvv n THR 231 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3jvv s SER 232 N -0.87 -0.44 0.18 3.42 1.04 -1.26 -4.75 113.70 111.01 3jvv s SER 232 Ca 0.14 -0.11 -0.14 0.00 0.48 0.00 0.00 55.95 56.33 3jvv s SER 232 Cb 0.09 0.55 0.13 0.00 0.10 0.00 0.00 66.02 66.88 3jvv s SER 232 CO 0.12 -0.92 1.77 0.00 0.98 0.00 0.00 173.24 175.20 3jvv h ALA 233 N 2.17 0.60 0.39 5.32 0.00 -1.90 -1.67 119.26 124.16 3jvv h ALA 233 Ca -0.34 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3jvv h ALA 233 Cb 1.29 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3jvv h ALA 233 CO 0.41 -0.14 -0.26 0.00 0.00 0.00 0.00 179.25 179.26 3jvv h ALA 234 N 1.27 -0.63 -0.63 0.00 0.00 -1.96 -1.78 119.26 115.52 3jvv h ALA 234 Ca 0.21 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3jvv h ALA 234 Cb 0.15 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3jvv h ALA 234 CO -0.17 -0.87 0.42 0.87 0.00 0.00 0.00 179.25 179.49 3jvv h LYS 235 N -0.64 0.65 -0.24 0.00 1.57 -1.94 0.23 116.57 116.21 3jvv h LYS 235 Ca -0.04 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3jvv h LYS 235 Cb 0.54 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3jvv h LYS 235 CO 0.02 0.43 0.12 1.15 -0.57 0.00 0.00 179.45 180.60 3jvv h THR 236 N 0.67 1.00 -0.23 -0.16 2.02 -0.97 0.21 112.91 115.45 3jvv h THR 236 Ca 0.27 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 67.30 3jvv h THR 236 Cb 0.21 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 3jvv h THR 236 CO -0.08 0.05 -0.09 0.40 0.37 0.00 0.00 175.52 176.17 3jvv h ILE 237 N 0.26 1.29 -0.54 3.11 2.04 0.04 -2.11 117.51 121.60 3jvv h ILE 237 Ca 0.10 -1.13 0.09 0.00 1.00 0.00 0.00 64.86 64.92 3jvv h ILE 237 Cb 0.02 1.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 3jvv h ILE 237 CO -0.06 0.35 0.15 0.44 0.00 0.00 0.00 178.15 179.03 3jvv h ASP 238 N 0.19 0.09 -0.46 1.72 3.32 -0.55 -2.61 116.42 118.12 3jvv h ASP 238 Ca 0.06 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.23 3jvv h ASP 238 Cb 0.57 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 3jvv h ASP 238 CO 0.03 0.07 0.24 -0.09 -1.72 0.00 0.00 179.24 177.77 3jvv h ARG 239 N 0.30 0.47 -0.79 3.56 1.12 -0.18 0.40 114.38 119.26 3jvv h ARG 239 Ca 0.27 -0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 59.10 3jvv h ARG 239 Cb 0.36 -0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 30.17 3jvv h ARG 239 CO -0.32 0.31 0.43 0.28 -3.11 0.00 0.00 179.97 177.55 3jvv h VAL 240 N 0.48 1.24 0.02 0.20 2.07 -1.02 -2.78 116.25 116.45 3jvv h VAL 240 Ca 0.20 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 3jvv h VAL 240 Cb 0.09 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 3jvv h VAL 240 CO -0.13 0.27 -0.22 0.58 0.02 0.00 0.00 177.57 178.09 3jvv h VAL 241 N 1.11 1.68 -0.92 2.57 2.07 -1.18 -3.38 116.25 118.20 3jvv h VAL 241 Ca 0.28 -2.36 0.18 0.00 0.82 0.00 0.00 66.70 65.62 3jvv h VAL 241 Cb 0.04 3.26 -0.10 0.00 -1.52 0.00 0.00 31.29 32.97 3jvv h VAL 241 CO -0.04 0.60 0.51 0.44 0.02 0.00 0.00 177.57 179.09 3jvv h ASP 242 N -0.92 0.61 -0.16 0.57 3.32 -0.13 -1.61 116.42 118.10 3jvv h ASP 242 Ca -0.05 0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.15 3jvv h ASP 242 Cb 1.