#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j4n s MET 2 N 0.00 0.69 -0.05 0.00 0.00 -1.08 -4.94 119.30 113.91 2j4n s MET 2 Ca 0.00 -0.29 0.05 0.00 0.00 0.00 0.00 55.69 55.45 2j4n s MET 2 Cb 0.00 0.07 0.12 0.00 0.00 0.00 0.00 34.83 35.01 2j4n s MET 2 CO 0.00 -0.98 1.10 0.00 0.00 0.00 0.00 175.02 175.14 2j4n n ALA 3 N 4.09 3.47 -1.90 3.16 0.00 -1.26 -4.74 120.51 123.33 2j4n n ALA 3 Ca 0.10 -0.96 -0.30 0.00 0.00 0.00 0.00 53.44 52.29 2j4n n ALA 3 Cb 0.58 -0.46 0.03 0.00 0.00 0.00 0.00 19.45 19.61 2j4n n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2j4n n TRP 5 N -2.86 0.03 0.06 0.00 4.27 -1.26 -3.89 117.44 113.78 2j4n n TRP 5 Ca 0.06 0.01 -0.06 0.00 -3.89 0.00 0.00 57.50 53.62 2j4n n TRP 5 Cb 0.56 -0.23 -0.11 0.00 -1.36 0.00 0.00 31.31 30.18 2j4n n TRP 5 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2j4n h ALA 6 N 2.96 0.43 0.00 -1.67 0.00 -1.91 -3.24 119.26 115.83 2j4n h ALA 6 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.99 2j4n h ALA 6 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2j4n h ALA 6 CO 0.00 1.22 0.00 -0.56 0.00 0.00 0.00 179.25 179.91 2j4n h GLN 7 N 0.00 0.00 -0.43 0.00 3.07 0.50 -1.86 115.11 116.40 2j4n h GLN 7 Ca -0.04 0.00 0.13 0.00 0.09 0.00 0.00 58.65 58.83 2j4n h GLN 7 Cb 1.75 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.29 2j4n h GLN 7 CO 0.12 0.00 0.43 1.03 0.09 0.00 0.00 178.83 180.50 2j4n h SER 8 N 0.00 0.00 0.00 0.06 0.87 -1.78 0.65 113.55 113.34 2j4n h SER 8 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2j4n h SER 8 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2j4n h SER 8 CO 0.00 0.00 -1.33 0.00 -0.53 0.00 0.00 176.83 174.97 2j4n n GLN 9 N -3.81 1.05 0.00 2.24 10.64 -0.75 -4.98 117.38 121.77 2j4n n GLN 9 Ca 0.08 -0.09 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 2j4n n GLN 9 Cb 0.62 -1.27 0.00 0.00 -0.86 0.00 0.00 30.24 28.73 2j4n n GLN 9 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2j4n n GLY 10 N 1.61 1.20 3.56 2.61 0.00 0.22 -5.13 105.19 109.25 2j4n n GLY 10 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 2j4n n GLY 10 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2j4n s TYR 11 N -1.46 3.08 0.74 1.61 1.51 -0.88 -4.90 117.35 117.06 2j4n s TYR 11 Ca 0.00 -0.14 -0.12 0.00 -1.01 0.00 0.00 57.07 55.81 2j4n s TYR 11 Cb 0.00 -1.94 0.04 0.00 -0.11 0.00 0.00 41.96 39.94 2j4n s TYR 11 CO 0.00 0.09 1.12 -0.80 -1.11 0.00 0.00 175.55 174.86 2j4n s ASN 12 N 0.12 5.10 0.50 2.29 0.01 -1.26 0.98 114.94 122.67 2j4n s ASN 12 Ca 0.00 1.03 -0.18 0.00 -0.71 0.00 0.00 52.86 53.01 2j4n s ASN 12 Cb -0.13 -1.73 -0.08 0.00 0.41 0.00 0.00 41.25 39.71 2j4n s ASN 12 CO 0.02 -1.56 0.99 0.00 -1.51 0.00 0.00 177.10 175.05 2j4n s ASN 15 N 1.10 5.67 0.00 0.00 2.47 -1.26 -2.97 114.94 119.95 2j4n s ASN 15 Ca 0.34 1.56 0.00 0.00 0.42 0.00 0.00 52.86 55.18 2j4n s