#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 0.81 -0.05 0.00 0.23 -1.26 -4.67 119.30 114.35 2j4m s MET 2 Ca 0.00 -0.57 0.05 0.00 -1.03 0.00 0.00 55.69 54.14 2j4m s MET 2 Cb 0.00 -0.18 0.11 0.00 -1.53 0.00 0.00 34.83 33.23 2j4m s MET 2 CO 0.00 -1.21 1.10 0.00 -2.03 0.00 0.00 175.02 172.87 2j4m n ALA 3 N 4.15 3.49 -1.71 3.16 0.00 -1.26 -4.49 120.51 123.85 2j4m n ALA 3 Ca 0.12 -0.93 -0.35 0.00 0.00 0.00 0.00 53.44 52.29 2j4m n ALA 3 Cb 0.53 -0.45 0.02 0.00 0.00 0.00 0.00 19.45 19.55 2j4m n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j4m h TRP 5 N 0.90 0.00 0.00 0.00 5.08 -1.96 -3.26 115.95 116.71 2j4m h TRP 5 Ca -0.49 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.45 2j4m h TRP 5 Cb 1.27 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.42 2j4m h TRP 5 CO 0.51 0.25 -0.14 0.00 -1.28 0.00 0.00 178.44 177.78 2j4m h ALA 6 N 1.75 1.45 0.00 0.11 0.00 -1.91 -1.58 119.26 119.07 2j4m h ALA 6 Ca -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2j4m h ALA 6 Cb 1.21 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2j4m h ALA 6 CO 0.03 0.18 -0.03 -0.56 0.00 0.00 0.00 179.25 178.87 2j4m h GLN 7 N 0.00 0.00 -0.17 0.00 -0.00 0.26 -0.16 115.11 115.04 2j4m h GLN 7 Ca -0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.65 58.70 2j4m h GLN 7 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.79 2j4m h GLN 7 CO 0.02 0.03 0.17 0.77 -0.00 0.00 0.00 178.83 179.82 2j4m h SER 8 N 0.00 0.00 0.00 0.06 0.02 -1.48 -2.17 113.55 109.98 2j4m h SER 8 Ca -0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 2j4m h SER 8 Cb 0.49 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 2j4m h SER 8 CO 0.00 0.00 -1.62 0.00 -1.14 0.00 0.00 176.83 174.07 2j4m n GLN 9 N -3.87 0.98 0.00 3.45 0.00 -1.04 -5.01 117.38 111.88 2j4m n GLN 9 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 57.00 56.94 2j4m n GLN 9 Cb 0.30 -1.29 0.00 0.00 0.00 0.00 0.00 30.24 29.25 2j4m n GLN 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2j4m n GLY 10 N 1.98 1.07 3.71 2.61 0.00 -0.82 -5.12 105.19 108.63 2j4m n GLY 10 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 3.20 0.69 1.61 2.02 -0.11 -4.78 117.35 119.99 2j4m s TYR 11 Ca 0.00 0.92 -0.11 0.00 -0.37 0.00 0.00 57.07 57.51 2j4m s TYR 11 Cb 0.00 -3.69 0.01 0.00 -0.40 0.00 0.00 41.96 37.87 2j4m s TYR 11 CO 0.00 -2.44 1.08 0.54 -1.57 0.00 0.00 175.55 173.16 2j4m s ASN 12 N 1.17 5.54 0.62 2.29 4.22 -1.26 0.73 114.94 128.25 2j4m s ASN 12 Ca 0.65 1.21 -0.18 0.00 -2.14 0.00 0.00 52.86 52.40 2j4m s ASN 12 Cb -0.37 -2.05 -0.02 0.00 1.28 0.00 0.00 41.25 40.09 2j4m s ASN 12 CO 0.30 -1.29 1.18 0.00 -2.04 0.00 0.00 177.10 175.25 2j4m n ASN 15 N 5.12 2.10 -2.53 0.00 5.15 -1.26 -2.10 115.26 121.75 2j4m n ASN 15 Ca -0.12 0.82 -0.03 0.00 -0.60 0.00 0.00 54.58 54.65 2j4m n ASN 15 Cb 0.49 -1.15 0.01 0.00 -0.53 0.00 0.00 39.78 38.60 