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 3jvv h ASP 242 CO -0.00 0.21 0.24 -0.37 -1.72 0.00 0.00 179.24 177.60 3jvv h VAL 243 N 0.65 0.30 -3.84 -1.35 -1.51 -1.67 -3.43 116.25 105.41 3jvv h VAL 243 Ca 0.53 0.00 -0.48 0.00 -1.23 0.00 0.00 66.70 65.52 3jvv h VAL 243 Cb 0.82 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 30.77 3jvv h VAL 243 CO -0.40 0.00 0.18 -0.36 -1.23 0.00 0.00 177.57 175.77 3jvv s PHE 244 N -4.46 3.42 0.71 5.19 0.08 -0.61 -5.05 117.98 117.25 3jvv s PHE 244 Ca -0.04 1.24 -0.14 0.00 0.12 0.00 0.00 56.93 58.11 3jvv s PHE 244 Cb 0.14 -2.58 0.02 0.00 -0.57 0.00 0.00 43.02 40.03 3jvv s PHE 244 CO 0.47 -0.09 1.12 -1.25 -0.10 0.00 0.00 175.22 175.37 3jvv s PRO 245 N -3.53 2.52 0.22 0.24 0.04 -1.26 -4.76 135.00 128.47 3jvv s PRO 245 Ca 0.55 1.37 -0.16 0.00 0.04 0.00 0.00 61.00 62.80 3jvv s PRO 245 Cb -0.10 -1.92 0.25 0.00 0.04 0.00 0.00 34.50 32.77 3jvv s PRO 245 CO 0.25 -1.47 1.58 0.00 0.04 0.00 0.00 177.00 177.40 3jvv h ALA 246 N -0.39 0.25 -0.13 8.56 0.00 -1.96 0.83 119.26 126.43 3jvv h ALA 246 Ca -0.46 0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.74 3jvv h ALA 246 Cb 1.25 0.77 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 3jvv h ALA 246 CO 0.52 -0.55 0.20 1.05 0.00 0.00 0.00 179.25 180.48 3jvv h GLU 247 N -0.06 0.00 -0.01 0.00 9.09 -2.04 -2.27 114.58 119.29 3jvv h GLU 247 Ca 0.33 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.74 3jvv h GLU 247 Cb 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.68 3jvv h GLU 247 CO -0.82 0.00 -0.27 -1.91 0.05 0.00 0.00 179.01 176.06 3jvv n GLU 248 N -3.50 1.63 -0.08 1.06 2.13 0.27 -4.63 120.64 117.51 3jvv n GLU 248 Ca 0.00 -0.92 -0.11 0.00 0.66 0.00 0.00 57.16 56.79 3jvv n GLU 248 Cb 0.31 -1.28 -0.04 0.00 0.27 0.00 0.00 31.44 30.69 3jvv n GLU 248 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3jvv h LYS 249 N 2.02 0.41 -0.33 5.31 1.57 -1.16 -3.01 116.57 121.39 3jvv h LYS 249 Ca 0.00 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3jvv h LYS 249 Cb 0.57 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 3jvv h LYS 249 CO 0.00 0.58 0.08 0.00 -0.57 0.00 0.00 179.45 179.54 3jvv h ALA 250 N 0.81 0.36 -0.60 3.86 0.00 -1.82 0.10 119.26 121.97 3jvv h ALA 250 Ca 0.07 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3jvv h ALA 250 Cb 0.39 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3jvv h ALA 250 CO 0.01 -0.32 0.08 0.00 0.00 0.00 0.00 179.25 179.02 3jvv h MET 251 N 0.21 0.98 -0.21 0.00 -0.00 -1.88 0.75 114.93 114.79 3jvv h MET 251 Ca 0.15 -0.25 -0.01 0.00 -0.00 0.00 0.00 59.70 59.59 3jvv h MET 251 Cb 0.16 -0.12 -0.01 0.00 -0.00 0.00 0.00 31.60 31.62 3jvv h MET 251 CO -0.19 0.92 0.09 0.28 -0.00 0.00 0.00 176.91 178.01 3jvv h VAL 252 N 0.93 1.15 -0.78 -0.10 2.07 -1.25 0.34 116.25 118.60 3jvv h VAL 252 Ca 0.19 -0.44 0.08 0.00 0.82 0.00 0.00 66.70 67.34 3jvv h VAL 252 Cb 0.42 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 3jvv h VAL 252 CO 0.01 0.15 0.44 -0.09 0.02 0.00 0.00 177.57 178.10 3jvv h ARG 253 N 0.20 0.74 0.15 1.57 2.43 -0.54 0.96 114.38 119.89 3jvv h ARG 253 Ca 0.07 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3jvv h ARG 253 Cb 0.15 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3jvv h ARG 253 CO -0.01 0.49 -0.07 0.66 -1.51 0.00 0.00 179.97 179.53 3jvv h SER 254 N 0.77 -0.17 -0.81 -3.80 4.64 -0.30 -1.68 113.55 112.19 3jvv h SER 254 Ca 0.36 -0.36 0.20 0.00 -0.47 0.00 0.00 61.79 61.52 3jvv h SER 254 Cb 0.29 0.04 -0.13 0.00 -0.31 0.00 0.00 62.40 62.29 3jvv h SER 254 CO -0.22 0.33 0.17 0.24 -0.87 0.00 0.00 176.83 176.48 3jvv h MET 255 N -0.73 0.20 -0.40 4.77 2.86 -0.23 -1.42 114.93 119.98 3jvv h MET 255 Ca -0.02 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 3jvv h MET 255 Cb 0.52 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3jvv h MET 255 CO 0.03 0.13 0.03 1.25 1.06 0.00 0.00 176.91 179.41 3jvv h LEU 256 N 0.21 0.67 -0.48 1.22 5.85 -0.72 0.24 115.31 122.29 3jvv h LEU 256 Ca 0.48 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.97 3jvv h LEU 256 Cb 0.91 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 3jvv h LEU 256 CO -0.62 0.79 0.21 0.77 -0.34 0.00 0.00 178.44 179.25 