ASN 15 Cb -0.16 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 2j4n s ASN 15 CO 0.13 -1.84 0.00 0.59 -3.72 0.00 0.00 177.10 172.26 2j4n n ASN 16 N 11.00 -0.77 0.24 -4.21 3.02 -1.26 -5.00 115.26 118.27 2j4n n ASN 16 Ca 0.26 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.97 2j4n n ASN 16 Cb 0.46 -0.19 0.68 0.00 -0.61 0.00 0.00 39.78 40.11 2j4n n ASN 16 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2j4n h PRO 17 N 0.00 0.00 0.00 3.52 0.13 -1.83 -2.55 132.00 131.27 2j4n h PRO 17 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2j4n h PRO 17 Cb 0.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.52 2j4n h PRO 17 CO 0.00 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.20 2j4n n SER 18 N -2.83 0.00 -1.68 1.44 7.64 -1.26 -3.22 113.62 113.71 2j4n n SER 18 Ca 0.01 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.90 2j4n n SER 18 Cb 0.26 -0.29 0.01 0.00 -1.01 0.00 0.00 64.21 63.18 2j4n n SER 18 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2j4n n SER 19 N -1.29 0.55 -4.45 6.43 2.88 -0.97 -5.04 113.62 111.73 2j4n n SER 19 Ca 0.10 -2.02 -0.42 0.00 -1.33 0.00 0.00 58.87 55.21 2j4n n SER 19 Cb 0.17 -0.15 -0.10 0.00 -0.75 0.00 0.00 64.21 63.37 2j4n n SER 19 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2j4n s THR 20 N -0.60 5.05 -0.25 2.46 2.01 -1.15 -5.03 115.64 118.12 2j4n s THR 20 Ca 0.25 -0.62 -0.28 0.00 0.31 0.00 0.00 61.69 61.35 2j4n s THR 20 Cb 0.30 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 2j4n s THR 20 CO -0.11 -0.21 2.02 -0.75 -0.69 0.00 0.00 174.62 174.87 2j4n s LYS 21 N 1.65 3.27 -0.77 4.92 2.36 -1.26 -4.90 119.74 125.01 2j4n s LYS 21 Ca 0.04 1.79 -0.23 0.00 -2.55 0.00 0.00 55.97 55.03 2j4n s LYS 21 Cb -0.19 -4.28 0.07 0.00 -1.05 0.00 0.00 37.83 32.38 2j4n s LYS 21 CO 0.09 -1.93 1.13 0.08 1.55 0.00 0.00 175.35 176.27 2j4n s VAL 22 N 7.48 4.20 -1.43 4.02 1.01 -1.26 -4.37 120.40 130.04 2j4n s VAL 22 Ca 0.91 -0.45 0.30 0.00 0.00 0.00 0.00 61.98 62.73 2j4n s VAL 22 Cb -0.29 -4.81 0.46 0.00 0.00 0.00 0.00 36.38 31.75 2j4n s VAL 22 CO 0.34 -1.63 1.97 -1.84 0.00 0.00 0.00 175.10 173.95 2j4n n GLU 23 N 8.06 0.44 -4.07 2.72 0.28 -1.10 -4.78 120.64 122.19 2j4n n GLU 23 Ca 0.08 -0.06 -0.16 0.00 -0.16 0.00 0.00 57.16 56.85 2j4n n GLU 23 Cb 0.48 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.70 2j4n n GLU 23 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 2j4n s TYR 24 N -2.60 0.40 -0.28 -1.84 5.04 -1.15 -5.05 117.35 111.86 2j4n s TYR 24 Ca 0.27 -0.07 -0.03 0.00 -2.44 0.00 0.00 57.07 54.80 2j4n s TYR 24 Cb 0.20 -0.32 0.16 0.00 0.35 0.00 0.00 41.96 42.35 2j4n s TYR 24 CO 0.48 -0.05 0.53 0.99 -1.34 0.00 0.00 175.55 176.16 2j4n s THR 25 N 0.24 -0.86 0.00 4.34 2.01 -1.26 -0.96 115.64 119.15 2j4n s THR 25 Ca -0.02 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.97 2j4n s THR 25 Cb -0.05 