#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j4m s MET 2 N 0.00 0.33 -0.07 0.00 0.23 -1.21 -5.03 119.30 113.56 2j4m s MET 2 Ca 0.00 0.09 0.05 0.00 -1.03 0.00 0.00 55.69 54.81 2j4m s MET 2 Cb 0.00 0.09 0.12 0.00 -1.53 0.00 0.00 34.83 33.51 2j4m s MET 2 CO 0.00 -0.55 1.12 0.00 -2.03 0.00 0.00 175.02 173.56 2j4m n ALA 3 N 4.65 3.46 -1.18 3.16 0.00 0.50 -4.85 120.51 126.24 2j4m n ALA 3 Ca 0.08 -0.94 -0.30 0.00 0.00 0.00 0.00 53.44 52.27 2j4m n ALA 3 Cb 0.59 -0.47 0.13 0.00 0.00 0.00 0.00 19.45 19.70 2j4m n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j4m n TRP 5 N -3.83 0.60 0.15 0.00 4.27 -1.26 -4.02 117.44 113.34 2j4m n TRP 5 Ca 0.08 0.18 0.02 0.00 -3.89 0.00 0.00 57.50 53.89 2j4m n TRP 5 Cb 0.55 -0.81 0.38 0.00 -1.36 0.00 0.00 31.31 30.06 2j4m n TRP 5 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2j4m h ALA 6 N 1.93 1.45 -0.05 -1.67 0.00 -1.94 -2.31 119.26 116.66 2j4m h ALA 6 Ca -0.03 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.64 2j4m h ALA 6 Cb 1.08 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2j4m h ALA 6 CO 0.00 0.39 0.04 -0.56 0.00 0.00 0.00 179.25 179.13 2j4m h GLN 7 N 0.14 0.00 -0.24 0.00 -0.00 -0.93 -0.70 115.11 113.38 2j4m h GLN 7 Ca 0.02 0.00 0.07 0.00 -0.00 0.00 0.00 58.65 58.74 2j4m h GLN 7 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.97 2j4m h GLN 7 CO 0.03 0.00 0.31 0.77 -0.00 0.00 0.00 178.83 179.94 2j4m h SER 8 N 0.00 0.00 0.00 0.06 0.02 -1.64 0.42 113.55 112.40 2j4m h SER 8 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2j4m h SER 8 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2j4m h SER 8 CO -0.00 0.00 -1.34 0.00 -1.14 0.00 0.00 176.83 174.35 2j4m n GLN 9 N -3.62 1.03 0.00 3.45 6.02 -0.36 -4.98 117.38 118.92 2j4m n GLN 9 Ca 0.03 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 2j4m n GLN 9 Cb 0.44 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.38 2j4m n GLN 9 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2j4m n GLY 10 N 1.51 1.83 3.57 1.08 0.00 0.14 -5.13 105.19 108.19 2j4m n GLY 10 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2j4m n GLY 10 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2j4m s TYR 11 N -2.00 3.08 0.39 1.61 1.51 -0.63 -4.92 117.35 116.38 2j4m s TYR 11 Ca 0.00 -0.09 -0.23 0.00 -1.01 0.00 0.00 57.07 55.74 2j4m s TYR 11 Cb 0.00 -1.90 -0.10 0.00 -0.11 0.00 0.00 41.96 39.85 2j4m s TYR 11 CO 0.00 0.16 0.95 0.54 -1.11 0.00 0.00 175.55 176.10 2j4m s ASN 12 N -0.10 7.08 0.93 2.29 4.22 -1.26 -0.50 114.94 127.60 2j4m s ASN 12 Ca 0.03 1.77 -0.11 0.00 -2.14 0.00 0.00 52.86 52.41 2j4m s ASN 12 Cb -0.13 -2.56 0.15 0.00 1.28 0.00 0.00 41.25 40.00 2j4m s ASN 12 CO 0.02 -0.26 1.10 0.00 -2.04 0.00 0.00 177.10 175.93 2j4m n ASN 15 N 4.05 0.80 -2.08 0.00 5.15 -1.26 -1.04 115.26 120.88 2j4m n ASN 15 Ca 0.12 0.84 -0.07 0.00 -0.60 0.00 0.00 54.58 54.87 2j4m n ASN 15 Cb 0.46 -0.62 0.03 0.00 -0.53 0.00 0.00 39.78 39.13 2j4m n ASN 15 