#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjv s GLY 9 N 0.00 -0.30 0.00 -0.02 0.00 -1.26 -5.09 107.32 100.65 1sjv s GLY 9 Ca 0.00 0.37 -0.20 0.00 0.00 0.00 0.00 44.72 44.90 1sjv s GLY 9 CO 0.00 0.10 0.43 -0.32 0.00 0.00 0.00 173.10 173.31 1sjv s GLY 10 N -2.81 -0.30 -0.13 0.20 0.00 -1.26 -5.14 107.32 97.88 1sjv s GLY 10 Ca 0.10 0.54 0.03 0.00 0.00 0.00 0.00 44.72 45.39 1sjv s GLY 10 CO -0.01 0.28 -0.22 -2.27 0.00 0.00 0.00 173.10 170.88 1sjv s LEU 11 N -1.57 2.12 0.15 0.66 0.20 -1.26 -5.12 118.68 113.86 1sjv s LEU 11 Ca -0.10 -0.58 0.10 0.00 0.69 0.00 0.00 54.13 54.24 1sjv s LEU 11 Cb -0.02 -1.44 -0.04 0.00 -0.43 0.00 0.00 46.19 44.26 1sjv s LEU 11 CO 0.03 0.11 -0.23 0.68 -0.29 0.00 0.00 176.35 176.64 1sjv s VAL 12 N 0.66 2.09 0.36 1.68 -7.23 -1.26 -5.12 120.40 111.59 1sjv s VAL 12 Ca -0.11 -1.81 -0.28 0.00 -1.81 0.00 0.00 61.98 57.98 1sjv s VAL 12 Cb -0.16 -1.91 -0.10 0.00 0.56 0.00 0.00 36.38 34.77 1sjv s VAL 12 CO 0.02 -0.06 1.35 -1.58 -0.31 0.00 0.00 175.10 174.51 1sjv s GLN 13 N -2.30 4.19 0.22 4.82 0.74 -1.26 -4.95 119.66 121.12 1sjv s GLN 13 Ca 0.14 2.29 -0.32 0.00 0.05 0.00 0.00 55.36 57.52 1sjv s GLN 13 Cb -0.09 -2.96 -0.14 0.00 1.10 0.00 0.00 33.01 30.93 1sjv s GLN 13 CO 0.07 -0.35 1.42 0.00 -0.55 0.00 0.00 175.29 175.87 1sjv n ALA 14 N 0.53 1.01 0.00 1.58 0.00 -1.26 -2.07 120.51 120.31 1sjv n ALA 14 Ca 0.01 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1sjv n ALA 14 Cb 0.42 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1sjv n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sjv n GLY 15 N 2.36 3.05 3.92 0.00 0.00 0.74 -4.93 105.19 110.33 1sjv n GLY 15 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1sjv n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sjv s GLU 16 N -0.58 1.59 0.22 1.61 2.02 -0.88 -3.48 118.70 119.20 1sjv s GLU 16 Ca 0.00 -0.24 0.08 0.00 0.02 0.00 0.00 54.97 54.83 1sjv s GLU 16 Cb 0.00 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 1sjv s GLU 16 CO 0.00 -1.75 0.04 -1.12 0.02 0.00 0.00 175.26 172.46 1sjv s SER 17 N -4.67 4.89 -0.12 -0.19 0.01 -1.26 -2.55 113.70 109.81 1sjv s SER 17 Ca 0.66 -0.43 -0.09 0.00 1.31 0.00 0.00 55.95 57.40 1sjv s SER 17 Cb -0.08 -1.06 0.04 0.00 0.21 0.00 0.00 66.02 65.12 1sjv s SER 17 CO 0.49 0.04 0.29 -0.22 0.41 0.00 0.00 173.24 174.25 1sjv s LEU 18 N -3.36 0.61 -0.21 2.44 2.96 -0.21 -5.00 118.68 115.91 1sjv s LEU 18 Ca 0.30 0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 54.78 1sjv s LEU 18 Cb -0.08 0.97 -0.01 0.00 0.50 0.00 0.00 46.19 47.57 1sjv s LEU 18 CO 0.21 -0.13 -0.04 -0.75 -1.32 0.00 0.00 176.35 174.31 1sjv s LYS 19 N 0.65 3.45 0.08 1.98 2.20 -1.26 -0.63 119.74 126.21 1sjv s LYS 19 Ca -0.04 -0.60 0.01 0.00 -0.36 0.00 0.00 55.97 54.98 1sjv s LYS 19 Cb -0.05 -3.00 -0.04 0.00 -1.51 0.00 0.00 37.83 33.23 1sjv s LYS 19 CO -0.04 -0.10 0.18 -0.51 -0.36 0.00 0.00 175.35 174.52 1sjv s LEU 20 N 1.23 4.20 0.04 5.43 1.43 -0.10 -4.95 118.68 125.97 1sjv s LEU 20 Ca 0.03 0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1sjv s LEU 20 Cb -0.14 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.22 1sjv s LEU 20 CO -0.01 0.16 -0.01 -0.94 0.23 0.00 0.00 176.35 175.78 1sjv s SER 21 N -2.56 0.37 -0.07 2.29 1.04 -1.26 -0.92 113.70 112.58 1sjv s SER 21 Ca 0.33 -0.79 -0.03 0.00 0.48 0.00 0.00 55.95 55.94 1sjv