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.53 2j4n s THR 25 CO -0.00 -0.03 0.00 -0.90 -0.69 0.00 0.00 174.62 173.00 2j4n n ASP 26 N 5.41 0.36 0.00 3.53 5.75 -1.05 -4.98 116.55 125.58 2j4n n ASP 26 Ca -0.04 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.88 2j4n n ASP 26 Cb 0.50 0.00 0.78 0.00 -1.03 0.00 0.00 41.12 41.37 2j4n n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2j4n n ALA 27 N -3.00 2.63 -0.06 2.12 0.00 -1.26 -3.16 120.51 117.78 2j4n n ALA 27 Ca 0.00 -0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.13 2j4n n ALA 27 Cb 0.00 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 17.88 2j4n n ALA 27 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2j4n n SER 28 N -0.92 1.32 0.00 0.00 3.41 -1.26 -5.10 113.62 111.06 2j4n n SER 28 Ca 0.20 0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2j4n n SER 28 Cb 0.09 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2j4n n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2j4n n GLY 29 N 1.90 0.30 3.77 5.00 0.00 -1.19 -5.00 105.19 109.96 2j4n n GLY 29 Ca -0.32 -1.26 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 2j4n n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j4n s GLN 30 N -2.00 3.15 0.03 1.61 -0.21 -1.26 -2.54 119.66 118.44 2j4n s GLN 30 Ca 0.00 -0.32 0.03 0.00 0.02 0.00 0.00 55.36 55.09 2j4n s GLN 30 Cb 0.00 -2.94 -0.02 0.00 1.00 0.00 0.00 33.01 31.05 2j4n s GLN 30 CO 0.00 0.72 -0.08 -1.58 -2.12 0.00 0.00 175.29 172.23 2j4n s TRP 31 N -0.98 0.73 0.06 0.91 0.52 -0.13 -2.16 118.94 117.89 2j4n s TRP 31 Ca 0.15 -0.35 -0.17 0.00 0.02 0.00 0.00 56.10 55.75 2j4n s TRP 31 Cb -0.12 -0.44 0.03 0.00 -1.15 0.00 0.00 33.47 31.80 2j4n s TRP 31 CO 0.04 -0.04 0.40 0.20 0.02 0.00 0.00 176.95 177.58 2j4n s GLY 32 N -1.08 -0.26 -0.51 0.98 0.00 -0.64 -2.70 107.32 103.11 2j4n s GLY 32 Ca -0.04 0.21 -0.17 0.00 0.00 0.00 0.00 44.72 44.73 2j4n s GLY 32 CO 0.00 -0.04 0.49 0.14 0.00 0.00 0.00 173.10 173.70 2j4n s VAL 33 N -2.73 5.12 -0.15 1.40 1.01 -1.26 -2.32 120.40 121.46 2j4n s VAL 33 Ca -0.04 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.90 2j4n s VAL 33 Cb -0.00 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2j4n s VAL 33 CO -0.04 -0.74 -0.18 -1.58 0.00 0.00 0.00 175.10 172.55 2j4n s GLN 34 N 1.92 3.13 -1.68 2.72 0.74 -1.03 -4.62 119.66 120.84 2j4n s GLN 34 Ca 0.07 -0.80 -0.02 0.00 0.05 0.00 0.00 55.36 54.66 2j4n s GLN 34 Cb -0.25 -2.54 0.00 0.00 1.10 0.00 0.00 33.01 31.32 2j4n s GLN 34 CO 0.07 -0.01 0.22 -1.71 -0.55 0.00 0.00 175.29 173.31 2j4n n ASN 35 N 4.09 -5.93 -2.61 6.67 5.15 -1.26 -2.40 115.26 118.96 2j4n n ASN 35 Ca -0.19 -0.12 -0.13 0.00 -0.60 0.00 0.00 54.58 53.54 2j4n n ASN 35 Cb 0.52 -4.87 0.06 0.00 -0.53 0.00 0.00 39.78 34.95 2j4n n ASN 35 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2j4n n GLY 36 N -1.20 -0.08 3.21 8.20 