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 7.03 -5.47 0.27 1.20 3.02 -1.26 -4.83 115.26 115.21 2j4m n ASN 16 Ca 0.35 -0.17 0.18 0.00 -0.03 0.00 0.00 54.58 54.90 2j4m n ASN 16 Cb 0.14 -3.67 0.91 0.00 -0.61 0.00 0.00 39.78 36.54 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 -0.02 0.00 -0.01 3.52 0.13 -1.70 -0.40 132.00 133.53 2j4m h PRO 17 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2j4m h PRO 17 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2j4m h PRO 17 CO 0.22 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.44 2j4m n SER 18 N -2.80 0.45 -1.29 1.44 2.88 -1.26 -3.49 113.62 109.55 2j4m n SER 18 Ca -0.02 -1.19 0.03 0.00 -1.33 0.00 0.00 58.87 56.36 2j4m n SER 18 Cb 0.11 -0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.58 2j4m n SER 18 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2j4m n SER 19 N -0.63 0.76 -4.83 -3.46 2.88 -0.17 -5.07 113.62 103.09 2j4m n SER 19 Ca 0.21 -1.99 -0.32 0.00 -1.33 0.00 0.00 58.87 55.44 2j4m n SER 19 Cb 0.18 -0.26 -0.06 0.00 -0.75 0.00 0.00 64.21 63.31 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 0.00 4.94 -0.33 2.46 2.01 -1.12 -5.04 115.64 118.55 2j4m s THR 20 Ca 0.27 -0.49 -0.21 0.00 0.31 0.00 0.00 61.69 61.57 2j4m s THR 20 Cb 0.30 -3.35 -0.00 0.00 0.01 0.00 0.00 72.50 69.47 2j4m s THR 20 CO -0.13 0.22 0.66 -0.75 -0.69 0.00 0.00 174.62 173.92 2j4m s LYS 21 N -2.19 3.80 -0.72 4.92 2.36 -1.26 -5.01 119.74 121.65 2j4m s LYS 21 Ca 0.29 0.22 -0.21 0.00 -2.55 0.00 0.00 55.97 53.72 2j4m s LYS 21 Cb -0.12 -3.77 0.10 0.00 -1.05 0.00 0.00 37.83 32.98 2j4m s LYS 21 CO 0.21 -0.67 0.94 0.08 1.55 0.00 0.00 175.35 177.46 2j4m s VAL 22 N 2.72 4.56 -2.54 4.02 1.01 -1.26 -3.78 120.40 125.13 2j4m s VAL 22 Ca 0.26 -0.86 0.28 0.00 0.00 0.00 0.00 61.98 61.66 2j4m s VAL 22 Cb -0.15 -4.66 0.52 0.00 0.00 0.00 0.00 36.38 32.09 2j4m s VAL 22 CO 0.13 -1.39 1.70 -1.84 0.00 0.00 0.00 175.10 173.71 2j4m n GLU 23 N 7.03 1.72 -4.06 2.72 -0.00 -0.96 -4.88 120.64 122.22 2j4m n GLU 23 Ca 0.02 -1.05 -0.13 0.00 -0.00 0.00 0.00 57.16 56.01 2j4m n GLU 23 Cb 0.46 -1.48 -0.11 0.00 -0.00 0.00 0.00 31.44 30.31 2j4m n GLU 23 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 2j4m s TYR 24 N -2.00 0.64 -0.28 -1.84 5.04 -1.07 -5.03 117.35 112.81 2j4m s TYR 24 Ca 0.37 -0.51 -0.24 0.00 -2.44 0.00 0.00 57.07 54.25 2j4m s TYR 24 Cb 0.21 -0.39 0.11 0.00 0.35 0.00 0.00 41.96 42.24 2j4m s TYR 24 CO 0.33 -0.09 0.92 0.99 -1.34 0.00 0.00 175.55 176.35 2j4m s THR 25 N -1.42 0.00 0.00 4.34 2.01 -1.26 -2.08 115.64 117.23 2j4m s THR 25 Ca -0.10 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.90 2j4m s THR 25 Cb -0.10 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.41 2j4m s THR 25 CO 0.00 0.00 0.00 -0.67 -0.69 0.00 0.00 174.62 173.26 2j4m n ASP 26 N 2.56 1.00 -0.29 3.53 -0.08 -1.16 -5.00 116.55 117.11 2j4m n ASP 26 Ca -0.14 