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2j4m n ASN 16 N 2.71 -2.68 0.33 1.20 3.02 -1.26 -4.87 115.26 113.70 2j4m n ASN 16 Ca 0.21 -0.27 0.19 0.00 -0.03 0.00 0.00 54.58 54.68 2j4m n ASN 16 Cb -0.04 -2.42 1.01 0.00 -0.61 0.00 0.00 39.78 37.72 2j4m n ASN 16 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2j4m h PRO 17 N -0.66 0.00 0.00 3.52 0.13 -1.36 0.35 132.00 133.98 2j4m h PRO 17 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2j4m h PRO 17 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2j4m h PRO 17 CO 0.20 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.40 2j4m n SER 18 N -3.03 0.00 -1.03 1.44 7.64 -1.26 -3.14 113.62 114.24 2j4m n SER 18 Ca -0.02 -0.40 0.04 0.00 1.01 0.00 0.00 58.87 59.50 2j4m n SER 18 Cb 0.24 -0.19 0.05 0.00 -1.01 0.00 0.00 64.21 63.30 2j4m n SER 18 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2j4m n SER 19 N -1.19 0.92 -4.73 6.43 2.88 0.12 -5.08 113.62 112.98 2j4m n SER 19 Ca 0.16 -2.32 -0.34 0.00 -1.33 0.00 0.00 58.87 55.04 2j4m n SER 19 Cb 0.18 -0.31 -0.08 0.00 -0.75 0.00 0.00 64.21 63.25 2j4m n SER 19 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2j4m s THR 20 N -0.61 4.50 -0.34 2.46 2.01 -1.09 -5.05 115.64 117.51 2j4m s THR 20 Ca 0.26 -0.34 -0.21 0.00 0.31 0.00 0.00 61.69 61.70 2j4m s THR 20 Cb 0.28 -2.97 -0.00 0.00 0.01 0.00 0.00 72.50 69.82 2j4m s THR 20 CO -0.10 0.48 0.66 -0.75 -0.69 0.00 0.00 174.62 174.22 2j4m s LYS 21 N -1.31 3.77 -0.72 4.92 2.47 -1.26 -5.01 119.74 122.60 2j4m s LYS 21 Ca 0.18 0.19 -0.20 0.00 -1.56 0.00 0.00 55.97 54.57 2j4m s LYS 21 Cb -0.12 -3.78 0.10 0.00 -1.46 0.00 0.00 37.83 32.57 2j4m s LYS 21 CO 0.08 -0.70 0.94 0.08 0.16 0.00 0.00 175.35 175.91 2j4m s VAL 22 N 2.74 4.58 -2.50 4.02 1.01 -1.26 -4.04 120.40 124.95 2j4m s VAL 22 Ca 0.26 -0.90 0.27 0.00 0.00 0.00 0.00 61.98 61.61 2j4m s VAL 22 Cb -0.14 -4.66 0.53 0.00 0.00 0.00 0.00 36.38 32.11 2j4m s VAL 22 CO 0.14 -1.39 1.72 -1.84 0.00 0.00 0.00 175.10 173.73 2j4m n GLU 23 N 6.97 1.69 -4.11 2.72 0.28 -1.12 -4.88 120.64 122.19 2j4m n GLU 23 Ca 0.03 -1.01 -0.12 0.00 -0.16 0.00 0.00 57.16 55.91 2j4m n GLU 23 Cb 0.46 -1.47 -0.11 0.00 1.43 0.00 0.00 31.44 31.75 2j4m n GLU 23 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 2j4m s TYR 24 N -1.98 0.76 -0.30 -1.84 5.04 -1.13 -5.06 117.35 112.85 2j4m s TYR 24 Ca 0.37 -0.71 -0.01 0.00 -2.44 0.00 0.00 57.07 54.28 2j4m s TYR 24 Cb 0.21 -0.45 0.19 0.00 0.35 0.00 0.00 41.96 42.26 2j4m s TYR 24 CO 0.33 -0.13 0.73 0.99 -1.34 0.00 0.00 175.55 176.13 2j4m s THR 25 N -2.48 -0.79 0.00 4.34 2.01 -1.26 -2.26 115.64 115.20 2j4m s THR 25 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2j4m s THR 25 Cb -0.03 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.61 2j4m s THR 25 CO -0.02 0.00 0.00 -0.67 -0.69 0.00 0.00 174.62 173.24 2j4m n ASP 26 N 5.38 0.73 -0.21 3.53 -0.08 -0.98 -4.98 116.55 119.93 2j4m n ASP 26 Ca 0.02 