s SER 21 Cb -0.13 0.18 0.04 0.00 0.10 0.00 0.00 66.02 66.22 1sjv s SER 21 CO 0.26 -0.51 0.14 0.00 0.98 0.00 0.00 173.24 174.11 1sjv s ALA 23 N 1.90 3.81 0.14 0.00 0.00 -1.26 -2.44 121.76 123.90 1sjv s ALA 23 Ca -0.01 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1sjv s ALA 23 Cb -0.12 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.36 1sjv s ALA 23 CO -0.05 0.74 0.00 0.00 0.00 0.00 0.00 175.76 176.45 1sjv n ALA 24 N 0.20 -1.66 -1.21 0.00 0.00 -1.25 -4.93 120.51 111.65 1sjv n ALA 24 Ca -0.07 0.33 -0.08 0.00 0.00 0.00 0.00 53.44 53.62 1sjv n ALA 24 Cb 0.52 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 1sjv n ALA 24 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sjv n SER 26 N 1.84 -5.62 -4.52 0.00 3.41 -1.26 -4.92 113.62 102.56 1sjv n SER 26 Ca 0.00 0.20 -0.43 0.00 -0.26 0.00 0.00 58.87 58.38 1sjv n SER 26 Cb 0.00 -3.92 -0.07 0.00 -0.26 0.00 0.00 64.21 59.96 1sjv n SER 26 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1sjv s GLY 27 N -2.24 1.73 0.00 5.00 0.00 -1.26 -5.02 107.32 105.54 1sjv s GLY 27 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.49 1sjv s GLY 27 CO 0.00 1.49 0.00 0.61 0.00 0.00 0.00 173.10 175.20 1sjv n GLY 28 N 5.03 0.67 3.73 0.20 0.00 -1.26 -4.48 105.19 109.09 1sjv n GLY 28 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1sjv n GLY 28 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sjv s PHE 29 N 1.72 2.96 -0.00 1.61 5.36 -1.26 -4.28 117.98 124.09 1sjv s PHE 29 Ca 0.00 0.70 0.01 0.00 -0.96 0.00 0.00 56.93 56.68 1sjv s PHE 29 Cb 0.00 -3.97 0.00 0.00 -0.34 0.00 0.00 43.02 38.71 1sjv s PHE 29 CO 0.00 -3.43 -0.02 1.41 -1.46 0.00 0.00 175.22 171.71 1sjv s MET 30 N 0.47 0.21 0.23 10.12 1.75 -1.00 -3.01 119.30 128.07 1sjv s MET 30 Ca 0.67 -0.08 -0.22 0.00 -1.25 0.00 0.00 55.69 54.81 1sjv s MET 30 Cb -0.45 -0.22 0.05 0.00 2.84 0.00 0.00 34.83 37.05 1sjv s MET 30 CO 0.37 0.04 0.87 0.20 -0.65 0.00 0.00 175.02 175.85 1sjv s GLY 31 N 0.02 -0.08 -0.09 2.11 0.00 -0.07 -0.91 107.32 108.31 1sjv s GLY 31 Ca 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 44.72 44.58 1sjv s GLY 31 CO -0.00 0.16 -0.18 -0.98 0.00 0.00 0.00 173.10 172.09 1sjv s TRP 32 N -3.29 2.65 0.31 1.90 0.52 0.05 -0.23 118.94 120.84 1sjv s TRP 32 Ca 0.13 -0.62 0.10 0.00 0.02 0.00 0.00 56.10 55.73 1sjv s TRP 32 Cb -0.04 -1.71 -0.05 0.00 -1.15 0.00 0.00 33.47 30.52 1sjv s TRP 32 CO 0.05 -0.16 -0.07 0.71 0.02 0.00 0.00 176.95 177.50 1sjv s TYR 33 N -0.02 2.47 0.05 -1.98 1.51 -0.18 -0.29 117.35 118.91 1sjv s TYR 33 Ca -0.05 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 1sjv s TYR 33 Cb -0.15 -1.29 -0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1sjv s TYR 33 CO 0.05 0.59 -0.05 -0.98 -1.11 0.00 0.00 175.55 174.05 1sjv s ARG 34 N -3.63 0.56 -0.06 -0.62 1.70 0.22 -0.98 118.95 116.13 1sjv s ARG 34 Ca 0.33 -1.00 -0.03 0.00 -0.47 0.00 0.00 55.73 54.56 1sjv s ARG 34 Cb -0.02 0.01 0.04 0.00 -0.57 0.00 0.00 34.95 34.41 1sjv s ARG 34 CO 0.18 -0.05 0.12 -1.14 -1.08 0.00 0.00 175.30 173.33 1sjv s GLN 35 N -2.83 0.01 0.11 3.89 0.74 -0.16 -0.64 119.66 120.78 1sjv s GLN 35 Ca -0.01 0.44 -0.05 0.00 0.05 0.00 0.00 55.36 55.79 1sjv s GLN 35 Cb -0.01 -0.30 -0.05 0.00 1.10 0.00 0.00 33.01 33.75 1sjv s GLN 35 CO -0.05 -0.27 0.35 0.00 -0.55 0.00 0.00 175.29 174.77 1sjv s ALA 36 N 1.90 3.82 0.23 