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.24 2j4m n ASP 26 Cb 0.56 0.00 0.44 0.00 2.34 0.00 0.00 41.12 44.46 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 2.56 -0.08 -1.67 0.00 -1.26 -3.43 120.51 113.63 2j4m n ALA 27 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 53.44 53.05 2j4m n ALA 27 Cb 0.00 -1.18 -0.16 0.00 0.00 0.00 0.00 19.45 18.11 2j4m n ALA 27 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2j4m n SER 28 N -0.20 0.12 0.00 0.00 2.88 -1.26 -5.10 113.62 110.06 2j4m n SER 28 Ca 0.15 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 2j4m n SER 28 Cb 0.20 0.99 0.00 0.00 -0.75 0.00 0.00 64.21 64.65 2j4m n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2j4m n GLY 29 N 1.66 0.55 2.89 0.46 0.00 -1.22 -5.04 105.19 104.49 2j4m n GLY 29 Ca -0.27 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 0.33 0.23 1.61 -0.21 -1.26 -2.98 119.66 117.38 2j4m s GLN 30 Ca 0.00 -0.06 0.06 0.00 0.02 0.00 0.00 55.36 55.37 2j4m s GLN 30 Cb 0.00 -0.38 -0.05 0.00 1.00 0.00 0.00 33.01 33.58 2j4m s GLN 30 CO 0.00 0.00 -0.07 -1.58 -2.12 0.00 0.00 175.29 171.52 2j4m s TRP 31 N 0.32 1.71 -0.18 0.91 0.52 -0.88 -0.24 118.94 121.09 2j4m s TRP 31 Ca -0.03 -0.74 -0.32 0.00 0.02 0.00 0.00 56.10 55.03 2j4m s TRP 31 Cb -0.06 -0.93 0.14 0.00 -1.15 0.00 0.00 33.47 31.47 2j4m s TRP 31 CO -0.01 0.19 1.15 0.20 0.02 0.00 0.00 176.95 178.50 2j4m s GLY 32 N -3.34 -0.23 -0.50 0.98 0.00 -0.98 -2.26 107.32 100.98 2j4m s GLY 32 Ca 0.26 1.89 -0.13 0.00 0.00 0.00 0.00 44.72 46.74 2j4m s GLY 32 CO 0.08 0.75 0.41 0.54 0.00 0.00 0.00 173.10 174.88 2j4m s VAL 33 N -1.90 4.72 -0.14 1.40 0.11 -1.25 -2.50 120.40 120.84 2j4m s VAL 33 Ca 0.06 -1.58 -0.03 0.00 -2.93 0.00 0.00 61.98 57.49 2j4m s VAL 33 Cb -0.01 -4.04 -0.03 0.00 -1.53 0.00 0.00 36.38 30.78 2j4m s VAL 33 CO -0.04 -0.78 -0.03 -1.58 -3.33 0.00 0.00 175.10 169.34 2j4m s GLN 34 N 1.49 3.55 -1.54 1.54 0.74 -1.02 -4.43 119.66 119.99 2j4m s GLN 34 Ca 0.04 -0.49 -0.01 0.00 0.05 0.00 0.00 55.36 54.95 2j4m s GLN 34 Cb -0.28 -2.90 0.00 0.00 1.10 0.00 0.00 33.01 30.93 2j4m s GLN 34 CO 0.02 0.33 0.09 0.09 -0.55 0.00 0.00 175.29 175.27 2j4m n ASN 35 N 3.26 -5.38 -3.17 6.67 3.02 -1.26 -2.38 115.26 116.01 2j4m n ASN 35 Ca -0.17 -0.06 -0.18 0.00 -0.03 0.00 0.00 54.58 54.14 2j4m n ASN 35 Cb 0.53 -4.41 0.08 0.00 -0.61 0.00 0.00 39.78 35.36 2j4m n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2j4m n GLY 36 N -1.09 -0.30 3.35 7.41 0.00 -1.26 -5.02 105.19 108.27 2j4m n GLY 36 Ca -0.20 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.61 0.45 0.30 1.61 -1.52 -1.00 -5.14 119.66 108.74 2j4m s GLN 37 Ca 0.22 0.90 -0.29 0.00 -1.95 0.00 0.00 55.36 54.24 2j4m s GLN 37 Cb -0.10 0.04 -0.10 0.00 -0.22 0.00 0.00 33.01 32.63 2j4m s GLN 37 CO 0.64 -0.16 1.31 -1.58 -0.25 0.00 0.00 175.29 175.25 2j4m s TRP 38 N 1.55 3.11 -0.29 0.91 0.52 -1.26 -2.43 118.94 