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.36 2j4m n ASP 26 Cb 0.54 0.00 0.24 0.00 2.34 0.00 0.00 41.12 44.24 2j4m n ASP 26 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2j4m n ALA 27 N -3.00 2.52 -0.05 -1.67 0.00 -1.26 -3.18 120.51 113.87 2j4m n ALA 27 Ca 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 53.44 53.20 2j4m n ALA 27 Cb 0.00 -1.09 -0.14 0.00 0.00 0.00 0.00 19.45 18.22 2j4m n ALA 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2j4m n SER 28 N -0.25 0.70 0.00 0.00 7.64 -1.26 -5.11 113.62 115.34 2j4m n SER 28 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2j4m n SER 28 Cb 0.13 1.35 0.00 0.00 -1.01 0.00 0.00 64.21 64.68 2j4m n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2j4m n GLY 29 N 1.70 0.36 3.73 0.23 0.00 -1.19 -5.01 105.19 105.01 2j4m n GLY 29 Ca -0.17 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.27 2j4m n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j4m s GLN 30 N -2.00 2.98 0.09 1.61 1.11 -1.26 -2.33 119.66 119.87 2j4m s GLN 30 Ca 0.00 -0.47 0.03 0.00 0.01 0.00 0.00 55.36 54.92 2j4m s GLN 30 Cb 0.00 -2.81 -0.04 0.00 -1.01 0.00 0.00 33.01 29.16 2j4m s GLN 30 CO 0.00 0.67 -0.08 -1.58 0.01 0.00 0.00 175.29 174.31 2j4m s TRP 31 N -1.06 0.92 0.29 0.91 0.52 -0.96 -2.06 118.94 117.50 2j4m s TRP 31 Ca 0.18 -0.74 -0.19 0.00 0.02 0.00 0.00 56.10 55.38 2j4m s TRP 31 Cb -0.12 -0.52 0.06 0.00 -1.15 0.00 0.00 33.47 31.74 2j4m s TRP 31 CO 0.09 -0.08 0.87 0.20 0.02 0.00 0.00 176.95 178.05 2j4m s GLY 32 N -2.55 0.18 -0.32 0.98 0.00 0.51 -2.79 107.32 103.34 2j4m s GLY 32 Ca 0.05 -0.49 0.02 0.00 0.00 0.00 0.00 44.72 44.30 2j4m s GLY 32 CO -0.02 0.56 0.06 0.54 0.00 0.00 0.00 173.10 174.24 2j4m s VAL 33 N -2.54 1.62 -0.07 1.40 0.11 -1.26 -0.98 120.40 118.68 2j4m s VAL 33 Ca 0.17 -1.85 -0.04 0.00 -2.93 0.00 0.00 61.98 57.32 2j4m s VAL 33 Cb -0.04 -2.18 -0.04 0.00 -1.53 0.00 0.00 36.38 32.59 2j4m s VAL 33 CO 0.08 -0.59 0.12 -1.58 -3.33 0.00 0.00 175.10 169.80 2j4m s GLN 34 N 1.25 3.32 -0.99 1.54 2.00 -0.66 -4.33 119.66 121.78 2j4m s GLN 34 Ca 0.09 -0.28 0.00 0.00 -2.00 0.00 0.00 55.36 53.17 2j4m s GLN 34 Cb -0.18 -3.06 0.00 0.00 0.80 0.00 0.00 33.01 30.57 2j4m s GLN 34 CO -0.15 0.72 0.00 0.27 -0.50 0.00 0.00 175.29 175.63 2j4m n ASN 35 N 1.58 -3.34 -1.59 6.67 0.23 -1.26 -0.72 115.26 116.83 2j4m n ASN 35 Ca -0.16 0.24 -0.08 0.00 -0.53 0.00 0.00 54.58 54.06 2j4m n ASN 35 Cb 0.54 -2.95 0.03 0.00 -2.08 0.00 0.00 39.78 35.32 2j4m n ASN 35 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2j4m n GLY 36 N -0.60 0.40 3.24 4.83 0.00 -1.26 -5.06 105.19 106.74 2j4m n GLY 36 Ca -0.12 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 2j4m n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j4m s GLN 37 N -5.25 0.39 0.49 1.61 -1.52 0.10 -5.13 119.66 110.35 2j4m s GLN 37 Ca 0.16 0.61 -0.23 0.00 -1.95 0.00 0.00 55.36 53.95 2j4m s GLN 37 Cb -0.07 0.10 -0.06 0.00 -0.22 0.00 0.00 33.01 32.75 2j4m s GLN 37 CO 0.24 -0.10 