1.58 0.00 -1.26 -0.94 121.76 127.09 1sjv s ALA 36 Ca -0.00 -0.57 -0.31 0.00 0.00 0.00 0.00 51.96 51.07 1sjv s ALA 36 Cb -0.12 -2.10 -0.14 0.00 0.00 0.00 0.00 23.12 20.76 1sjv s ALA 36 CO -0.05 0.68 1.39 -2.30 0.00 0.00 0.00 175.76 175.48 1sjv n PRO 37 N 0.31 1.97 -0.92 0.00 -0.02 -1.26 -1.82 135.00 133.26 1sjv n PRO 37 Ca -0.04 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1sjv n PRO 37 Cb 0.52 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1sjv n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sjv n GLY 38 N 2.15 0.66 3.50 -1.23 0.00 -1.26 -5.01 105.19 103.99 1sjv n GLY 38 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1sjv n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjv s LYS 39 N -0.30 1.73 0.53 1.61 1.02 -0.76 -5.14 119.74 118.43 1sjv s LYS 39 Ca 0.00 -1.83 -0.17 0.00 0.02 0.00 0.00 55.97 53.99 1sjv s LYS 39 Cb 0.00 -1.73 -0.07 0.00 -0.52 0.00 0.00 37.83 35.50 1sjv s LYS 39 CO 0.00 0.26 1.00 -0.65 -0.92 0.00 0.00 175.35 175.04 1sjv s GLN 40 N -3.55 3.84 0.58 1.68 -1.52 -1.26 -4.62 119.66 114.80 1sjv s GLN 40 Ca 0.31 1.02 -0.20 0.00 -1.95 0.00 0.00 55.36 54.54 1sjv s GLN 40 Cb -0.02 -2.12 -0.04 0.00 -0.22 0.00 0.00 33.01 30.61 1sjv s GLN 40 CO 0.15 -0.37 1.25 -0.98 -0.25 0.00 0.00 175.29 175.10 1sjv s ARG 41 N -4.00 3.03 -0.05 2.91 1.70 -1.26 -4.68 118.95 116.59 1sjv s ARG 41 Ca 0.60 1.96 0.03 0.00 -0.47 0.00 0.00 55.73 57.85 1sjv s ARG 41 Cb -0.11 -2.05 0.01 0.00 -0.57 0.00 0.00 34.95 32.23 1sjv s ARG 41 CO 0.31 -1.20 -0.13 -1.21 -1.08 0.00 0.00 175.30 172.00 1sjv s GLU 42 N -3.16 1.51 0.27 3.89 2.02 0.19 -4.97 118.70 118.45 1sjv s GLU 42 Ca 0.75 -0.43 -0.30 0.00 0.02 0.00 0.00 54.97 55.02 1sjv s GLU 42 Cb -0.34 -1.30 -0.10 0.00 0.10 0.00 0.00 34.13 32.49 1sjv s GLU 42 CO 0.38 0.11 1.40 -1.17 0.02 0.00 0.00 175.26 175.99 1sjv s LEU 43 N 0.37 4.40 -0.18 1.80 2.96 -1.26 -0.61 118.68 126.15 1sjv s LEU 43 Ca -0.09 2.67 -0.10 0.00 -0.22 0.00 0.00 54.13 56.39 1sjv s LEU 43 Cb -0.13 -3.63 -0.08 0.00 0.50 0.00 0.00 46.19 42.85 1sjv s LEU 43 CO 0.02 -0.65 -0.25 0.52 -1.32 0.00 0.00 176.35 174.67 1sjv n VAL 44 N 1.88 1.12 -3.66 1.68 0.31 0.60 -4.50 118.33 115.75 1sjv n VAL 44 Ca 0.05 -0.21 -0.14 0.00 -0.01 0.00 0.00 64.34 64.02 1sjv n VAL 44 Cb 0.41 -1.81 -0.08 0.00 -0.91 0.00 0.00 33.84 31.44 1sjv n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sjv s ALA 45 N -2.39 -1.38 0.11 3.52 0.00 -1.11 -0.98 121.76 119.53 1sjv s ALA 45 Ca -0.26 1.35 0.04 0.00 0.00 0.00 0.00 51.96 53.09 1sjv s ALA 45 Cb 0.10 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1sjv s ALA 45 CO 0.34 -0.29 -0.11 0.95 0.00 0.00 0.00 175.76 176.65 1sjv s THR 46 N -0.23 1.08 -0.01 0.00 -4.23 -0.08 -0.77 115.64 111.40 1sjv s THR 46 Ca -0.04 -1.68 -0.01 0.00 -1.18 0.00 0.00 61.69 58.78 1sjv s THR 46 Cb -0.03 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.38 1sjv s THR 46 CO 0.03 -0.51 0.02 -0.51 -0.54 0.00 0.00 174.62 173.11 1sjv s ILE 47 N -2.36 0.01 0.40 2.99 2.07 -0.08 -1.14 121.20 123.08 1sjv s ILE 47 Ca 0.07 -0.06 0.05 0.00 -1.41 0.00 0.00 60.65 59.30 1sjv s ILE 47 Cb -0.03 -0.06 0.05 0.00 0.13 0.00 0.00 42.46 42.54 1sjv s ILE 47 CO 0.01 -0.03 0.41 -0.46 -1.91 0.00 0.00 174.94 172.96 1sjv n ASN 48 N 2.96 1.92 0.24 4.50 0.23 -0.68 -2.36 115.26 122.07 1sjv n ASN 48 Ca -0.13 -2.23 0.11 0.00 -0.53 0.00 