3jvv h SER 257 N 0.52 0.26 -0.28 1.25 4.64 -0.36 0.18 113.55 119.76 3jvv h SER 257 Ca 0.12 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.44 3jvv h SER 257 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3jvv h SER 257 CO 0.02 0.19 0.01 -0.33 -0.87 0.00 0.00 176.83 175.84 3jvv h GLU 258 N 0.41 0.49 0.00 4.77 4.39 -1.07 -3.37 114.58 120.19 3jvv h GLU 258 Ca 0.22 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 3jvv h GLU 258 Cb 0.18 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3jvv h GLU 258 CO -0.19 0.63 -1.22 -1.13 -1.16 0.00 0.00 179.01 175.95 3jvv n SER 259 N -4.61 0.83 -4.71 1.42 3.41 0.05 -4.91 113.62 105.11 3jvv n SER 259 Ca -0.03 0.34 -0.42 0.00 -0.26 0.00 0.00 58.87 58.50 3jvv n SER 259 Cb 0.24 0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 3jvv n SER 259 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3jvv s LEU 260 N -5.52 4.36 -0.22 1.04 2.96 0.59 0.16 118.68 122.05 3jvv s LEU 260 Ca -0.02 2.34 0.02 0.00 -0.22 0.00 0.00 54.13 56.25 3jvv s LEU 260 Cb 0.09 -3.58 -0.15 0.00 0.50 0.00 0.00 46.19 43.06 3jvv s LEU 260 CO 0.80 -0.72 -0.19 0.00 -1.32 0.00 0.00 176.35 174.93 3jvv n GLN 261 N 4.45 0.58 -3.46 1.98 1.13 0.26 -4.52 117.38 117.80 3jvv n GLN 261 Ca 0.13 0.12 -0.12 0.00 -1.94 0.00 0.00 57.00 55.19 3jvv n GLN 261 Cb 0.42 -1.45 -0.03 0.00 0.11 0.00 0.00 30.24 29.29 3jvv n GLN 261 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3jvv s SER 262 N -6.13 -0.52 -0.04 1.08 0.15 -1.20 0.88 113.70 107.92 3jvv s SER 262 Ca -0.29 0.13 0.01 0.00 0.70 0.00 0.00 55.95 56.50 3jvv s SER 262 Cb 0.08 0.52 0.02 0.00 -1.71 0.00 0.00 66.02 64.93 3jvv s SER 262 CO 0.52 -0.80 -0.06 -0.69 1.20 0.00 0.00 173.24 173.42 3jvv s VAL 263 N -3.06 0.60 -0.28 4.45 1.01 -0.76 -1.85 120.40 120.52 3jvv s VAL 263 Ca -0.00 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.81 3jvv s VAL 263 Cb -0.01 -0.59 0.07 0.00 0.00 0.00 0.00 36.38 35.85 3jvv s VAL 263 CO -0.08 0.23 -0.03 -0.63 0.00 0.00 0.00 175.10 174.59 3jvv s ILE 264 N 0.69 1.86 -0.11 2.22 1.01 0.14 -1.24 121.20 125.77 3jvv s ILE 264 Ca -0.10 -1.65 -0.03 0.00 0.00 0.00 0.00 60.65 58.87 3jvv s ILE 264 Cb -0.13 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 3jvv s ILE 264 CO 0.01 -0.26 0.02 -0.44 0.00 0.00 0.00 174.94 174.27 3jvv s SER 265 N 1.20 5.37 0.03 3.58 0.01 -0.39 -0.05 113.70 123.45 3jvv s SER 265 Ca -0.01 0.14 -0.00 0.00 1.31 0.00 0.00 55.95 57.39 3jvv s SER 265 Cb -0.19 -1.64 -0.02 0.00 0.21 0.00 0.00 66.02 64.38 3jvv s SER 265 CO -0.08 0.33 -0.03 -1.58 0.41 0.00 0.00 173.24 172.29 3jvv s GLN 266 N -0.60 0.38 0.04 12.44 0.74 -0.04 0.01 119.66 132.63 3jvv s GLN 266 Ca 0.10 -0.74 -0.12 0.00 0.05 0.00 0.00 55.36 54.65 3jvv s GLN 266 Cb -0.12 0.12 0.01 0.00 1.10 0.00 0.00 33.01 34.13 3jvv s GLN 266 CO 0.02 -0.06 0.26 -0.08 -0.55 0.00 0.00 175.29 174.89 3jvv s THR 267 N -1.98 0.09 -0.09 -0.34 -1.32 -0.69 -4.47 115.64 106.85 3jvv s THR 267 Ca -0.11 -0.73 -0.05 0.00 -1.21 0.00 0.00 61.69 59.59 3jvv s THR 267 Cb -0.06 -0.88 -0.04 0.00 -1.51 0.00 0.00 72.50 70.01 3jvv s THR 267 CO -0.03 -0.40 0.11 -0.76 -2.21 0.00 0.00 174.62 171.33 3jvv s LEU 268 N -1.98 4.19 -0.05 9.08 1.43 -1.26 -0.72 118.68 129.37 3jvv s LEU 268 Ca -0.06 0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.44 3jvv s LEU 268 Cb -0.02 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 44.11 3jvv s LEU 268 CO -0.03 0.38 -0.14 -0.63 0.23 0.00 0.00 176.35 176.17 3jvv s ILE 269 N -1.05 1.19 -0.21 -0.59 1.01 0.15 -4.93 121.20 116.77 3jvv s ILE 269 Ca 0.17 -0.55 -0.35 0.00 0.00 0.00 0.00 60.65 59.92 3jvv s ILE 269 Cb -0.12 -1.05 -0.11 0.00 0.01 0.00 0.00 42.46 41.19 3jvv s ILE 269 CO 0.06 0.36 2.01 