0.00 -1.26 -5.04 105.19 109.01 2j4n n GLY 36 Ca -0.20 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 2j4n n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j4n s GLN 37 N -5.20 0.31 -0.94 1.61 -1.52 -1.01 -5.09 119.66 107.82 2j4n s GLN 37 Ca 0.12 0.82 -0.24 0.00 -1.95 0.00 0.00 55.36 54.11 2j4n s GLN 37 Cb -0.05 0.07 0.02 0.00 -0.22 0.00 0.00 33.01 32.83 2j4n s GLN 37 CO 0.49 -0.20 1.55 -0.46 -0.25 0.00 0.00 175.29 176.42 2j4n s TRP 38 N 1.88 2.30 0.38 0.91 -0.00 -1.26 -2.46 118.94 120.70 2j4n s TRP 38 Ca -0.06 -0.35 0.08 0.00 -0.00 0.00 0.00 56.10 55.77 2j4n s TRP 38 Cb -0.10 -4.52 -0.06 0.00 -0.00 0.00 0.00 33.47 28.79 2j4n s TRP 38 CO -0.12 -1.93 0.07 0.00 -0.00 0.00 0.00 176.95 174.97 2j4n s GLY 40 N -3.78 1.48 -0.63 0.00 0.00 -1.23 -1.63 107.32 101.53 2j4n s GLY 40 Ca 0.37 -0.69 -0.15 0.00 0.00 0.00 0.00 44.72 44.24 2j4n s GLY 40 CO 0.20 -0.54 0.58 -0.42 0.00 0.00 0.00 173.10 172.92 2j4n s ILE 41 N -2.64 5.32 -0.40 0.90 1.09 -0.92 -2.50 121.20 122.05 2j4n s ILE 41 Ca 0.46 -1.81 0.03 0.00 -1.10 0.00 0.00 60.65 58.24 2j4n s ILE 41 Cb -0.10 -4.37 0.11 0.00 -1.06 0.00 0.00 42.46 37.04 2j4n s ILE 41 CO 0.42 -0.92 0.13 -0.62 -0.10 0.00 0.00 174.94 173.85 2j4n s ASP 42 N 3.14 4.51 0.66 3.58 -1.08 -1.26 -4.82 116.67 121.40 2j4n s ASP 42 Ca 0.08 -2.40 0.37 0.00 -0.52 0.00 0.00 52.55 50.08 2j4n s ASP 42 Cb -0.24 -1.53 2.03 0.00 -1.46 0.00 0.00 42.92 41.71 2j4n s ASP 42 CO -0.01 -0.33 2.15 1.88 0.52 0.00 0.00 175.17 179.38 2j4n h TYR 43 N 7.27 0.00 -1.44 -5.34 0.99 -1.94 -2.10 116.97 114.41 2j4n h TYR 43 Ca -0.06 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.10 2j4n h TYR 43 Cb 0.98 0.00 -0.42 0.00 1.00 0.00 0.00 36.73 38.29 2j4n h TYR 43 CO 0.47 0.00 -0.78 0.43 -0.00 0.00 0.00 178.16 178.28 2j4n n SER 44 N -3.02 4.42 -4.61 3.88 7.64 -1.26 -4.93 113.62 115.74 2j4n n SER 44 Ca -0.02 -3.63 -0.41 0.00 1.01 0.00 0.00 58.87 55.82 2j4n n SER 44 Cb 0.23 -0.46 -0.06 0.00 -1.01 0.00 0.00 64.21 62.91 2j4n n SER 44 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2j4n s TYR 45 N -3.51 3.24 0.00 1.43 1.13 -0.79 -4.83 117.35 114.02 2j4n s TYR 45 Ca 0.46 0.74 0.00 0.00 -1.41 0.00 0.00 57.07 56.86 2j4n s TYR 45 Cb 0.41 -2.98 0.00 0.00 -1.10 0.00 0.00 41.96 38.29 2j4n s TYR 45 CO -0.16 -0.43 0.02 0.41 -2.51 0.00 0.00 175.55 172.87 2j4n n GLY 46 N 4.25 0.00 3.84 5.49 0.00 -1.26 -4.78 105.19 112.73 2j4n n GLY 46 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2j4n n GLY 46 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j4n s GLN 47 N 0.08 2.33 0.58 1.61 -1.52 -1.26 0.14 119.66 121.62 2j4n s GLN 47 Ca 0.00 -1.83 -0.05 0.00 -1.95 0.00 0.00 55.36 51.53 2j4n s GLN 47 Cb 0.00 -2.14 0.01 0.00 -0.22 0.00 0.00 33.01 30.66 2j4n s GLN 47 CO 0.00 -0.34 0.88 0.54 -0.25 0.00 0.00 175.29 176.13 2j4n s ASN 48 N -4.12 5.54 -0.31 5.90 2.20 -1.26 -4.81 