1.26 -1.58 -0.25 0.00 0.00 175.29 174.87 2j4m s TRP 38 N 0.70 2.63 -0.20 0.91 0.23 -1.26 -1.66 118.94 120.30 2j4m s TRP 38 Ca -0.04 1.46 -0.35 0.00 -2.03 0.00 0.00 56.10 55.14 2j4m s TRP 38 Cb -0.05 -3.58 0.14 0.00 0.03 0.00 0.00 33.47 30.01 2j4m s TRP 38 CO -0.05 -2.13 1.21 0.00 0.96 0.00 0.00 176.95 176.94 2j4m s GLY 40 N -2.04 2.25 -0.72 0.00 0.00 -1.22 -0.36 107.32 105.23 2j4m s GLY 40 Ca 0.09 -0.51 -0.20 0.00 0.00 0.00 0.00 44.72 44.10 2j4m s GLY 40 CO -0.05 -0.41 0.92 -0.42 0.00 0.00 0.00 173.10 173.14 2j4m s ILE 41 N -1.65 4.64 -0.33 0.90 1.09 -0.87 -2.38 121.20 122.60 2j4m s ILE 41 Ca 0.41 -0.98 0.03 0.00 -1.10 0.00 0.00 60.65 59.01 2j4m s ILE 41 Cb -0.12 -4.64 0.10 0.00 -1.06 0.00 0.00 42.46 36.74 2j4m s ILE 41 CO 0.23 -1.35 0.05 -0.62 -0.10 0.00 0.00 174.94 173.16 2j4m s ASP 42 N 3.58 4.58 0.13 3.58 2.15 -1.26 -4.75 116.67 124.68 2j4m s ASP 42 Ca 0.21 -2.00 0.10 0.00 0.43 0.00 0.00 52.55 51.29 2j4m s ASP 42 Cb -0.16 -1.45 0.52 0.00 -0.30 0.00 0.00 42.92 41.53 2j4m s ASP 42 CO 0.03 -0.38 1.31 -1.22 -0.17 0.00 0.00 175.17 174.74 2j4m n TYR 43 N 4.39 0.30 -2.53 -5.34 4.01 -1.26 -2.34 117.16 114.39 2j4m n TYR 43 Ca 0.02 0.15 -0.21 0.00 -0.16 0.00 0.00 57.90 57.70 2j4m n TYR 43 Cb 0.42 -0.74 0.01 0.00 -0.31 0.00 0.00 39.34 38.72 2j4m n TYR 43 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2j4m n SER 44 N -1.81 3.67 -1.30 7.72 7.64 -1.26 -4.79 113.62 123.49 2j4m n SER 44 Ca -0.00 -3.39 -0.06 0.00 1.01 0.00 0.00 58.87 56.43 2j4m n SER 44 Cb 0.04 -0.48 0.04 0.00 -1.01 0.00 0.00 64.21 62.80 2j4m n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2j4m n TYR 45 N -0.35 0.70 -1.33 1.43 -0.00 -0.99 -4.79 117.16 111.83 2j4m n TYR 45 Ca 0.29 -0.83 0.00 0.00 -0.00 0.00 0.00 57.90 57.36 2j4m n TYR 45 Cb 0.72 -0.42 0.00 0.00 -0.00 0.00 0.00 39.34 39.63 2j4m n TYR 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2j4m n GLY 46 N 0.16 0.30 2.25 -7.48 0.00 -1.26 0.19 105.19 99.34 2j4m n GLY 46 Ca 0.14 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 2j4m n GLY 46 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2j4m n GLN 47 N -1.07 1.20 -1.87 1.61 0.00 -1.26 -3.98 117.38 112.01 2j4m n GLN 47 Ca 0.00 -2.25 -0.42 0.00 -0.00 0.00 0.00 57.00 54.33 2j4m n GLN 47 Cb 0.44 0.54 -0.03 0.00 0.00 0.00 0.00 30.24 31.20 2j4m n GLN 47 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2j4m s ASN 48 N -2.76 6.50 -0.30 1.69 0.02 -1.26 -4.87 114.94 113.97 2j4m s ASN 48 Ca 0.03 2.76 0.00 0.00 -1.02 0.00 0.00 52.86 54.63 2j4m s ASN 48 Cb -0.00 -2.61 0.27 0.00 0.02 0.00 0.00 41.25 38.93 2j4m s ASN 48 CO 0.02 -0.85 1.80 1.67 0.02 0.00 0.00 177.10 179.76 2j4m n GLN 49 N 3.26 1.78 -0.78 -0.60 7.27 -1.26 -4.42 117.38 122.63 2j4m n GLN 49 Ca 0.12 -1.63 -0.07 0.00 0.07 0.00 0.00 57.00 55.49 2j4m n GLN 49 Cb 0.38 -1.64 0.20 0.00 2.41 0.00 0.00 30.24 31.59 2j4m n GLN 49 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2j4m n GLY 50 N 0.02 3.24 