121.04 2j4m s TRP 38 Ca -0.09 1.36 -0.23 0.00 0.02 0.00 0.00 56.10 57.15 2j4m s TRP 38 Cb -0.08 -3.66 0.17 0.00 -1.15 0.00 0.00 33.47 28.75 2j4m s TRP 38 CO -0.14 -1.88 1.28 0.00 0.02 0.00 0.00 176.95 176.23 2j4m s GLY 40 N 0.31 1.66 -0.63 0.00 0.00 -1.22 -2.32 107.32 105.12 2j4m s GLY 40 Ca 0.03 0.18 -0.15 0.00 0.00 0.00 0.00 44.72 44.78 2j4m s GLY 40 CO -0.12 0.55 0.58 -0.42 0.00 0.00 0.00 173.10 173.69 2j4m s ILE 41 N -2.93 5.33 -0.47 0.90 1.09 0.67 -3.38 121.20 122.41 2j4m s ILE 41 Ca 0.61 -1.80 0.04 0.00 -1.10 0.00 0.00 60.65 58.41 2j4m s ILE 41 Cb -0.17 -4.38 0.12 0.00 -1.06 0.00 0.00 42.46 36.98 2j4m s ILE 41 CO 0.56 -0.92 0.20 -0.62 -0.10 0.00 0.00 174.94 174.06 2j4m s ASP 42 N 3.16 4.43 0.60 3.58 3.68 -1.26 -4.71 116.67 126.15 2j4m s ASP 42 Ca 0.08 -2.76 0.28 0.00 2.13 0.00 0.00 52.55 52.27 2j4m s ASP 42 Cb -0.24 -1.62 1.29 0.00 -1.45 0.00 0.00 42.92 40.89 2j4m s ASP 42 CO -0.01 -0.27 1.69 1.88 0.13 0.00 0.00 175.17 178.59 2j4m h TYR 43 N 6.83 0.00 -1.61 -5.34 0.99 -1.93 0.25 116.97 116.15 2j4m h TYR 43 Ca -0.07 0.00 -0.64 0.00 2.00 0.00 0.00 58.73 60.02 2j4m h TYR 43 Cb 0.93 0.00 -0.38 0.00 1.00 0.00 0.00 36.73 38.28 2j4m h TYR 43 CO 0.50 0.00 -0.19 0.43 -0.00 0.00 0.00 178.16 178.90 2j4m n SER 44 N -3.47 5.58 -4.60 3.88 7.64 -1.26 -4.87 113.62 116.52 2j4m n SER 44 Ca 0.12 -3.76 -0.40 0.00 1.01 0.00 0.00 58.87 55.84 2j4m n SER 44 Cb 0.93 -0.64 -0.08 0.00 -1.01 0.00 0.00 64.21 63.41 2j4m n SER 44 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2j4m s TYR 45 N -3.70 3.24 0.00 1.43 1.13 0.87 -4.60 117.35 115.72 2j4m s TYR 45 Ca 0.50 0.52 0.00 0.00 -1.41 0.00 0.00 57.07 56.67 2j4m s TYR 45 Cb 0.41 -2.75 0.00 0.00 -1.10 0.00 0.00 41.96 38.52 2j4m s TYR 45 CO -0.24 -0.33 0.00 0.41 -2.51 0.00 0.00 175.55 172.88 2j4m n GLY 46 N 4.51 1.90 3.71 5.49 0.00 -1.26 -4.30 105.19 115.24 2j4m n GLY 46 Ca -0.05 -0.10 -0.59 0.00 0.00 0.00 0.00 46.02 45.28 2j4m n GLY 46 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2j4m n GLN 47 N 0.00 0.95 -0.95 1.61 6.02 -1.26 -3.52 117.38 120.22 2j4m n GLN 47 Ca 0.00 0.35 -0.30 0.00 -0.01 0.00 0.00 57.00 57.03 2j4m n GLN 47 Cb 0.00 -1.99 0.25 0.00 1.02 0.00 0.00 30.24 29.51 2j4m n GLN 47 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2j4m s ASN 48 N 3.23 0.55 0.00 1.08 2.20 -1.26 -4.86 114.94 115.88 2j4m s ASN 48 Ca 0.99 0.67 0.07 0.00 -0.94 0.00 0.00 52.86 53.65 2j4m s ASN 48 Cb -1.14 -0.93 0.45 0.00 -2.00 0.00 0.00 41.25 37.63 2j4m s ASN 48 CO 0.67 -4.35 0.86 1.67 -2.94 0.00 0.00 177.10 173.01 2j4m n GLN 49 N -4.92 0.40 0.07 3.55 7.27 -1.25 -3.83 117.38 118.66 2j4m n GLN 49 Ca 0.13 0.00 0.18 0.00 0.07 0.00 0.00 57.00 57.38 2j4m n GLN 49 Cb 0.60 -1.29 0.46 0.00 2.41 0.00 0.00 30.24 32.42 2j4m n GLN 49 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 2j4m h GLY 50 N 2.17 0.00 -1.28 1.69 0.00 -1.89 -3.27 103.07 100.49 