114.94 118.08 2j4n s ASN 48 Ca 0.40 0.63 -0.00 0.00 -0.94 0.00 0.00 52.86 52.94 2j4n s ASN 48 Cb -0.01 -1.61 0.27 0.00 -2.00 0.00 0.00 41.25 37.90 2j4n s ASN 48 CO 0.23 -1.08 1.85 0.00 -2.94 0.00 0.00 177.10 175.16 2j4n n GLN 49 N -2.55 1.80 -0.04 3.55 6.02 -1.26 -4.22 117.38 120.68 2j4n n GLN 49 Ca 0.05 -1.65 -0.10 0.00 -0.01 0.00 0.00 57.00 55.29 2j4n n GLN 49 Cb 0.58 -1.65 -0.14 0.00 1.02 0.00 0.00 30.24 30.05 2j4n n GLN 49 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2j4n n GLY 50 N 0.06 -0.96 0.00 1.08 0.00 -1.26 -4.15 105.19 99.96 2j4n n GLY 50 Ca 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2j4n n GLY 50 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2j4n n ASN 51 N -3.02 0.00 -0.01 1.61 0.23 -1.26 -4.81 115.26 108.01 2j4n n ASN 51 Ca -0.22 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.69 2j4n n ASN 51 Cb 1.07 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.75 2j4n n ASN 51 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2j4n h GLU 52 N 0.00 0.69 -2.83 -3.83 3.07 -1.94 -3.47 114.58 106.27 2j4n h GLU 52 Ca 0.00 -0.53 -0.02 0.00 -0.50 0.00 0.00 59.36 58.31 2j4n h GLU 52 Cb 0.00 0.10 -0.13 0.00 -0.84 0.00 0.00 28.75 27.88 2j4n h GLU 52 CO 0.00 1.14 0.21 -1.12 -1.40 0.00 0.00 179.01 177.85 2j4n s SER 53 N -7.03 -0.58 0.27 1.42 0.01 -1.26 -4.70 113.70 101.83 2j4n s SER 53 Ca -0.09 0.11 0.08 0.00 1.31 0.00 0.00 55.95 57.36 2j4n s SER 53 Cb 0.10 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.88 2j4n s SER 53 CO 0.88 -0.91 0.17 0.00 0.41 0.00 0.00 173.24 173.79 2j4n s THR 55 N -2.21 4.51 0.00 0.00 2.01 -0.92 -3.78 115.64 115.25 2j4n s THR 55 Ca 0.34 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.59 2j4n s THR 55 Cb -0.07 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.76 2j4n s THR 55 CO 0.24 -0.53 0.00 0.61 -0.69 0.00 0.00 174.62 174.25 2j4n n GLY 56 N -1.20 0.80 0.00 4.40 0.00 -1.26 -1.77 105.19 106.16 2j4n n GLY 56 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 2j4n n GLY 56 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2j4n n ASN 57 N 0.00 0.00 0.04 1.61 0.23 -1.25 -0.84 115.26 115.06 2j4n n ASN 57 Ca 0.00 -1.25 0.13 0.00 -0.53 0.00 0.00 54.58 52.92 2j4n n ASN 57 Cb 0.00 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.05 2j4n n ASN 57 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2j4n n GLY 58 N 0.82 -1.46 0.21 4.83 0.00 -1.26 -4.71 105.19 103.62 2j4n n GLY 58 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2j4n n GLY 58 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2j4n n SER 59 N -1.85 0.00 -4.96 1.61 2.88 -1.19 -5.15 113.62 104.95 2j4n n SER 59 Ca 0.05 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.36 2j4n n SER 59 Cb 0.39 0.05 0.03 0.00 -0.75 0.00 0.00 64.21 63.93 2j4n n SER 59 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2j4n