2.73 1.69 0.00 -1.26 -4.66 105.19 106.95 2j4m n GLY 50 Ca 0.32 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 2j4m n GLY 50 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2j4m n ASN 51 N -0.17 -4.17 0.03 1.61 4.05 -1.26 -4.93 115.26 110.41 2j4m n ASN 51 Ca 0.33 -0.34 -0.09 0.00 0.45 0.00 0.00 54.58 54.92 2j4m n ASN 51 Cb 1.16 -3.30 0.05 0.00 1.23 0.00 0.00 39.78 38.93 2j4m n ASN 51 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 2j4m h GLU 52 N -1.57 0.48 0.00 1.20 5.08 -1.90 -3.48 114.58 114.40 2j4m h GLU 52 Ca -0.35 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 57.64 2j4m h GLU 52 Cb 1.22 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2j4m h GLU 52 CO 0.34 0.95 0.20 0.45 -1.00 0.00 0.00 179.01 179.94 2j4m n SER 53 N -3.91 -1.81 -3.55 1.42 2.88 -1.26 -5.09 113.62 102.30 2j4m n SER 53 Ca -0.04 -2.31 -0.10 0.00 -1.33 0.00 0.00 58.87 55.10 2j4m n SER 53 Cb 0.64 3.03 -0.02 0.00 -0.75 0.00 0.00 64.21 67.10 2j4m n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2j4m s THR 55 N -3.37 4.91 0.00 0.00 2.01 -0.55 -4.14 115.64 114.49 2j4m s THR 55 Ca 0.20 0.53 0.00 0.00 0.31 0.00 0.00 61.69 62.72 2j4m s THR 55 Cb -0.03 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.86 2j4m s THR 55 CO 0.11 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.59 2j4m n GLY 56 N -0.10 0.81 0.00 4.40 0.00 -1.26 -3.14 105.19 105.91 2j4m n GLY 56 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2j4m n GLY 56 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2j4m n ASN 57 N 0.00 0.00 -0.26 1.61 0.23 -1.25 -1.99 115.26 113.60 2j4m n ASN 57 Ca 0.00 -0.89 0.04 0.00 -0.53 0.00 0.00 54.58 53.20 2j4m n ASN 57 Cb 0.00 -0.01 0.06 0.00 -2.08 0.00 0.00 39.78 37.75 2j4m n ASN 57 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2j4m n GLY 58 N 0.83 2.17 2.10 4.83 0.00 -1.26 -4.95 105.19 108.92 2j4m n GLY 58 Ca 0.22 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2j4m n GLY 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2j4m n SER 59 N -0.61 -2.00 -4.20 1.61 3.41 -1.13 -5.16 113.62 105.54 2j4m n SER 59 Ca 0.06 0.43 -0.16 0.00 -0.26 0.00 0.00 58.87 58.95 2j4m n SER 59 Cb 0.63 2.12 -0.11 0.00 -0.26 0.00 0.00 64.21 66.59 2j4m n SER 59 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2j4m s TYR 60 N -1.45 1.17 0.80 7.33 1.51 -0.84 -5.09 117.35 120.78 2j4m s TYR 60 Ca 0.00 -0.62 -0.16 0.00 -1.01 0.00 0.00 57.07 55.28 2j4m s TYR 60 Cb 0.00 -0.63 -0.06 0.00 -0.11 0.00 0.00 41.96 41.16 2j4m s TYR 60 CO 0.00 0.05 0.13 -0.35 -1.11 0.00 0.00 175.55 174.26 2j4m n PRO 61 N 0.57 0.07 -2.91 -1.71 -0.04 -1.25 -3.93 135.00 125.80 2j4m n PRO 61 Ca -0.16 0.05 -0.37 0.00 -0.04 0.00 0.00 63.50 62.98 2j4m n PRO 61 Cb 0.57 -1.54 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 2j4m n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2j4m n ASN 64 N -1.82 0.00 -4.29 0.00 6.94 -1.26 -5.01 115.26 109.82 2j4m n ASN 64 