2j4m h GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2j4m h GLY 50 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.53 2j4m n ASN 51 N -3.12 -1.26 0.04 0.19 5.15 -1.25 -4.96 115.26 110.05 2j4m n ASN 51 Ca 0.10 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 54.10 2j4m n ASN 51 Cb 1.03 -0.32 -0.07 0.00 -0.53 0.00 0.00 39.78 39.89 2j4m n ASN 51 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2j4m h GLU 52 N 0.00 0.00 -2.56 1.20 4.39 -1.85 -3.46 114.58 112.29 2j4m h GLU 52 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2j4m h GLU 52 Cb 0.63 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 29.00 2j4m h GLU 52 CO 0.00 0.25 -0.39 -1.12 -1.16 0.00 0.00 179.01 176.59 2j4m s SER 53 N -5.74 -0.17 0.56 1.42 0.01 -1.26 -5.09 113.70 103.43 2j4m s SER 53 Ca -0.02 0.94 0.09 0.00 1.31 0.00 0.00 55.95 58.26 2j4m s SER 53 Cb 0.09 1.26 0.07 0.00 0.21 0.00 0.00 66.02 67.65 2j4m s SER 53 CO 0.81 -0.23 0.71 0.00 0.41 0.00 0.00 173.24 174.93 2j4m s THR 55 N -2.67 4.89 0.00 0.00 2.01 -0.07 -4.17 115.64 115.64 2j4m s THR 55 Ca 0.56 0.71 0.00 0.00 0.31 0.00 0.00 61.69 63.27 2j4m s THR 55 Cb -0.05 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.76 2j4m s THR 55 CO 0.35 0.15 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 2j4m n GLY 56 N 0.51 0.90 0.00 4.40 0.00 -1.26 -3.16 105.19 106.59 2j4m n GLY 56 Ca -0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.03 2j4m n GLY 56 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2j4m n ASN 57 N 0.00 0.00 -0.47 1.61 3.02 -1.26 -2.67 115.26 115.49 2j4m n ASN 57 Ca 0.00 -1.54 0.00 0.00 -0.03 0.00 0.00 54.58 53.01 2j4m n ASN 57 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2j4m n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2j4m n GLY 58 N 0.56 0.39 2.09 7.41 0.00 -1.26 -4.99 105.19 109.39 2j4m n GLY 58 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2j4m n GLY 58 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2j4m n SER 59 N 0.00 -1.73 -4.21 1.61 7.64 -1.18 -5.16 113.62 110.59 2j4m n SER 59 Ca 0.00 0.37 -0.12 0.00 1.01 0.00 0.00 58.87 60.13 2j4m n SER 59 Cb 0.67 1.90 -0.10 0.00 -1.01 0.00 0.00 64.21 65.67 2j4m n SER 59 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2j4m s TYR 60 N -1.39 1.08 0.96 1.43 1.51 -1.09 -5.09 117.35 114.77 2j4m s TYR 60 Ca 0.00 -0.84 -0.13 0.00 -1.01 0.00 0.00 57.07 55.09 2j4m s TYR 60 Cb 0.00 -0.58 0.02 0.00 -0.11 0.00 0.00 41.96 41.28 2j4m s TYR 60 CO 0.00 -0.03 0.24 -0.35 -1.11 0.00 0.00 175.55 174.30 2j4m n PRO 61 N -0.12 -0.30 -2.88 -1.71 -0.04 -1.26 -4.01 135.00 124.68 2j4m n PRO 61 Ca -0.11 -0.05 -0.32 0.00 -0.04 0.00 0.00 63.50 62.98 2j4m n PRO 61 Cb 0.61 -1.75 -0.05 0.00 -0.04 0.00 0.00 33.50 32.27 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 -0.77 0.00 -4.60 0.00 0.23 -1.26 -5.02 115.26 103.84 2j4m n ASN 64 Ca 0.00 