1.17 0.00 0.00 0.00 174.94 178.53 3jvv n LYS 270 N 3.46 1.68 -2.57 2.79 4.81 -1.26 -1.20 118.16 125.87 3jvv n LYS 270 Ca -0.20 0.56 -0.41 0.00 -0.87 0.00 0.00 58.31 57.39 3jvv n LYS 270 Cb 0.53 -2.59 -0.04 0.00 0.02 0.00 0.00 35.03 32.94 3jvv n LYS 270 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3jvv s LYS 271 N 4.98 4.61 0.20 1.64 2.20 0.19 -4.51 119.74 129.05 3jvv s LYS 271 Ca 1.00 1.64 -0.32 0.00 -0.36 0.00 0.00 55.97 57.93 3jvv s LYS 271 Cb -0.75 -3.31 -0.11 0.00 -1.51 0.00 0.00 37.83 32.15 3jvv s LYS 271 CO 0.51 0.09 1.64 -1.50 -0.36 0.00 0.00 175.35 175.73 3jvv s ILE 272 N -0.06 2.30 -0.17 5.43 2.07 0.12 -0.78 121.20 130.11 3jvv s ILE 272 Ca 0.49 0.22 0.00 0.00 -1.41 0.00 0.00 60.65 59.95 3jvv s ILE 272 Cb -0.28 -3.14 0.00 0.00 0.13 0.00 0.00 42.46 39.18 3jvv s ILE 272 CO 0.33 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.99 3jvv n GLY 273 N 3.74 0.53 0.00 1.50 0.00 -1.26 -4.88 105.19 104.81 3jvv n GLY 273 Ca 0.14 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3jvv n GLY 273 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jvv n GLY 274 N -2.61 3.23 6.73 -0.02 0.00 0.04 -5.14 105.19 107.42 3jvv n GLY 274 Ca -0.02 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3jvv n GLY 274 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jvv n GLY 275 N -0.46 -1.90 3.31 -0.02 0.00 -1.26 -4.37 105.19 100.49 3jvv n GLY 275 Ca 0.00 -1.35 -0.16 0.00 0.00 0.00 0.00 46.02 44.51 3jvv n GLY 275 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jvv s ARG 276 N -0.05 1.25 0.05 1.61 3.00 -1.26 0.56 118.95 124.10 3jvv s ARG 276 Ca 0.00 -1.60 0.03 0.00 0.00 0.00 0.00 55.73 54.15 3jvv s ARG 276 Cb 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 34.95 34.29 3jvv s ARG 276 CO 0.00 -0.03 -0.09 0.54 0.00 0.00 0.00 175.30 175.72 3jvv s VAL 277 N -3.37 0.61 0.16 3.52 0.11 -0.34 -4.77 120.40 116.31 3jvv s VAL 277 Ca 0.24 -1.11 -0.20 0.00 -2.93 0.00 0.00 61.98 57.99 3jvv s VAL 277 Cb 0.04 -0.66 -0.08 0.00 -1.53 0.00 0.00 36.38 34.16 3jvv s VAL 277 CO 0.06 -0.36 0.67 0.00 -3.33 0.00 0.00 175.10 172.13 3jvv s ALA 278 N -1.37 3.49 0.01 1.54 0.00 -1.26 -0.67 121.76 123.51 3jvv s ALA 278 Ca -0.09 0.12 0.09 0.00 0.00 0.00 0.00 51.96 52.08 3jvv s ALA 278 Cb -0.10 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 3jvv s ALA 278 CO 0.01 0.36 -0.26 0.00 0.00 0.00 0.00 175.76 175.87 3jvv s ALA 279 N -1.34 2.19 -0.02 0.00 0.00 0.10 -4.97 121.76 117.71 3jvv s ALA 279 Ca 0.37 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 51.17 3jvv s ALA 279 Cb -0.18 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.43 3jvv s ALA 279 CO 0.21 0.53 -0.11 -1.01 0.00 0.00 0.00 175.76 175.38 3jvv s HIS 280 N -0.71 1.09 -0.06 0.00 0.09 -1.26 -1.70 115.29 112.74 3jvv s HIS 280 Ca 0.11 -0.26 -0.15 0.00 -0.00 0.00 0.00 55.06 54.75 3jvv s HIS 280 Cb -0.10 -0.75 -0.05 0.00 -0.00 0.00 0.00 32.58 31.68 3jvv s HIS 280 CO 0.01 -0.09 0.39 -2.00 -0.00 0.00 0.00 174.74 173.04 3jvv s GLU 281 N 0.06 4.04 -0.08 1.40 2.12 0.10 -4.47 118.70 121.87 3jvv s GLU 281 Ca -0.01 0.34 0.00 0.00 0.36 0.00 0.00 54.97 55.65 3jvv s GLU 281 Cb -0.08 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 31.03 3jvv s GLU 281 CO 0.00 0.50 -0.06 0.42 -0.54 0.00 0.00 175.26 175.59 3jvv s ILE 282 N -0.44 0.81 -0.01 -3.70 1.01 0.36 -1.27 121.20 117.96 3jvv s ILE 282 Ca 0.22 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.75 3jvv s ILE 282 Cb -0.15 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 3jvv s ILE 282 CO 0.11 0.31 -0.22 -0.32 0.00 0.00 0.00 174.94 174.82 3jvv s MET 283 N 1.43 2.16 -0.08 2.79 1.75 -0.37 -1.47 119.30 125.52 3jvv s MET 283 Ca -0.02 -0.90 0.05 0.00 -1.25 0.00 