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 54.58 54.34 2j4m n ASN 64 Cb 0.00 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.30 2j4m n ASN 64 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2j4m s THR 65 N -1.94 1.68 -2.25 5.53 -1.32 -1.26 -4.91 115.64 111.18 2j4m s THR 65 Ca 0.00 -1.71 0.23 0.00 -1.21 0.00 0.00 61.69 59.00 2j4m s THR 65 Cb 0.00 -1.65 0.54 0.00 -1.51 0.00 0.00 72.50 69.88 2j4m s THR 65 CO 0.00 -0.22 1.69 0.00 -2.21 0.00 0.00 174.62 173.89 2j4m s GLN 67 N -1.90 3.53 -0.79 0.00 -0.44 -1.26 -4.93 119.66 113.86 2j4m s GLN 67 Ca 0.34 -1.04 -0.15 0.00 -2.50 0.00 0.00 55.36 52.01 2j4m s GLN 67 Cb 0.18 -5.15 0.19 0.00 -1.64 0.00 0.00 33.01 26.59 2j4m s GLN 67 CO 0.28 -2.16 0.79 0.00 0.50 0.00 0.00 175.29 174.70 2j4m s ALA 68 N 4.90 3.86 0.63 1.58 0.00 -1.26 -4.36 121.76 127.12 2j4m s ALA 68 Ca 0.43 -3.05 0.37 0.00 0.00 0.00 0.00 51.96 49.71 2j4m s ALA 68 Cb -0.02 -3.58 2.13 0.00 0.00 0.00 0.00 23.12 21.65 2j4m s ALA 68 CO -0.06 -2.38 2.31 0.00 0.00 0.00 0.00 175.76 175.64 2j4m h THR 69 N 5.17 0.26 -2.77 0.00 1.03 -1.33 -3.43 112.91 111.85 2j4m h THR 69 Ca 0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 66.41 66.32 2j4m h THR 69 Cb 1.05 0.99 -0.22 0.00 -1.07 0.00 0.00 68.15 68.90 2j4m h THR 69 CO 0.87 0.00 -0.21 -0.72 -0.01 0.00 0.00 175.52 175.45 2j4m s TYR 70 N -4.39 -0.39 -0.03 0.00 1.13 -0.60 -5.02 117.35 108.05 2j4m s TYR 70 Ca -0.05 0.85 0.07 0.00 -1.41 0.00 0.00 57.07 56.53 2j4m s TYR 70 Cb 0.14 0.16 -0.01 0.00 -1.10 0.00 0.00 41.96 41.14 2j4m s TYR 70 CO 0.48 -0.30 -0.24 0.99 -2.51 0.00 0.00 175.55 173.96 2j4m s THR 71 N -0.37 1.93 0.00 -3.49 2.01 -1.26 0.17 115.64 114.63 2j4m s THR 71 Ca -0.05 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 60.92 2j4m s THR 71 Cb -0.03 -1.62 0.00 0.00 0.01 0.00 0.00 72.50 70.86 2j4m s THR 71 CO 0.02 0.54 0.00 -0.67 -0.69 0.00 0.00 174.62 173.83 2j4m n ASP 72 N 2.69 1.96 0.00 3.53 2.03 0.16 -4.97 116.55 121.95 2j4m n ASP 72 Ca -0.17 -0.67 0.07 0.00 0.52 0.00 0.00 54.79 54.55 2j4m n ASP 72 Cb 0.52 0.00 0.42 0.00 -0.72 0.00 0.00 41.12 41.34 2j4m n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2j4m n GLY 73 N 4.90 -0.60 0.00 0.27 0.00 -1.26 -2.31 105.19 106.19 2j4m n GLY 73 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2j4m n GLY 73 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j4m n ASP 74 N -0.86 1.90 0.00 1.61 8.00 -1.26 -4.06 116.55 121.87 2j4m n ASP 74 Ca 0.11 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.70 2j4m n ASP 74 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 2j4m n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j4m n GLY 75 N -0.45 0.48 3.96 0.44 0.00 -0.98 -4.64 105.19 104.00 2j4m n GLY 75 Ca 0.00 -2.09 -0.23 0.00 0.00 0.00 0.00 46.02 43.71 2j4m n GLY 75 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2j4m s ASP 76 N -4.00 5.40 0.05 1.61 1.01 -1.26 0.37 116.67 119.85 2j4m s ASP 76 Ca 0.00 0.19 -0.22 0.00 