0.00 54.58 51.80 1sjv n ASN 48 Cb 0.59 -0.15 0.58 0.00 -2.08 0.00 0.00 39.78 38.73 1sjv n ASN 48 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1sjv h SER 49 N 0.29 0.00 0.07 0.53 4.64 -1.79 -1.27 113.55 116.03 1sjv h SER 49 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1sjv h SER 49 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1sjv h SER 49 CO 0.34 0.19 -0.03 0.54 -0.87 0.00 0.00 176.83 176.99 1sjv n ARG 50 N -3.53 1.21 -0.57 4.77 1.74 -1.26 -4.91 116.66 114.12 1sjv n ARG 50 Ca -0.01 -0.47 0.00 0.00 -0.77 0.00 0.00 57.85 56.61 1sjv n ARG 50 Cb 0.34 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 1sjv n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sjv n GLY 51 N 1.14 0.74 3.69 -0.13 0.00 -0.48 -5.03 105.19 105.12 1sjv n GLY 51 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1sjv n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sjv s ILE 52 N -2.40 4.22 0.27 -0.61 1.01 -1.26 -4.78 121.20 117.64 1sjv s ILE 52 Ca 0.00 1.55 0.07 0.00 0.00 0.00 0.00 60.65 62.27 1sjv s ILE 52 Cb 0.00 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 1sjv s ILE 52 CO 0.00 0.02 0.25 0.42 0.00 0.00 0.00 174.94 175.63 1sjv s THR 53 N 2.00 4.44 -0.01 2.92 -4.23 -1.26 -1.68 115.64 117.81 1sjv s THR 53 Ca 0.57 -1.31 -0.16 0.00 -1.18 0.00 0.00 61.69 59.61 1sjv s THR 53 Cb -0.26 -3.45 0.03 0.00 1.34 0.00 0.00 72.50 70.16 1sjv s THR 53 CO 0.23 -0.31 0.34 0.21 -0.54 0.00 0.00 174.62 174.56 1sjv s ASN 54 N -3.90 -0.23 0.03 3.99 3.04 -0.29 -4.97 114.94 112.60 1sjv s ASN 54 Ca 0.35 0.12 0.02 0.00 0.04 0.00 0.00 52.86 53.39 1sjv s ASN 54 Cb -0.08 0.33 -0.02 0.00 -1.54 0.00 0.00 41.25 39.95 1sjv s ASN 54 CO 0.26 -0.48 -0.08 -0.31 -3.04 0.00 0.00 177.10 173.46 1sjv s TYR 55 N -1.41 0.67 0.81 0.43 2.02 -1.26 -0.91 117.35 117.69 1sjv s TYR 55 Ca -0.13 -0.35 -0.13 0.00 -0.37 0.00 0.00 57.07 56.09 1sjv s TYR 55 Cb -0.04 -0.40 0.08 0.00 -0.40 0.00 0.00 41.96 41.19 1sjv s TYR 55 CO 0.04 -0.05 1.17 0.00 -1.57 0.00 0.00 175.55 175.15 1sjv s ALA 56 N -0.93 1.89 0.47 3.71 0.00 -0.15 -4.92 121.76 121.83 1sjv s ALA 56 Ca -0.05 0.70 0.16 0.00 0.00 0.00 0.00 51.96 52.77 1sjv s ALA 56 Cb -0.07 -3.44 1.15 0.00 0.00 0.00 0.00 23.12 20.76 1sjv s ALA 56 CO 0.00 -2.21 2.03 -0.44 0.00 0.00 0.00 175.76 175.15 1sjv h ASP 57 N -1.01 0.21 0.77 0.00 3.32 -1.91 -1.86 116.42 115.95 1sjv h ASP 57 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1sjv h ASP 57 Cb 1.28 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1sjv h ASP 57 CO 0.47 0.14 0.00 2.22 -1.72 0.00 0.00 179.24 180.34 1sjv n PHE 58 N -4.46 0.12 -0.08 4.55 1.16 -1.26 -3.72 117.46 113.77 1sjv n PHE 58 Ca 0.06 0.04 -0.13 0.00 -1.87 0.00 0.00 57.45 55.55 1sjv n PHE 58 Cb 0.33 -0.57 -0.06 0.00 -1.61 0.00 0.00 39.48 37.57 1sjv n PHE 58 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 1sjv h VAL 59 N 0.00 1.32 -6.21 1.97 2.07 -1.68 -3.47 116.25 110.24 1sjv h VAL 59 Ca 0.00 -1.35 -0.47 0.00 0.82 0.00 0.00 66.70 65.70 1sjv h VAL 59 Cb 0.39 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1sjv h VAL 59 CO 0.00 0.42 -0.74 0.29 0.02 0.00 0.00 177.57 177.55 1sjv n LYS 60 N -4.42 -5.56 -0.99 1.57 4.01 -1.24 -1.89 118.16 109.63 1sjv n LYS 60 Ca -0.05 0.61 0.00 0.00 -0.51 0.00 0.00 58.31 58.36 1sjv n LYS 60 Cb 0.40 -5.51 0.00 0.00 -0.51 0.00 0.00 35.03 29.42 1sjv n