0.00 55.69 53.57 3jvv s MET 283 Cb -0.13 -2.13 -0.01 0.00 2.84 0.00 0.00 34.83 35.40 3jvv s MET 283 CO -0.04 0.57 -0.25 0.42 -0.65 0.00 0.00 175.02 175.07 3jvv s ILE 284 N -0.70 2.06 -1.24 10.11 1.01 -1.26 -1.82 121.20 129.36 3jvv s ILE 284 Ca 0.11 -1.05 -0.20 0.00 0.00 0.00 0.00 60.65 59.52 3jvv s ILE 284 Cb -0.10 -1.76 0.02 0.00 0.01 0.00 0.00 42.46 40.63 3jvv s ILE 284 CO 0.00 0.57 1.78 -0.83 0.00 0.00 0.00 174.94 176.46 3jvv s GLY 285 N 0.05 1.15 0.38 6.18 0.00 0.25 -4.93 107.32 110.40 3jvv s GLY 285 Ca -0.10 -2.62 -0.07 0.00 0.00 0.00 0.00 44.72 41.93 3jvv s GLY 285 CO 0.06 2.99 0.68 -0.51 0.00 0.00 0.00 173.10 176.32 3jvv s THR 286 N 6.42 4.92 0.28 0.90 -4.23 -1.26 -4.86 115.64 117.81 3jvv s THR 286 Ca 0.58 0.25 -0.01 0.00 -1.18 0.00 0.00 61.69 61.33 3jvv s THR 286 Cb 0.02 -3.77 0.35 0.00 1.34 0.00 0.00 72.50 70.43 3jvv s THR 286 CO 0.08 -0.53 1.61 1.55 -0.54 0.00 0.00 174.62 176.79 3jvv h PRO 287 N 1.13 0.08 -0.05 3.99 0.13 -1.98 0.23 132.00 135.53 3jvv h PRO 287 Ca -0.47 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.66 3jvv h PRO 287 Cb 1.19 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3jvv h PRO 287 CO 0.64 0.06 -0.01 0.00 -0.23 0.00 0.00 178.00 178.45 3jvv h ALA 288 N 1.85 0.03 -0.68 -0.56 0.00 -1.98 0.15 119.26 118.07 3jvv h ALA 288 Ca 0.53 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.41 3jvv h ALA 288 Cb 1.03 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3jvv h ALA 288 CO -0.78 -0.50 0.26 0.82 0.00 0.00 0.00 179.25 179.06 3jvv h ILE 289 N -0.00 1.24 -0.90 0.00 2.04 -1.50 0.12 117.51 118.51 3jvv h ILE 289 Ca 0.03 -0.78 0.09 0.00 1.00 0.00 0.00 64.86 65.20 3jvv h ILE 289 Cb 0.04 0.48 -0.07 0.00 -0.74 0.00 0.00 36.82 36.53 3jvv h ILE 289 CO -0.05 0.31 0.55 0.03 0.00 0.00 0.00 178.15 178.99 3jvv h ARG 290 N 0.97 0.92 -0.45 2.37 3.08 -0.20 0.80 114.38 121.87 3jvv h ARG 290 Ca 0.22 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 3jvv h ARG 290 Cb 0.22 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3jvv h ARG 290 CO -0.02 0.61 0.26 -0.91 -1.07 0.00 0.00 179.97 178.84 3jvv h ASN 291 N 0.95 0.54 -0.69 7.04 4.21 0.35 0.22 115.58 128.19 3jvv h ASN 291 Ca 0.42 -0.07 0.13 0.00 1.21 0.00 0.00 56.30 57.99 3jvv h ASN 291 Cb 0.31 -0.14 -0.09 0.00 -1.12 0.00 0.00 38.32 37.28 3jvv h ASN 291 CO -0.22 0.45 0.23 -0.07 -1.29 0.00 0.00 177.43 176.53 3jvv h LEU 292 N 0.59 0.16 0.02 1.61 3.38 1.00 0.59 115.31 122.66 3jvv h LEU 292 Ca 0.16 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 3jvv h LEU 292 Cb 0.01 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3jvv h LEU 292 CO -0.03 0.07 -0.01 0.40 0.09 0.00 0.00 178.44 178.96 3jvv h ILE 293 N 0.37 1.16 -0.82 1.22 2.04 -0.67 0.37 117.51 121.19 3jvv h ILE 293 Ca 0.37 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3jvv h ILE 293 Cb 0.56 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 3jvv h ILE 293 CO -0.40 0.15 0.48 -0.09 0.00 0.00 0.00 178.15 178.29 3jvv h ARG 294 N -0.28 1.11 -0.01 2.37 2.43 0.24 -2.31 114.38 117.94 3jvv h ARG 294 Ca -0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3jvv h ARG 294 Cb 0.26 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3jvv h ARG 294 CO 0.01 0.79 -0.09 0.39 -1.51 0.00 0.00 179.97 179.55 3jvv n GLU 295 N -4.44 0.87 -3.02 0.20 1.02 0.20 -4.90 120.64 110.57 3jvv n GLU 295 Ca 0.08 -0.33 -0.12 0.00 -0.02 0.00 0.00 57.16 56.77 3jvv n GLU 295 Cb 0.07 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.05 3jvv n GLU 295 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3jvv n ASP 296 N -0.78 -2.64 -1.11 1.62 -0.08 -0.69 -4.94 116.55 107.93 3jvv n ASP 296 Ca 0.16 -0.40 0.01 0.00 -1.51 0.00 0.00 54.79 53.05 3jvv