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 53.72 2j4m n ASN 64 Cb 0.00 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.59 2j4m n ASN 64 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2j4m s THR 65 N -1.95 3.76 -1.34 5.53 -1.32 -1.26 -4.95 115.64 114.11 2j4m s THR 65 Ca 0.00 -0.57 -0.07 0.00 -1.21 0.00 0.00 61.69 59.84 2j4m s THR 65 Cb 0.00 -2.58 0.04 0.00 -1.51 0.00 0.00 72.50 68.45 2j4m s THR 65 CO 0.00 0.52 2.62 0.00 -2.21 0.00 0.00 174.62 175.55 2j4m s GLN 67 N -0.10 0.56 -0.87 0.00 -0.44 -1.26 -4.99 119.66 112.56 2j4m s GLN 67 Ca 0.60 -0.97 -0.16 0.00 -2.50 0.00 0.00 55.36 52.32 2j4m s GLN 67 Cb 0.20 -0.95 0.17 0.00 -1.64 0.00 0.00 33.01 30.79 2j4m s GLN 67 CO -0.09 -1.18 0.94 0.00 0.50 0.00 0.00 175.29 175.46 2j4m s ALA 68 N 1.39 3.73 0.59 1.58 0.00 -1.26 -4.29 121.76 123.49 2j4m s ALA 68 Ca 0.16 -3.04 0.42 0.00 0.00 0.00 0.00 51.96 49.50 2j4m s ALA 68 Cb -0.18 -3.77 2.27 0.00 0.00 0.00 0.00 23.12 21.43 2j4m s ALA 68 CO -0.05 -2.62 2.28 0.00 0.00 0.00 0.00 175.76 175.36 2j4m h THR 69 N 5.30 0.00 -2.65 0.00 1.03 -1.25 -3.43 112.91 111.91 2j4m h THR 69 Ca 0.12 0.00 -0.11 0.00 -0.01 0.00 0.00 66.41 66.42 2j4m h THR 69 Cb 1.03 0.93 -0.22 0.00 -1.07 0.00 0.00 68.15 68.81 2j4m h THR 69 CO 0.93 0.00 -0.16 -0.72 -0.01 0.00 0.00 175.52 175.55 2j4m s TYR 70 N -4.09 -0.45 -0.03 0.00 -0.85 -0.32 -5.02 117.35 106.59 2j4m s TYR 70 Ca -0.05 1.02 0.06 0.00 -0.52 0.00 0.00 57.07 57.58 2j4m s TYR 70 Cb 0.12 0.18 -0.01 0.00 0.38 0.00 0.00 41.96 42.63 2j4m s TYR 70 CO 0.38 -0.31 -0.21 0.99 -1.52 0.00 0.00 175.55 174.88 2j4m s THR 71 N -0.21 1.68 0.00 -3.49 2.01 -1.26 0.17 115.64 114.54 2j4m s THR 71 Ca -0.04 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.08 2j4m s THR 71 Cb -0.03 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 71.06 2j4m s THR 71 CO 0.02 0.48 0.00 -0.67 -0.69 0.00 0.00 174.62 173.76 2j4m n ASP 72 N 2.80 1.81 0.00 3.53 2.03 0.10 -4.97 116.55 121.85 2j4m n ASP 72 Ca -0.16 -0.66 0.06 0.00 0.52 0.00 0.00 54.79 54.54 2j4m n ASP 72 Cb 0.53 0.00 0.34 0.00 -0.72 0.00 0.00 41.12 41.26 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 4.52 -0.59 0.00 0.27 0.00 -1.26 -2.28 105.19 105.85 2j4m n GLY 73 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.80 1.90 0.00 1.61 10.43 -1.26 -5.08 116.55 123.36 2j4m n ASP 74 Ca 0.09 -1.93 0.00 0.00 2.57 0.00 0.00 54.79 55.51 2j4m n ASP 74 Cb 0.04 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.00 2j4m n ASP 74 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2j4m n GLY 75 N -0.47 0.58 3.94 0.44 0.00 -0.97 -4.85 105.19 103.86 2j4m n GLY 75 Ca 0.00 -2.25 -0.25 0.00 0.00 0.00 0.00 46.02 43.53 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 5.42 -0.00 1.61 1.01 -1.26 0.01 116.67 119.46 2j4m s ASP 76 Ca 0.00 0.42 -0.24 0.00 0.71 0.00 0.00 52.55 53.44 2j4m s ASP 76 Cb 0.00 -1.38 0.05 0.00 1.01 0.00 