s TYR 60 N -1.11 1.49 0.14 0.66 2.02 -0.02 -5.13 117.35 115.41 2j4n s TYR 60 Ca 0.00 -0.80 -0.08 0.00 -0.37 0.00 0.00 57.07 55.83 2j4n s TYR 60 Cb 0.00 -2.04 -0.06 0.00 -0.40 0.00 0.00 41.96 39.46 2j4n s TYR 60 CO 0.00 -0.80 0.42 -1.25 -1.57 0.00 0.00 175.55 172.35 2j4n s PRO 61 N -4.46 3.71 1.26 -1.71 0.04 -1.25 -3.74 135.00 128.83 2j4n s PRO 61 Ca 0.46 0.08 -0.21 0.00 0.04 0.00 0.00 61.00 61.37 2j4n s PRO 61 Cb -0.04 -2.85 0.31 0.00 0.04 0.00 0.00 34.50 31.97 2j4n s PRO 61 CO 0.29 0.46 1.08 0.00 0.04 0.00 0.00 177.00 178.87 2j4n n ASN 64 N -3.03 0.00 -4.00 0.00 2.04 -1.26 -5.00 115.26 104.01 2j4n n ASN 64 Ca -0.01 0.00 -0.12 0.00 -0.44 0.00 0.00 54.58 54.01 2j4n n ASN 64 Cb 0.03 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.16 2j4n n ASN 64 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 2j4n s THR 65 N -1.97 0.31 -0.44 5.53 -1.32 -1.26 -5.03 115.64 111.46 2j4n s THR 65 Ca 0.00 -0.79 0.02 0.00 -1.21 0.00 0.00 61.69 59.71 2j4n s THR 65 Cb 0.00 -0.39 0.50 0.00 -1.51 0.00 0.00 72.50 71.11 2j4n s THR 65 CO 0.00 -0.31 1.86 0.00 -2.21 0.00 0.00 174.62 173.95 2j4n s GLN 67 N -2.91 2.26 -0.92 0.00 -0.44 -1.26 -4.97 119.66 111.41 2j4n s GLN 67 Ca 0.50 -2.46 -0.19 0.00 -2.50 0.00 0.00 55.36 50.71 2j4n s GLN 67 Cb 0.41 -3.55 0.12 0.00 -1.64 0.00 0.00 33.01 28.35 2j4n s GLN 67 CO 0.06 -1.13 1.14 0.00 0.50 0.00 0.00 175.29 175.86 2j4n s ALA 68 N 0.03 3.31 0.62 1.58 0.00 -1.26 -4.42 121.76 121.62 2j4n s ALA 68 Ca 0.16 -2.69 0.36 0.00 0.00 0.00 0.00 51.96 49.79 2j4n s ALA 68 Cb -0.22 -4.07 2.08 0.00 0.00 0.00 0.00 23.12 20.91 2j4n s ALA 68 CO -0.03 -3.01 2.30 0.00 0.00 0.00 0.00 175.76 175.02 2j4n h THR 69 N 5.91 0.31 -2.76 0.00 1.03 -1.42 -3.43 112.91 112.55 2j4n h THR 69 Ca 0.14 0.00 -0.12 0.00 -0.01 0.00 0.00 66.41 66.42 2j4n h THR 69 Cb 1.03 1.00 -0.24 0.00 -1.07 0.00 0.00 68.15 68.86 2j4n h THR 69 CO 1.13 0.00 -0.24 -0.72 -0.01 0.00 0.00 175.52 175.69 2j4n s TYR 70 N -4.43 -0.44 -0.03 0.00 1.13 -0.45 -5.02 117.35 108.12 2j4n s TYR 70 Ca -0.05 1.06 0.08 0.00 -1.41 0.00 0.00 57.07 56.74 2j4n s TYR 70 Cb 0.14 0.15 -0.02 0.00 -1.10 0.00 0.00 41.96 41.14 2j4n s TYR 70 CO 0.49 -0.23 -0.26 0.99 -2.51 0.00 0.00 175.55 174.04 2j4n s THR 71 N 0.14 2.08 0.00 -3.49 2.01 -1.26 0.19 115.64 115.31 2j4n s THR 71 Ca -0.01 -1.09 0.00 0.00 0.31 0.00 0.00 61.69 60.90 2j4n s THR 71 Cb -0.03 -1.72 0.00 0.00 0.01 0.00 0.00 72.50 70.76 2j4n s THR 71 CO 0.01 0.58 0.00 -0.67 -0.69 0.00 0.00 174.62 173.85 2j4n n ASP 72 N 2.51 1.73 0.00 3.53 4.64 0.16 -4.96 116.55 124.16 2j4n n ASP 72 Ca -0.16 -0.66 0.07 0.00 -1.38 0.00 0.00 54.79 52.66 2j4n n ASP 72 Cb 0.51 0.00 0.42 0.00 -1.04 0.00 0.00 41.12 41.01 2j4n n ASP 72 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2j4n n GLY 73 N 4.33 -0.61 0.06 0.27 0.00 -1.26 -2.27 105.19 105.71 2j4n n GLY 73 