n ASP 296 Cb 0.27 -3.59 0.13 0.00 2.34 0.00 0.00 41.12 40.28 3jvv n ASP 296 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3jvv n LYS 297 N -3.18 1.53 -0.13 -0.67 5.02 0.12 -4.85 118.16 116.01 3jvv n LYS 297 Ca -0.15 -3.15 0.24 0.00 -2.02 0.00 0.00 58.31 53.23 3jvv n LYS 297 Cb 0.60 -1.36 0.68 0.00 -0.02 0.00 0.00 35.03 34.93 3jvv n LYS 297 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 3jvv h VAL 298 N 2.72 0.64 -1.41 -0.18 3.04 -1.89 -0.59 116.25 118.58 3jvv h VAL 298 Ca -0.01 -0.02 0.46 0.00 -1.01 0.00 0.00 66.70 66.12 3jvv h VAL 298 Cb 1.29 0.56 -0.13 0.00 -2.01 0.00 0.00 31.29 31.01 3jvv h VAL 298 CO 0.14 0.01 0.92 0.00 -1.01 0.00 0.00 177.57 177.63 3jvv h ALA 299 N 1.63 2.89 0.00 3.17 0.00 -1.92 0.74 119.26 125.77 3jvv h ALA 299 Ca 0.37 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3jvv h ALA 299 Cb 1.37 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3jvv h ALA 299 CO -0.03 -1.53 0.00 1.96 0.00 0.00 0.00 179.25 179.65 3jvv h GLN 300 N 0.05 0.00 -0.47 0.00 4.20 -1.51 -3.36 115.11 114.01 3jvv h GLN 300 Ca 0.85 0.00 0.02 0.00 0.06 0.00 0.00 58.65 59.58 3jvv h GLN 300 Cb 2.78 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 30.53 3jvv h GLN 300 CO -0.38 0.00 0.31 1.98 -0.67 0.00 0.00 178.83 180.07 3jvv h MET 301 N 0.00 0.54 -0.87 1.46 4.05 0.35 -2.65 114.93 117.81 3jvv h MET 301 Ca 0.00 -0.03 0.12 0.00 -0.28 0.00 0.00 59.70 59.50 3jvv h MET 301 Cb 0.69 -0.12 -0.08 0.00 -0.80 0.00 0.00 31.60 31.28 3jvv h MET 301 CO 0.00 0.35 0.49 -0.92 0.23 0.00 0.00 176.91 177.07 3jvv h TYR 302 N 0.55 0.89 -0.10 1.39 5.03 -1.74 0.17 116.97 123.16 3jvv h TYR 302 Ca 0.19 0.03 -0.20 0.00 2.58 0.00 0.00 58.73 61.32 3jvv h TYR 302 Cb 0.06 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.08 3jvv h TYR 302 CO -0.00 0.31 -0.77 0.66 -1.32 0.00 0.00 178.16 177.04 3jvv h SER 303 N 0.78 0.66 -0.91 -2.11 4.64 -1.78 -2.32 113.55 112.50 3jvv h SER 303 Ca 0.44 -0.45 0.12 0.00 -0.47 0.00 0.00 61.79 61.44 3jvv h SER 303 Cb 0.48 -0.20 -0.07 0.00 -0.31 0.00 0.00 62.40 62.31 3jvv h SER 303 CO -0.29 1.21 0.58 0.00 -0.87 0.00 0.00 176.83 177.47 3jvv h ALA 304 N 0.77 1.71 -0.02 5.18 0.00 -0.79 0.17 119.26 126.28 3jvv h ALA 304 Ca -0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3jvv h ALA 304 Cb 1.38 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3jvv h ALA 304 CO 0.14 0.06 0.01 0.82 0.00 0.00 0.00 179.25 180.29 3jvv h ILE 305 N 0.81 1.08 -1.00 0.00 2.04 -0.54 -2.50 117.51 117.40 3jvv h ILE 305 Ca 0.45 -0.24 0.22 0.00 1.00 0.00 0.00 64.86 66.29 3jvv h ILE 305 Cb 0.58 1.20 -0.11 0.00 -0.74 0.00 0.00 36.82 37.76 3jvv h ILE 305 CO -0.21 0.07 0.62 1.56 0.00 0.00 0.00 178.15 180.18 3jvv h GLN 306 N -0.06 0.59 -0.43 2.37 4.20 -0.22 0.63 115.11 122.20 3jvv h GLN 306 Ca 0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3jvv h GLN 306 Cb 0.10 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3jvv h GLN 306 CO -0.00 0.39 0.00 0.25 -0.67 0.00 0.00 178.83 178.80 3jvv n THR 307 N -4.75 0.57 -0.88 -0.54 -2.24 -0.01 -4.23 114.28 102.19 3jvv n THR 307 Ca 0.24 -0.60 0.07 0.00 -2.27 0.00 0.00 64.05 61.50 3jvv n THR 307 Cb 0.70 0.36 0.40 0.00 -2.10 0.00 0.00 70.33 69.69 3jvv n THR 307 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jvv n GLY 308 N 1.25 3.03 0.35 3.38 0.00 0.21 -4.63 105.19 108.77 3jvv n GLY 308 Ca 0.16 -0.93 0.13 0.00 0.00 0.00 0.00 46.02 45.38 3jvv n GLY 308 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3jvv h GLY 309 N 3.92 1.76 1.02 -0.02 0.00 -1.72 -1.64 103.07 106.39 3jvv h GLY 309 Ca 0.00 -0.34 0.07 0.00 0.00 0.00 0.00 47.33 47.06 3jvv h GLY 309 CO 0.45 -0.09 0.47 1.48 0.00 0.00 0.00 176.54 178.86 3jvv h SER 310 N 