0.00 42.92 42.61 2j4m s ASP 76 CO 0.00 -1.11 0.54 0.26 0.21 0.00 0.00 175.17 175.07 2j4m s TRP 77 N -2.90 -0.47 0.19 4.23 0.52 0.45 -2.93 118.94 118.03 2j4m s TRP 77 Ca 0.55 0.69 -0.00 0.00 0.02 0.00 0.00 56.10 57.36 2j4m s TRP 77 Cb -0.10 0.32 -0.04 0.00 -1.15 0.00 0.00 33.47 32.49 2j4m s TRP 77 CO 0.42 -0.58 0.09 0.00 0.02 0.00 0.00 176.95 176.90 2j4m s ALA 78 N -1.72 1.20 -0.34 0.98 0.00 -0.76 -0.64 121.76 120.48 2j4m s ALA 78 Ca -0.09 -1.65 -0.03 0.00 0.00 0.00 0.00 51.96 50.19 2j4m s ALA 78 Cb -0.01 1.08 0.07 0.00 0.00 0.00 0.00 23.12 24.25 2j4m s ALA 78 CO 0.04 -0.50 0.08 0.12 0.00 0.00 0.00 175.76 175.49 2j4m s PHE 79 N -4.00 3.37 0.05 0.00 5.36 -1.26 -2.13 117.98 119.37 2j4m s PHE 79 Ca 0.33 -1.99 0.02 0.00 -0.96 0.00 0.00 56.93 54.33 2j4m s PHE 79 Cb 0.07 -2.48 -0.03 0.00 -0.34 0.00 0.00 43.02 40.25 2j4m s PHE 79 CO 0.08 -0.85 -0.08 -1.83 -1.46 0.00 0.00 175.22 171.09 2j4m s GLU 80 N 1.23 0.58 -1.64 10.12 4.04 -1.08 -4.78 118.70 127.16 2j4m s GLU 80 Ca -0.00 -0.85 0.00 0.00 0.04 0.00 0.00 54.97 54.16 2j4m s GLU 80 Cb -0.21 -0.28 0.00 0.00 0.02 0.00 0.00 34.13 33.66 2j4m s GLU 80 CO -0.02 0.04 0.00 0.09 -1.84 0.00 0.00 175.26 173.54 2j4m n ASN 81 N 1.23 -4.54 -2.44 0.83 3.02 -1.26 -1.14 115.26 110.96 2j4m n ASN 81 Ca -0.21 0.30 -0.16 0.00 -0.03 0.00 0.00 54.58 54.48 2j4m n ASN 81 Cb 0.56 -4.00 0.05 0.00 -0.61 0.00 0.00 39.78 35.77 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 -0.51 -0.07 3.19 7.41 0.00 -1.26 -5.02 105.19 108.93 2j4m n GLY 82 Ca -0.18 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 2j4m n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j4m s ASN 83 N -3.11 -0.20 -1.21 1.61 4.22 -0.29 -5.08 114.94 110.89 2j4m s ASN 83 Ca 0.34 0.23 -0.20 0.00 -2.14 0.00 0.00 52.86 51.09 2j4m s ASN 83 Cb -0.15 0.40 0.05 0.00 1.28 0.00 0.00 41.25 42.83 2j4m s ASN 83 CO 0.42 -0.30 1.68 0.26 -2.04 0.00 0.00 177.10 177.13 2j4m s TRP 84 N -0.76 2.63 0.63 1.54 0.23 -1.26 -2.65 118.94 119.30 2j4m s TRP 84 Ca -0.08 -1.21 0.02 0.00 -2.03 0.00 0.00 56.10 52.79 2j4m s TRP 84 Cb -0.04 -4.67 0.08 0.00 0.03 0.00 0.00 33.47 28.87 2j4m s TRP 84 CO 0.02 -1.80 0.87 0.00 0.96 0.00 0.00 176.95 177.00 2j4m s GLY 86 N -4.60 1.73 0.19 0.00 0.00 -0.94 -1.82 107.32 101.87 2j4m s GLY 86 Ca 0.62 -1.70 -0.30 0.00 0.00 0.00 0.00 44.72 43.34 2j4m s GLY 86 CO 0.41 -1.74 0.95 -0.42 0.00 0.00 0.00 173.10 172.31 2j4m s ILE 87 N -2.36 4.22 0.77 0.90 1.09 -1.15 0.72 121.20 125.39 2j4m s ILE 87 Ca 0.33 2.07 -0.12 0.00 -1.10 0.00 0.00 60.65 61.83 2j4m s ILE 87 Cb -0.05 -4.32 0.06 0.00 -1.06 0.00 0.00 42.46 37.09 2j4m s ILE 87 CO 0.20 0.43 1.11 -0.54 -0.10 0.00 0.00 174.94 176.04 2j4m s LYS 88 N -0.73 2.28 0.18 2.79 -0.14 -1.26 -0.89 119.74 121.97 2j4m s LYS 88 Ca 0.43 0.47 0.12 0.00 -1.36 0.00 0.00 55.97 55.64 2j4m s LYS 88 Cb -0.25 -1.95 0.66 0.00 -1.68 0.00 0.00 37.83 34.60 2j4m s