0.71 0.00 0.00 52.55 53.23 2j4m s ASP 76 Cb 0.00 -1.16 0.05 0.00 1.01 0.00 0.00 42.92 42.82 2j4m s ASP 76 CO 0.00 -1.07 0.51 0.26 0.21 0.00 0.00 175.17 175.08 2j4m s TRP 77 N -2.78 -0.41 0.14 4.23 0.52 0.44 -2.67 118.94 118.42 2j4m s TRP 77 Ca 0.55 0.44 -0.08 0.00 0.02 0.00 0.00 56.10 57.03 2j4m s TRP 77 Cb -0.10 0.33 -0.01 0.00 -1.15 0.00 0.00 33.47 32.54 2j4m s TRP 77 CO 0.40 -0.64 0.23 0.00 0.02 0.00 0.00 176.95 176.95 2j4m s ALA 78 N -2.47 0.08 -0.44 0.98 0.00 -0.76 -0.80 121.76 118.35 2j4m s ALA 78 Ca -0.05 -0.92 -0.14 0.00 0.00 0.00 0.00 51.96 50.85 2j4m s ALA 78 Cb -0.01 0.77 0.06 0.00 0.00 0.00 0.00 23.12 23.94 2j4m s ALA 78 CO -0.02 -0.59 0.34 0.12 0.00 0.00 0.00 175.76 175.61 2j4m s PHE 79 N -3.96 3.25 -0.00 0.00 5.99 -1.26 -2.29 117.98 119.71 2j4m s PHE 79 Ca 0.15 -0.91 -0.03 0.00 0.00 0.00 0.00 56.93 56.14 2j4m s PHE 79 Cb 0.04 -2.93 -0.00 0.00 0.00 0.00 0.00 43.02 40.13 2j4m s PHE 79 CO -0.02 -0.74 0.06 -2.00 -0.00 0.00 0.00 175.22 172.52 2j4m s GLU 80 N 1.62 0.29 -0.71 10.12 2.56 -1.14 -4.81 118.70 126.62 2j4m s GLU 80 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 54.97 54.72 2j4m s GLU 80 Cb -0.22 0.11 0.00 0.00 2.00 0.00 0.00 34.13 36.02 2j4m s GLU 80 CO 0.07 -0.06 0.00 0.09 -0.56 0.00 0.00 175.26 174.80 2j4m n ASN 81 N 2.07 -4.97 -0.77 -1.70 3.02 -1.26 -2.25 115.26 109.40 2j4m n ASN 81 Ca -0.19 0.17 -0.06 0.00 -0.03 0.00 0.00 54.58 54.46 2j4m n ASN 81 Cb 0.57 -3.06 0.00 0.00 -0.61 0.00 0.00 39.78 36.68 2j4m n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2j4m n GLY 82 N -0.61 0.23 3.26 7.41 0.00 -1.26 -5.04 105.19 109.17 2j4m n GLY 82 Ca -0.07 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 2j4m n GLY 82 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2j4m s ASN 83 N -2.82 -0.16 -1.16 1.61 0.01 -0.95 -5.08 114.94 106.39 2j4m s ASN 83 Ca 0.03 -0.09 -0.21 0.00 -0.71 0.00 0.00 52.86 51.88 2j4m s ASN 83 Cb -0.01 0.35 0.02 0.00 0.41 0.00 0.00 41.25 42.02 2j4m s ASN 83 CO 0.04 -0.58 1.74 0.26 -1.51 0.00 0.00 177.10 177.05 2j4m s TRP 84 N -2.21 2.42 0.58 2.20 0.23 -1.26 -2.88 118.94 118.03 2j4m s TRP 84 Ca -0.07 -0.71 0.02 0.00 -2.03 0.00 0.00 56.10 53.30 2j4m s TRP 84 Cb -0.02 -4.49 0.06 0.00 0.03 0.00 0.00 33.47 29.05 2j4m s TRP 84 CO -0.01 -1.70 0.82 0.00 0.96 0.00 0.00 176.95 177.02 2j4m s GLY 86 N -4.51 1.88 0.02 0.00 0.00 -0.97 -1.82 107.32 101.92 2j4m s GLY 86 Ca 0.60 -1.76 -0.28 0.00 0.00 0.00 0.00 44.72 43.28 2j4m s GLY 86 CO 0.39 -1.69 0.88 -0.42 0.00 0.00 0.00 173.10 172.27 2j4m s ILE 87 N -2.38 4.80 0.51 0.90 1.09 -1.09 0.76 121.20 125.78 2j4m s ILE 87 Ca 0.39 1.86 -0.22 0.00 -1.10 0.00 0.00 60.65 61.58 2j4m s ILE 87 Cb -0.04 -4.23 -0.06 0.00 -1.06 0.00 0.00 42.46 37.07 2j4m s ILE 87 CO 0.24 0.25 1.25 -0.54 -0.10 0.00 0.00 174.94 176.04 2j4m s LYS 88 N 0.54 3.44 0.29 2.79 -0.14 -1.26 -1.49 119.74 123.92 2j4m s LYS 88 Ca 0.46 1.97 -0.03 0.00 -1.36 0.00 0.00 55.97 57.00 2j4m s LYS 88 Cb -0.21 -2.30 0.61 0.00 -1.68 0.00 0.00 37.83 34.24 2j4m s LYS 88 CO 0.26 -0.87 1.55 0.27 -0.76 0.00 0.00 175.35 175.79 2j4m n ASN 89 N -0.80 -0.24 -0.28 2.83 0.23 -0.48 -1.15 115.26 115.38 2j4m n ASN 89 Ca 0.09 1.69 0.21 0.00 -0.53 0.00 0.00 54.58 56.04 2j4m n ASN 89 Cb 0.47 -0.56 0.32 0.00 -2.08 0.00 0.00 39.78 37.93 2j4m n ASN 89 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2j4m n SER 90 N -5.55 0.01 -1.93 0.53 2.88 -1.26 -0.84 113.62 107.46 2j4m n SER 90 Ca 0.20 0.40 -0.13 0.00 -1.33 0.00 0.00 58.87 58.01 2j4m n SER 90 Cb 0.63 -0.20 -0.04 0.00 -0.75 0.00 0.00 64.21 63.84 2j4m n SER 90 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2j4m n LYS 92 N 1.33 0.53 0.00 0.00 5.02 -0.02 -5.07 118.16 119.95 2j4m n LYS 92 Ca 0.29 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 2j4m n LYS 92 Cb 0.64 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 2j4m n LYS 92 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2j4m n GLN 93 N -4.13 0.00 0.16 1.97 10.64 -1.26 -4.93 117.38 119.82 2j4m n GLN 93 Ca -0.49 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 54.68 2j4m n GLN 93 Cb 0.85 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.23 2j4m n GLN 93 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2j4m n GLN 94 N 0.00 0.00 -0.15 2.61 6.02 -1.26 -4.93 117.38 119.66 2j4m n GLN 94 Ca 0.00 0.00 0.28 0.00 -0.01 0.00 0.00 57.00 57.27 2j4m n GLN 94 Cb 0.00 0.00 0.63 0.00 1.02 0.00 0.00 30.24 31.89 2j4m n GLN 94 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2j4m h PRO 95 N 0.00 0.00 -4.28 -1.09 0.13 -1.98 -3.44 132.00 121.35 2j4m h PRO 95 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.99 2j4m h PRO 95 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2j4m h PRO 95 CO 0.00 0.00 -0.18 0.00 -0.23 0.00 0.00 178.00 177.59 2j4m n GLN 96 N -3.59 -2.53 0.00 0.86 10.64 -1.26 -3.42 117.38 118.07 2j4m n GLN 96 Ca 0.19 0.34 0.00 0.00 -1.83 0.00 0.00 57.00 55.70 2j4m n GLN 96 Cb 1.19 -4.89 0.00 0.00 -0.86 0.00 0.00 30.24 25.68 2j4m n GLN 96 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2j4m n ASN 97 N -1.63 0.00 -4.69 2.61 2.85 -1.26 -4.42 115.26 108.72 2j4m n ASN 97 Ca -0.08 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 53.96 2j4m n ASN 97 Cb 0.56 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.55 2j4m n ASN 97 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 2j4m s ASN 98 N 0.00 7.16 0.11 1.20 0.02 -1.22 -5.04 114.94 117.17 2j4m s ASN 98 Ca 0.00 1.70 0.02 0.00 -1.02 0.00 0.00 52.86 53.56 2j4m s ASN 98 Cb 0.00 -2.56 -0.04 0.00 0.02 0.00 0.00 41.25 38.67 2j4m s ASN 98 CO 0.00 -0.49 0.20 0.20 0.02 0.00 0.00 177.10 177.02 2j4m s ASN 99 N 1.25 6.07 0.00 -1.22 0.01 -1.26 -4.97 114.94 114.82 2j4m s ASN 99 Ca 0.53 0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.80 2j4m s ASN 99 Cb -0.22 -1.77 0.00 0.00 0.41 0.00 0.00 41.25 39.67 2j4m s ASN 99 CO 0.21 0.12 0.00 1.67 -1.51 0.00 0.00 177.10 177.59