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 46.02 45.94 2j4n n GLY 73 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2j4n n ASP 74 N -0.86 1.82 0.00 1.61 10.43 -1.26 -5.11 116.55 123.18 2j4n n ASP 74 Ca 0.11 -1.74 0.00 0.00 2.57 0.00 0.00 54.79 55.72 2j4n n ASP 74 Cb 0.05 -0.02 0.00 0.00 1.84 0.00 0.00 41.12 42.99 2j4n n ASP 74 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2j4n n GLY 75 N -0.28 0.53 3.94 0.44 0.00 -0.96 -4.82 105.19 104.05 2j4n n GLY 75 Ca 0.01 -2.09 -0.24 0.00 0.00 0.00 0.00 46.02 43.70 2j4n n GLY 75 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2j4n s ASP 76 N -4.00 6.07 0.01 1.61 1.11 -1.26 0.37 116.67 120.58 2j4n s ASP 76 Ca 0.00 0.43 -0.12 0.00 0.18 0.00 0.00 52.55 53.04 2j4n s ASP 76 Cb 0.00 -1.83 0.02 0.00 1.07 0.00 0.00 42.92 42.18 2j4n s ASP 76 CO 0.00 -0.52 0.26 0.26 1.18 0.00 0.00 175.17 176.35 2j4n s TRP 77 N -2.48 -0.09 -0.02 4.23 0.52 0.52 -1.47 118.94 120.15 2j4n s TRP 77 Ca 0.45 0.05 -0.07 0.00 0.02 0.00 0.00 56.10 56.55 2j4n s TRP 77 Cb -0.10 0.05 0.01 0.00 -1.15 0.00 0.00 33.47 32.28 2j4n s TRP 77 CO 0.38 -0.40 0.14 0.00 0.02 0.00 0.00 176.95 177.10 2j4n s ALA 78 N -1.75 -0.35 -0.49 0.98 0.00 -0.03 -0.93 121.76 119.20 2j4n s ALA 78 Ca -0.11 0.07 -0.20 0.00 0.00 0.00 0.00 51.96 51.73 2j4n s ALA 78 Cb -0.04 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.10 2j4n s ALA 78 CO 0.01 -0.16 0.63 0.12 0.00 0.00 0.00 175.76 176.36 2j4n s PHE 79 N -0.85 3.05 0.04 0.00 5.99 -1.26 -1.16 117.98 123.78 2j4n s PHE 79 Ca -0.09 -0.39 0.01 0.00 0.00 0.00 0.00 56.93 56.46 2j4n s PHE 79 Cb -0.05 -3.46 -0.02 0.00 0.00 0.00 0.00 43.02 39.48 2j4n s PHE 79 CO 0.01 -0.98 -0.06 -2.00 -0.00 0.00 0.00 175.22 172.19 2j4n s GLU 80 N 2.69 0.48 -1.11 10.12 2.56 -1.06 -4.81 118.70 127.56 2j4n s GLU 80 Ca 0.17 -0.77 0.00 0.00 0.00 0.00 0.00 54.97 54.37 2j4n s GLU 80 Cb -0.17 -0.11 0.00 0.00 2.00 0.00 0.00 34.13 35.84 2j4n s GLU 80 CO 0.14 0.00 0.00 0.09 -0.56 0.00 0.00 175.26 174.93 2j4n n ASN 81 N 1.33 -3.84 -1.88 -1.70 3.02 -1.26 -0.02 115.26 110.91 2j4n n ASN 81 Ca -0.22 0.21 -0.17 0.00 -0.03 0.00 0.00 54.58 54.37 2j4n n ASN 81 Cb 0.56 -3.31 -0.02 0.00 -0.61 0.00 0.00 39.78 36.39 2j4n n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2j4n n GLY 82 N -0.71 -0.02 2.89 7.41 0.00 -1.26 -4.99 105.19 108.50 2j4n n GLY 82 Ca -0.14 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 2j4n n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j4n s ASN 83 N -2.31 0.32 -0.66 1.61 2.20 0.97 -5.09 114.94 111.98 2j4n s ASN 83 Ca 0.00 -0.04 -0.26 0.00 -0.94 0.00 0.00 52.86 51.62 2j4n s ASN 83 Cb 0.00 -0.08 -0.03 0.00 -2.00 0.00 0.00 41.25 39.14 2j4n s ASN 83 CO 0.00 -0.00 1.90 0.26 -2.94 0.00 0.00 177.10 176.32 2j4n s TRP 84 N 0.22 1.65 0.31 1.54 0.23 -1.26 -2.57 118.94 119.06 2j4n s TRP 84 Ca -0.02 0.80 -0.02 0.00 -2.03 0.00 0.00 