0.72 0.62 0.27 0.19 4.64 -1.89 0.26 113.55 118.36 3jvv h SER 310 Ca 0.58 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 3jvv h SER 310 Cb 0.91 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3jvv h SER 310 CO -0.40 0.40 -0.08 0.18 -0.87 0.00 0.00 176.83 176.06 3jvv n LEU 311 N -4.48 0.50 0.00 5.97 4.77 -0.67 -4.91 117.00 118.18 3jvv n LEU 311 Ca 0.11 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3jvv n LEU 311 Cb 0.26 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3jvv n LEU 311 CO 0.33 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3jvv n GLY 312 N 1.22 0.84 3.80 -0.72 0.00 0.90 -4.98 105.19 106.26 3jvv n GLY 312 Ca 0.16 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3jvv n GLY 312 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3jvv s MET 313 N -0.65 2.87 -0.27 1.61 -1.94 -0.87 -4.87 119.30 115.19 3jvv s MET 313 Ca 0.00 1.14 -0.26 0.00 -1.71 0.00 0.00 55.69 54.86 3jvv s MET 313 Cb 0.00 -1.97 0.13 0.00 2.01 0.00 0.00 34.83 34.99 3jvv s MET 313 CO 0.00 -1.16 1.06 1.14 -0.01 0.00 0.00 175.02 176.05 3jvv s GLN 314 N -4.60 0.48 0.62 2.03 -2.07 -0.54 -4.02 119.66 111.56 3jvv s GLN 314 Ca 0.62 0.49 -0.11 0.00 -1.82 0.00 0.00 55.36 54.54 3jvv s GLN 314 Cb -0.16 0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 31.95 3jvv s GLN 314 CO 0.48 -0.07 1.02 0.95 -1.32 0.00 0.00 175.29 176.35 3jvv s THR 315 N 0.03 4.67 0.14 3.63 -4.23 -1.26 -0.48 115.64 118.14 3jvv s THR 315 Ca 0.03 0.84 -0.22 0.00 -1.18 0.00 0.00 61.69 61.16 3jvv s THR 315 Cb -0.04 -3.85 0.01 0.00 1.34 0.00 0.00 72.50 69.96 3jvv s THR 315 CO -0.06 -1.12 1.65 0.25 -0.54 0.00 0.00 174.62 174.80 3jvv h LEU 316 N -0.31 -0.60 -0.77 4.79 7.12 -1.92 -1.89 115.31 121.74 3jvv h LEU 316 Ca -0.44 0.11 0.09 0.00 0.13 0.00 0.00 57.88 57.77 3jvv h LEU 316 Cb 1.19 0.29 -0.07 0.00 -0.53 0.00 0.00 40.66 41.54 3jvv h LEU 316 CO 0.62 -0.23 0.42 0.44 -0.13 0.00 0.00 178.44 179.57 3jvv h ASP 317 N -0.20 0.60 0.00 1.25 5.19 -1.93 -1.06 116.42 120.28 3jvv h ASP 317 Ca 0.12 0.05 0.03 0.00 -0.62 0.00 0.00 57.03 56.61 3jvv h ASP 317 Cb 0.38 -0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.79 3jvv h ASP 317 CO -0.32 0.35 -0.20 0.24 -3.12 0.00 0.00 179.24 176.19 3jvv h MET 318 N 0.73 -0.31 -0.95 3.56 2.86 -1.79 -1.94 114.93 117.09 3jvv h MET 318 Ca 0.37 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 58.12 3jvv h MET 318 Cb 0.32 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.98 3jvv h MET 318 CO -0.24 -0.21 0.61 0.00 1.06 0.00 0.00 176.91 178.14 3jvv h LEU 320 N 1.01 0.00 -0.11 0.00 3.38 -0.43 -1.09 115.31 118.07 3jvv h LEU 320 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3jvv h LEU 320 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3jvv h LEU 320 CO -0.19 0.00 -0.03 0.29 0.09 0.00 0.00 178.44 178.60 3jvv n LYS 321 N -2.93 0.75 -3.05 1.13 5.02 0.24 -5.01 118.16 114.33 3jvv n LYS 321 Ca -0.02 -0.11 -0.31 0.00 -2.02 0.00 0.00 58.31 55.85 3jvv n LYS 321 Cb 0.12 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.59 3jvv n LYS 321 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3jvv s GLY 322 N -2.32 2.05 0.00 0.72 0.00 -0.42 -5.13 107.32 102.21 3jvv s GLY 322 Ca 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.86 3jvv s GLY 322 CO 0.43 -0.04 0.00 1.04 0.00 0.00 0.00 173.10 174.53 3jvv n LEU 328 N -0.93 0.00 -4.09 0.66 7.99 -1.26 -5.17 117.00 114.19 3jvv n LEU 328 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.89 3jvv n LEU 328 Cb 0.54 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.73 3jvv n LEU 328 CO 0.46 0.00 -0.41 0.27 -1.51 0.00 0.00 177.39 176.21 3jvv s ILE 329 N -1.88 0.64 0.28 -0.08 -4.36 -1.26 0.16 121.20 114.70 