LYS 88 CO 0.31 -1.45 1.36 0.09 -0.76 0.00 0.00 175.35 174.91 2j4m n ASN 89 N -3.29 0.31 0.20 2.83 3.02 -1.13 -1.42 115.26 115.79 2j4m n ASN 89 Ca 0.07 0.64 0.06 0.00 -0.03 0.00 0.00 54.58 55.32 2j4m n ASN 89 Cb 0.57 -0.68 0.44 0.00 -0.61 0.00 0.00 39.78 39.51 2j4m n ASN 89 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2j4m h SER 90 N 0.00 0.00 -1.06 6.41 0.02 -1.88 -3.24 113.55 113.80 2j4m h SER 90 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 2j4m h SER 90 Cb 0.03 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.41 2j4m h SER 90 CO 0.00 0.31 1.06 0.00 -1.14 0.00 0.00 176.83 177.06 2j4m n LYS 92 N 1.21 0.00 -3.60 0.00 2.85 -1.22 -5.00 118.16 112.41 2j4m n LYS 92 Ca 0.53 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.79 2j4m n LYS 92 Cb 0.46 -0.46 -0.04 0.00 -0.65 0.00 0.00 35.03 34.34 2j4m n LYS 92 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 2j4m s GLN 93 N -1.42 0.57 0.19 -1.58 -0.21 -1.26 -5.05 119.66 110.91 2j4m s GLN 93 Ca 0.00 1.41 -0.12 0.00 0.02 0.00 0.00 55.36 56.66 2j4m s GLN 93 Cb 0.00 0.84 0.11 0.00 1.00 0.00 0.00 33.01 34.96 2j4m s GLN 93 CO 0.00 -0.24 1.85 -0.56 -2.12 0.00 0.00 175.29 174.22 2j4m h GLN 94 N 7.99 0.81 -0.02 2.91 -0.00 -1.97 -2.27 115.11 122.56 2j4m h GLN 94 Ca -0.18 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.42 2j4m h GLN 94 Cb 1.11 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.48 28.40 2j4m h GLN 94 CO 0.11 0.53 0.02 -1.00 -0.00 0.00 0.00 178.83 178.50 2j4m h PRO 95 N 0.83 0.00 -3.92 0.06 0.13 -1.98 -3.48 132.00 123.64 2j4m h PRO 95 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 2j4m h PRO 95 Cb -0.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.05 2j4m h PRO 95 CO -0.06 0.00 -0.42 0.00 -0.23 0.00 0.00 178.00 177.29 2j4m n GLN 96 N -3.95 -0.30 -1.38 0.86 10.64 -0.85 -4.48 117.38 117.91 2j4m n GLN 96 Ca -0.03 0.50 -0.52 0.00 -1.83 0.00 0.00 57.00 55.13 2j4m n GLN 96 Cb 0.10 -0.53 -0.10 0.00 -0.86 0.00 0.00 30.24 28.85 2j4m n GLN 96 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2j4m n ASN 97 N 1.51 1.36 -4.99 2.61 3.02 -1.26 -4.78 115.26 112.73 2j4m n ASN 97 Ca 0.00 0.43 -0.19 0.00 -0.03 0.00 0.00 54.58 54.79 2j4m n ASN 97 Cb 0.21 -1.09 -0.01 0.00 -0.61 0.00 0.00 39.78 38.28 2j4m n ASN 97 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2j4m s ASN 98 N 7.30 6.05 -0.62 6.41 0.02 -1.26 -4.57 114.94 128.27 2j4m s ASN 98 Ca 1.16 -0.13 -0.05 0.00 -1.02 0.00 0.00 52.86 52.82 2j4m s ASN 98 Cb -1.12 -1.37 0.16 0.00 0.02 0.00 0.00 41.25 38.94 2j4m s ASN 98 CO 0.54 -0.35 0.46 0.20 0.02 0.00 0.00 177.10 177.97 2j4m s ASN 99 N -4.13 5.49 0.00 -1.22 0.01 -1.26 -5.19 114.94 108.64 2j4m s ASN 99 Ca 0.42 -2.67 0.00 0.00 -0.71 0.00 0.00 52.86 49.90 2j4m s ASN 99 Cb -0.09 -1.92 0.00 0.00 0.41 0.00 0.00 41.25 39.65 2j4m s ASN 99 CO 0.31 -0.44 0.16 1.67 -1.51 0.00 0.00 177.10 177.28