LYS 60 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1sjv n GLY 61 N -1.69 0.52 0.12 0.72 0.00 -1.26 -4.89 105.19 98.71 1sjv n GLY 61 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 1sjv n GLY 61 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sjv h ARG 62 N 1.21 0.00 -6.63 1.61 3.08 -1.70 -3.47 114.38 108.49 1sjv h ARG 62 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 1sjv h ARG 62 Cb 0.09 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 29.97 1sjv h ARG 62 CO 0.00 0.10 -0.78 -0.06 -1.07 0.00 0.00 179.97 178.16 1sjv s PHE 63 N -3.22 2.57 -0.07 3.04 0.08 -1.26 -1.49 117.98 117.62 1sjv s PHE 63 Ca -0.00 -0.25 -0.00 0.00 0.12 0.00 0.00 56.93 56.80 1sjv s PHE 63 Cb 0.09 -1.33 0.02 0.00 -0.57 0.00 0.00 43.02 41.23 1sjv s PHE 63 CO 0.78 0.43 -0.04 0.99 -0.10 0.00 0.00 175.22 177.28 1sjv s THR 64 N -1.32 0.66 -0.11 0.64 2.01 0.16 -4.99 115.64 112.70 1sjv s THR 64 Ca 0.20 -0.11 -0.10 0.00 0.31 0.00 0.00 61.69 61.99 1sjv s THR 64 Cb -0.10 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 71.64 1sjv s THR 64 CO 0.12 0.29 0.23 -0.51 -0.69 0.00 0.00 174.62 174.05 1sjv s ILE 65 N 1.50 5.35 0.09 1.82 2.07 -1.26 -0.59 121.20 130.18 1sjv s ILE 65 Ca -0.01 0.41 -0.07 0.00 -1.41 0.00 0.00 60.65 59.58 1sjv s ILE 65 Cb -0.13 -3.52 -0.01 0.00 0.13 0.00 0.00 42.46 38.92 1sjv s ILE 65 CO -0.04 0.55 0.15 -0.94 -1.91 0.00 0.00 174.94 172.75 1sjv s SER 66 N -0.65 0.20 -0.11 4.50 1.04 -0.94 -5.00 113.70 112.74 1sjv s SER 66 Ca 0.17 -0.79 -0.00 0.00 0.48 0.00 0.00 55.95 55.80 1sjv s SER 66 Cb -0.13 0.32 -0.02 0.00 0.10 0.00 0.00 66.02 66.29 1sjv s SER 66 CO 0.06 -0.72 -0.10 -0.13 0.98 0.00 0.00 173.24 173.33 1sjv s ARG 67 N -3.90 3.19 -0.52 4.02 0.52 -1.26 -1.18 118.95 119.82 1sjv s ARG 67 Ca 0.08 -0.61 -0.14 0.00 -0.52 0.00 0.00 55.73 54.53 1sjv s ARG 67 Cb 0.05 -2.66 0.13 0.00 0.52 0.00 0.00 34.95 32.99 1sjv s ARG 67 CO -0.08 0.38 0.46 0.34 0.02 0.00 0.00 175.30 176.41 1sjv s ASP 68 N -0.06 6.07 0.50 0.23 2.15 0.30 -4.98 116.67 120.88 1sjv s ASP 68 Ca -0.01 -1.80 0.34 0.00 0.43 0.00 0.00 52.55 51.51 1sjv s ASP 68 Cb -0.14 -2.16 1.74 0.00 -0.30 0.00 0.00 42.92 42.07 1sjv s ASP 68 CO 0.03 -0.81 2.03 0.78 -0.17 0.00 0.00 175.17 177.03 1sjv h ASN 69 N 8.78 0.00 0.04 -0.34 2.35 -1.95 -1.81 115.58 122.65 1sjv h ASN 69 Ca -0.28 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.32 1sjv h ASN 69 Cb 1.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 1sjv h ASN 69 CO 0.99 0.00 -0.52 0.00 -1.65 0.00 0.00 177.43 176.25 1sjv h ALA 70 N 2.03 0.75 0.00 -0.83 0.00 -1.93 -3.36 119.26 115.92 1sjv h ALA 70 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1sjv h ALA 70 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1sjv h ALA 70 CO 0.00 0.68 -1.61 1.63 0.00 0.00 0.00 179.25 179.95 1sjv n LYS 71 N -3.97 0.46 -0.63 0.00 5.02 -0.70 -4.95 118.16 113.38 1sjv n LYS 71 Ca -0.03 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 1sjv n LYS 71 Cb 0.58 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 1sjv n LYS 71 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1sjv n LYS 72 N -1.97 -0.16 -2.46 1.97 5.02 -1.07 -4.25 118.16 115.25 1sjv n LYS 72 Ca -0.01 0.04 -0.40 0.00 -2.02 0.00 0.00 58.31 55.92 1sjv n LYS 72 Cb 0.47 -4.18 -0.04 0.00 -0.02 0.00 0.00 35.03 31.26 1sjv n LYS 72 