3jvv s ILE 329 Ca 0.00 -1.26 -0.29 0.00 -0.26 0.00 0.00 60.65 58.84 3jvv s ILE 329 Cb 0.00 -0.85 -0.10 0.00 1.25 0.00 0.00 42.46 42.76 3jvv s ILE 329 CO 0.00 -0.45 1.17 -0.55 0.24 0.00 0.00 174.94 175.35 3jvv s SER 330 N -1.86 7.10 0.34 4.36 0.15 -1.26 -4.83 113.70 117.70 3jvv s SER 330 Ca -0.05 2.38 0.09 0.00 0.70 0.00 0.00 55.95 59.07 3jvv s SER 330 Cb -0.07 -2.63 0.82 0.00 -1.71 0.00 0.00 66.02 62.43 3jvv s SER 330 CO -0.00 -0.29 1.83 -0.09 1.20 0.00 0.00 173.24 175.89 3jvv h ARG 331 N 3.93 0.67 0.02 5.44 2.43 -1.98 0.40 114.38 125.29 3jvv h ARG 331 Ca -0.47 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3jvv h ARG 331 Cb 1.22 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3jvv h ARG 331 CO 0.68 0.44 -0.01 0.93 -1.51 0.00 0.00 179.97 180.50 3jvv h GLU 332 N 0.69 -0.03 -0.86 0.20 5.08 -1.99 -0.50 114.58 117.17 3jvv h GLU 332 Ca 0.50 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 59.08 3jvv h GLU 332 Cb 0.85 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.98 3jvv h GLU 332 CO -0.26 0.52 0.31 -0.91 -1.00 0.00 0.00 179.01 177.67 3jvv h ASN 333 N -0.60 0.18 -0.21 1.42 4.21 -1.76 0.12 115.58 118.95 3jvv h ASN 333 Ca -0.00 0.16 0.01 0.00 1.21 0.00 0.00 56.30 57.68 3jvv h ASN 333 Cb 0.56 0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.93 3jvv h ASN 333 CO 0.00 -0.05 0.11 0.00 -1.29 0.00 0.00 177.43 176.20 3jvv h ALA 334 N 1.71 0.25 0.00 -0.83 0.00 0.06 -2.71 119.26 117.74 3jvv h ALA 334 Ca 0.53 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.38 3jvv h ALA 334 Cb 1.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3jvv h ALA 334 CO -0.56 -0.30 -0.32 0.00 0.00 0.00 0.00 179.25 178.07 3jvv h ARG 335 N 0.23 0.00 -0.77 0.00 2.47 0.74 -1.26 114.38 115.79 3jvv h ARG 335 Ca 0.08 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 58.96 3jvv h ARG 335 Cb 0.01 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.28 3jvv h ARG 335 CO -0.05 0.32 0.52 1.49 0.56 0.00 0.00 179.97 182.80 3jvv h GLU 336 N 0.00 0.38 -0.25 0.04 4.81 -0.53 -2.95 114.58 116.08 3jvv h GLU 336 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3jvv h GLU 336 Cb 0.58 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3jvv h GLU 336 CO 0.04 0.25 0.00 1.63 -0.73 0.00 0.00 179.01 180.20 3jvv n LYS 337 N -4.47 2.16 -2.99 1.92 5.02 -0.53 -5.01 118.16 114.26 3jvv n LYS 337 Ca 0.15 -1.78 -0.38 0.00 -2.02 0.00 0.00 58.31 54.28 3jvv n LYS 337 Cb 0.57 -1.25 -0.06 0.00 -0.02 0.00 0.00 35.03 34.27 3jvv n LYS 337 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3jvv s ALA 338 N -0.98 3.41 0.22 7.82 0.00 -0.89 -4.95 121.76 126.40 3jvv s ALA 338 Ca 0.20 0.32 -0.09 0.00 0.00 0.00 0.00 51.96 52.40 3jvv s ALA 338 Cb 0.11 -2.94 0.19 0.00 0.00 0.00 0.00 23.12 20.48 3jvv s ALA 338 CO 0.15 0.29 1.89 -0.22 0.00 0.00 0.00 175.76 177.88 3jvv h LYS 339 N 3.94 1.12 -3.92 0.00 3.64 -1.92 -3.37 116.57 116.07 3jvv h LYS 339 Ca -0.47 -0.07 -0.64 0.00 -1.27 0.00 0.00 60.65 58.19 3jvv h LYS 339 Cb 1.20 -0.25 -0.40 0.00 -0.41 0.00 0.00 32.23 32.37 3jvv h LYS 339 CO 0.66 0.75 -0.69 0.42 -2.27 0.00 0.00 179.45 178.32 3jvv s ILE 340 N -6.10 2.25 0.03 2.00 1.01 -1.26 -5.09 121.20 114.04 3jvv s ILE 340 Ca -0.13 -2.72 -0.30 0.00 0.00 0.00 0.00 60.65 57.49 3jvv s ILE 340 Cb 0.16 -2.61 -0.07 0.00 0.01 0.00 0.00 42.46 39.94 3jvv s ILE 340 CO 0.80 -0.71 1.65 -2.16 0.00 0.00 0.00 174.94 174.51 3jvv s PRO 341 N 0.39 4.20 0.00 2.79 0.04 -1.26 -5.08 135.00 136.08 3jvv s PRO 341 Ca 0.14 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.46 3jvv s PRO 341 Cb -0.22 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.59 3jvv s PRO 341 CO -0.05 -0.76 0.00 -0.85 0.04 0.00 0.00 177.00 175.38