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1sjv s THR 73 N -1.52 3.48 0.08 -0.18 -1.32 -1.25 -3.95 115.64 110.99 1sjv s THR 73 Ca 0.00 1.47 0.02 0.00 -1.21 0.00 0.00 61.69 61.97 1sjv s THR 73 Cb 0.00 -3.94 -0.04 0.00 -1.51 0.00 0.00 72.50 67.01 1sjv s THR 73 CO 0.00 0.34 0.14 0.68 -2.21 0.00 0.00 174.62 173.57 1sjv s VAL 74 N -1.07 4.89 0.10 5.08 -7.23 -1.02 -0.54 120.40 120.61 1sjv s VAL 74 Ca 0.45 -0.64 0.05 0.00 -1.81 0.00 0.00 61.98 60.03 1sjv s VAL 74 Cb -0.32 -3.39 -0.03 0.00 0.56 0.00 0.00 36.38 33.20 1sjv s VAL 74 CO 0.41 0.11 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.87 1sjv s TYR 75 N -1.47 1.22 -0.25 2.82 2.02 -0.32 -2.02 117.35 119.35 1sjv s TYR 75 Ca 0.32 -0.55 -0.00 0.00 -0.37 0.00 0.00 57.07 56.46 1sjv s TYR 75 Cb -0.12 -0.66 0.07 0.00 -0.40 0.00 0.00 41.96 40.85 1sjv s TYR 75 CO 0.25 0.07 0.01 -1.17 -1.57 0.00 0.00 175.55 173.13 1sjv s LEU 76 N -2.21 2.32 -0.32 -1.29 2.96 -0.10 -2.21 118.68 117.82 1sjv s LEU 76 Ca 0.04 -1.25 -0.23 0.00 -0.22 0.00 0.00 54.13 52.47 1sjv s LEU 76 Cb -0.06 -1.00 0.00 0.00 0.50 0.00 0.00 46.19 45.63 1sjv s LEU 76 CO 0.02 -0.30 0.74 -0.70 -1.32 0.00 0.00 176.35 174.79 1sjv s GLU 77 N 1.52 3.88 -0.34 1.98 -6.30 0.24 -0.92 118.70 118.76 1sjv s GLU 77 Ca -0.00 0.42 -0.07 0.00 -2.50 0.00 0.00 54.97 52.82 1sjv s GLU 77 Cb -0.18 -3.75 0.04 0.00 0.00 0.00 0.00 34.13 30.23 1sjv s GLU 77 CO -0.11 -0.70 0.11 -1.64 0.02 0.00 0.00 175.26 172.94 1sjv s MET 78 N 2.91 2.66 0.27 4.30 -1.94 0.20 -0.67 119.30 127.04 1sjv s MET 78 Ca 0.30 -1.15 0.06 0.00 -1.71 0.00 0.00 55.69 53.19 1sjv s MET 78 Cb -0.14 -3.47 -0.02 0.00 2.01 0.00 0.00 34.83 33.21 1sjv s MET 78 CO 0.14 -0.65 0.38 -0.80 -0.01 0.00 0.00 175.02 174.07 1sjv s ASN 79 N 1.42 6.14 -1.40 3.03 0.01 -0.56 -1.05 114.94 122.53 1sjv s ASN 79 Ca -0.01 -0.04 -0.03 0.00 -0.71 0.00 0.00 52.86 52.07 1sjv s ASN 79 Cb -0.19 -1.63 0.02 0.00 0.41 0.00 0.00 41.25 39.86 1sjv s ASN 79 CO 0.03 -0.18 0.62 -1.20 -1.51 0.00 0.00 177.10 174.86 1sjv n SER 80 N -1.46 -1.41 -4.76 -1.22 7.64 -1.17 -4.70 113.62 106.54 1sjv n SER 80 Ca -0.06 -0.91 -0.38 0.00 1.01 0.00 0.00 58.87 58.54 1sjv n SER 80 Cb 0.57 -3.53 0.03 0.00 -1.01 0.00 0.00 64.21 60.27 1sjv n SER 80 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1sjv s LEU 81 N -6.91 3.87 0.18 -3.43 1.43 -1.06 -4.61 118.68 108.15 1sjv s LEU 81 Ca 0.14 2.59 0.08 0.00 -1.03 0.00 0.00 54.13 55.90 1sjv s LEU 81 Cb -0.07 -4.31 -0.04 0.00 0.03 0.00 0.00 46.19 41.79 1sjv s LEU 81 CO 0.85 -1.40 -0.15 -1.61 0.23 0.00 0.00 176.35 174.27 1sjv s GLU 82 N -2.91 1.27 0.41 1.70 2.02 -1.26 -0.18 118.70 119.74 1sjv s GLU 82 Ca 0.70 -1.50 0.18 0.00 0.02 0.00 0.00 54.97 54.38 1sjv s GLU 82 Cb -0.36 -1.13 1.09 0.00 0.10 0.00 0.00 34.13 33.83 1sjv s GLU 82 CO 0.42 0.20 1.81 -1.35 0.02 0.00 0.00 175.26 176.36 1sjv h PRO 83 N 2.85 0.40 0.00 0.39 0.11 -1.97 0.58 132.00 134.36 1sjv h PRO 83 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1sjv h PRO 83 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1sjv h PRO 83 CO 0.58 0.26 0.00 -0.85 -0.21 0.00 0.00 178.00 177.78 1sjv n GLU 84 N -4.56 0.16 0.00 1.05 0.28 -1.26 -1.92 120.64 114.39 1sjv n GLU 84 Ca 0.22 0.41 0.15 0.00 -0.16 0.00 0.00 57.16 57.78 1sjv n GLU 84 Cb 0.79 -1.81 0.83 0.00 1.43 0.00 0.00 31.44 32.68 1sjv n GLU 84 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1sjv n ASP 85 N -2.11 0.00 -4.67 -1.84 8.00 0.20 -4.87 116.55 111.25 1sjv n ASP 85 Ca 0.02 -0.59 -0.42 0.00 0.71 0.00 0.00 54.79 54.51 1sjv n ASP 85 Cb 0.21 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 1sjv n ASP 85 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1sjv s THR 86 N -2.25 2.97 -0.08 -3.53 2.01 -0.81 -4.91 115.64 109.04 1sjv s THR 86 Ca 0.38 0.21 -0.32 0.00 0.31 0.00 0.00 61.69 62.27 1sjv s THR 86 Cb 0.20 -3.14 0.14 0.00 0.01 0.00 0.00 72.50 69.71 1sjv s THR 86 CO 0.39 -0.01 1.37 0.00 -0.69 0.00 0.00 174.62 175.68 1sjv s ALA 87 N 3.59 -2.37 -0.17 7.40 0.00 -1.26 -4.62 121.76 124.32 1sjv s ALA 87 Ca 0.81 0.94 -0.21 0.00 0.00 0.00 0.00 51.96 53.50 1sjv s ALA 87 Cb -0.42 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1sjv s ALA 87 CO 0.37 -1.01 0.65 0.08 0.00 0.00 0.00 175.76 175.85 1sjv s VAL 88 N -2.20 5.02 -0.11 0.00 1.01 -0.11 -4.89 120.40 119.12 1sjv s VAL 88 Ca 0.14 1.25 -0.05 0.00 0.00 0.00 0.00 61.98 63.33 1sjv s VAL 88 Cb 0.06 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1sjv s VAL 88 CO -0.05 0.14 0.06 -0.31 0.00 0.00 0.00 175.10 174.94 1sjv s TYR 89 N 1.67 3.34 -0.00 5.22 1.51 -1.26 -0.99 117.35 126.83 1sjv s TYR 89 Ca 0.31 0.30 -0.06 0.00 -1.01 0.00 0.00 57.07 56.60 1sjv s TYR 89 Cb -0.16 -1.89 0.00 0.00 -0.11 0.00 0.00 41.96 39.80 1sjv s TYR 89 CO 0.12 0.52 0.12 1.52 -1.11 0.00 0.00 175.55 176.72 1sjv s TYR 90 N -0.74 0.04 0.31 2.71 -0.85 -0.15 -5.00 117.35 113.67 1sjv s TYR 90 Ca 0.12 -0.12 -0.16 0.00 -0.52 0.00 0.00 57.07 56.39 1sjv s TYR 90 Cb -0.12 -0.05 -0.09 0.00 0.38 0.00 0.00 41.96 42.08 1sjv s TYR 90 CO 0.03 -0.26 0.75 0.00 -1.52 0.00 0.00 175.55 174.55 1sjv s TYR 92 N -1.92 -0.14 0.04 0.00 6.14 0.68 -4.93 117.35 117.21 1sjv s TYR 92 Ca 0.53 0.32 -0.06 0.00 0.64 0.00 0.00 57.07 58.50 1sjv s TYR 92 Cb -0.11 0.04 -0.01 0.00 0.42 0.00 0.00 41.96 42.30 1sjv s TYR 92 CO 0.18 -0.19 0.10 -0.08 0.64 0.00 0.00 175.55 176.20 1sjv s THR 93 N -0.49 0.13 0.13 4.34 -1.32 -1.26 -0.89 115.64 116.29 1sjv s THR 93 Ca -0.06 -1.09 0.01 0.00 -1.21 0.00 0.00 61.69 59.35 1sjv s THR 93 Cb -0.04 -0.90 -0.04 0.00 -1.51 0.00 0.00 72.50 70.01 1sjv s THR 93 CO 0.01 -0.60 -0.02 -1.38 -2.21 0.00 0.00 174.62 170.42 1sjv s HIS 94 N -2.61 1.00 -0.03 9.09 -3.43 -1.16 -5.04 115.29 113.11 1sjv s HIS 94 Ca -0.05 -1.01 0.02 0.00 -0.80 0.00 0.00 55.06 53.22 1sjv s HIS 94 Cb -0.01 -0.58 0.00 0.00 -1.43 0.00 0.00 32.58 30.57 1sjv s HIS 94 CO -0.05 -0.24 -0.09 0.71 -2.00 0.00 0.00 174.74 173.07 1sjv s TYR 95 N -3.71 0.99 -0.08 0.38 1.51 -1.26 -4.10 117.35 111.08 1sjv s TYR 95 Ca 0.18 -0.26 -0.07 0.00 -1.01 0.00 0.00 57.07 55.91 1sjv s TYR 95 Cb 0.06 -0.72 0.02 0.00 -0.11 0.00 0.00 41.96 41.22 1sjv s TYR 95 CO -0.00 -0.12 0.21 0.12 -1.11 0.00 0.00 175.55 174.64 1sjv s PHE 96 N 0.26 -0.23 0.17 2.71 5.36 -1.26 -5.16 117.98 119.82 1sjv s PHE 96 Ca -0.04 0.57 -0.17 0.00 -0.96 0.00 0.00 56.93 56.33 1sjv s PHE 96 Cb -0.09 0.07 0.03 0.00 -0.34 0.00 0.00 43.02 42.68 1sjv s PHE 96 CO 0.01 -0.12 0.47 -0.98 -1.46 0.00 0.00 175.22 173.13 1sjv s ARG 97 N 0.24 1.25 0.05 10.12 1.70 -1.26 -5.17 118.95 125.88 1sjv s ARG 97 Ca -0.01 -0.81 0.01 0.00 -0.47 0.00 0.00 55.73 54.44 1sjv s ARG 97 Cb -0.03 0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 34.82 1sjv s ARG 97 CO -0.01 -0.51 -0.05 -1.54 -1.08 0.00 0.00 175.30 172.11 1sjv s SER 98 N -2.85 0.63 0.05 -2.89 1.04 -1.26 -5.16 113.70 103.26 1sjv s SER 98 Ca 0.07 -0.71 0.04 0.00 0.48 0.00 0.00 55.95 55.84 1sjv s SER 98 Cb 0.00 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 1sjv s SER 98 CO -0.06 -0.36 -0.13 -0.31 0.98 0.00 0.00 173.24 173.35 1sjv s TYR 99 N -2.34 1.11 0.03 5.02 4.12 -1.26 -5.16 117.35 118.88 1sjv s TYR 99 Ca -0.05 -0.42 -0.04 0.00 0.02 0.00 0.00 57.07 56.59 1sjv s TYR 99 Cb -0.04 -0.64 -0.01 0.00 -1.52 0.00 0.00 41.96 39.75 1sjv s TYR 99 CO -0.03 0.03 0.06 1.67 0.02 0.00 0.00 175.55 177.30 1sjv s TRP 100 N -1.10 0.24 0.84 2.71 -2.14 -1.26 -5.16 118.94 113.06 1sjv s TRP 100 Ca -0.02 -0.55 -0.11 0.00 2.66 0.00 0.00 56.10 58.09 1sjv s TRP 100 Cb -0.09 -0.17 0.14 0.00 -3.10 0.00 0.00 33.47 30.25 1sjv s TRP 100 CO 0.02 -0.33 1.18 0.20 -2.66 0.00 0.00 176.95 175.35 1sjv s GLY 101 N -2.06 1.72 0.40 3.67 0.00 -1.26 -5.02 107.32 104.77 1sjv s GLY 101 Ca -0.06 -1.13 -0.26 0.00 0.00 0.00 0.00 44.72 43.27 1sjv s GLY 101 CO -0.04 -0.53 1.24 1.20 0.00 0.00 0.00 173.10 174.97 1sjv s GLN 102 N -5.57 4.03 0.79 2.90 1.11 -1.26 -4.99 119.66 116.67 1sjv s GLN 102 Ca 0.68 2.00 -0.11 0.00 0.01 0.00 0.00 55.36 57.93 1sjv s GLN 102 Cb -0.07 -2.74 0.06 0.00 -1.01 0.00 0.00 33.01 29.26 1sjv s GLN 102 CO 0.49 -0.39 1.09 0.20 0.01 0.00 0.00 175.29 176.69 1sjv s GLY 103 N -0.92 1.63 -0.07 3.09 0.00 -1.26 -5.06 107.32 104.73 1sjv s GLY 103 Ca 0.56 -0.13 0.04 0.00 0.00 0.00 0.00 44.72 45.20 1sjv s GLY 103 CO 0.44 0.28 -0.21 -1.08 0.00 0.00 0.00 173.10 172.53 1sjv s THR 104 N -3.11 1.79 -0.06 0.90 -1.32 -1.26 -5.10 115.64 107.48 1sjv s THR 104 Ca 0.61 -0.89 -0.30 0.00 -1.21 0.00 0.00 61.69 59.90 1sjv s THR 104 Cb -0.15 -1.54 -0.04 0.00 -1.51 0.00 0.00 72.50 69.26 1sjv s THR 104 CO 0.55 0.50 1.29 -1.58 -2.21 0.00 0.00 174.62 173.17 1sjv s GLN 105 N 0.21 4.30 -0.24 7.08 2.00 -1.26 -5.01 119.66 126.75 1sjv s GLN 105 Ca -0.12 1.78 -0.02 0.00 -2.00 0.00 0.00 55.36 55.01 1sjv s GLN 105 Cb -0.15 -3.62 0.02 0.00 0.80 0.00 0.00 33.01 30.05 1sjv s GLN 105 CO 0.06 -0.55 -0.07 0.08 -0.50 0.00 0.00 175.29 174.31 1sjv s VAL 106 N 2.59 2.93 -0.13 1.34 1.01 -1.26 -5.10 120.40 121.79 1sjv s VAL 106 Ca 0.59 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 1sjv s VAL 106 Cb -0.27 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1sjv s VAL 106 CO 0.22 0.28 -0.12 -0.89 0.00 0.00 0.00 175.10 174.59 1sjv s THR 107 N 1.36 3.14 -0.21 3.92 2.01 -1.26 -5.09 115.64 119.50 1sjv s THR 107 Ca 0.02 -0.64 -0.00 0.00 0.31 0.00 0.00 61.69 61.38 1sjv s THR 107 Cb -0.16 -2.32 0.02 0.00 0.01 0.00 0.00 72.50 70.06 1sjv s THR 107 CO -0.05 0.53 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.59 1sjv s VAL 108 N 0.27 2.54 -0.24 3.82 1.01 -1.26 -5.09 120.40 121.45 1sjv s VAL 108 Ca -0.09 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 60.86 1sjv s VAL 108 Cb -0.15 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1sjv s VAL 108 CO 0.05 0.37 0.11 -0.94 0.00 0.00 0.00 175.10 174.69 1sjv s SER 109 N 1.32 5.62 0.00 3.32 1.04 -1.26 -5.37 113.70 118.37 1sjv s SER 109 Ca 0.02 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1sjv s SER 109 Cb -0.15 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 63.96 1sjv s SER 109 CO -0.08 0.02 0.00 -1.20 0.98 0.00 0.00 173.24 172.96