56.10 54.83 2j4n s TRP 84 Cb -0.04 -4.05 -0.04 0.00 0.03 0.00 0.00 33.47 29.36 2j4n s TRP 84 CO -0.01 -2.21 0.54 0.00 0.96 0.00 0.00 176.95 176.24 2j4n s GLY 86 N -3.55 1.78 -0.04 0.00 0.00 -0.73 -0.85 107.32 103.93 2j4n s GLY 86 Ca 0.42 -1.38 -0.38 0.00 0.00 0.00 0.00 44.72 43.38 2j4n s GLY 86 CO 0.33 0.62 1.49 1.39 0.00 0.00 0.00 173.10 176.94 2j4n n ILE 87 N 4.88 0.12 -1.22 0.90 -0.00 -0.54 -2.17 119.36 121.32 2j4n n ILE 87 Ca -0.15 -0.02 -0.38 0.00 -0.00 0.00 0.00 62.75 62.20 2j4n n ILE 87 Cb 0.49 -0.99 0.02 0.00 -0.00 0.00 0.00 39.64 39.15 2j4n n ILE 87 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2j4n n LYS 88 N 3.59 0.03 0.08 0.38 4.76 -1.26 -2.88 118.16 122.85 2j4n n LYS 88 Ca 0.21 0.01 0.09 0.00 -2.87 0.00 0.00 58.31 55.75 2j4n n LYS 88 Cb 0.17 -1.05 0.40 0.00 -1.84 0.00 0.00 35.03 32.72 2j4n n LYS 88 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2j4n n ASN 89 N 2.50 0.38 0.03 4.39 2.04 -0.59 -1.77 115.26 122.25 2j4n n ASN 89 Ca 0.07 0.61 -0.02 0.00 -0.44 0.00 0.00 54.58 54.80 2j4n n ASN 89 Cb 0.48 -0.68 -0.08 0.00 -2.53 0.00 0.00 39.78 36.96 2j4n n ASN 89 CO 0.00 0.00 0.00 -1.28 -0.44 0.00 0.00 177.26 175.54 2j4n h SER 90 N 0.00 0.00 -1.13 0.53 0.87 -1.77 -3.38 113.55 108.67 2j4n h SER 90 Ca 0.00 0.00 -0.74 0.00 -1.23 0.00 0.00 61.79 59.82 2j4n h SER 90 Cb 0.26 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.10 2j4n h SER 90 CO 0.00 0.67 2.42 0.00 -0.53 0.00 0.00 176.83 179.38 2j4n n LYS 92 N 1.74 0.00 0.00 0.00 5.02 -1.26 -4.76 118.16 118.90 2j4n n LYS 92 Ca 0.63 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 2j4n n LYS 92 Cb 0.25 -0.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.80 2j4n n LYS 92 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2j4n n GLN 93 N -3.02 0.00 -3.97 1.97 0.00 -1.26 -5.17 117.38 105.93 2j4n n GLN 93 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.00 56.92 2j4n n GLN 93 Cb 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.57 2j4n n GLN 93 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2j4n s GLN 94 N 0.00 0.75 -0.86 2.61 -0.21 -1.26 -5.07 119.66 115.62 2j4n s GLN 94 Ca 0.00 -1.10 -0.19 0.00 0.02 0.00 0.00 55.36 54.09 2j4n s GLN 94 Cb 0.00 0.28 -0.22 0.00 1.00 0.00 0.00 33.01 34.07 2j4n s GLN 94 CO 0.00 -0.20 2.27 -0.35 -2.12 0.00 0.00 175.29 174.88 2j4n n PRO 95 N 0.01 0.31 -1.83 2.91 -0.04 -1.26 -4.55 135.00 130.55 2j4n n PRO 95 Ca -0.14 -0.53 -0.38 0.00 -0.04 0.00 0.00 63.50 62.41 2j4n n PRO 95 Cb 0.62 -2.58 -0.03 0.00 -0.04 0.00 0.00 33.50 31.47 2j4n n PRO 95 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2j4n s GLN 96 N 8.06 2.49 -0.30 0.54 -1.52 -1.26 -4.85 119.66 122.83 2j4n s GLN 96 Ca 1.06 1.05 -0.18 0.00 -1.95 0.00 0.00 55.36 55.34 2j4n s GLN 96 Cb -0.41 -4.45 0.19 0.00 -0.22 0.00 0.00 33.01 28.12 2j4n s GLN 96 CO 0.28 -2.86 1.23 0.54 -0.25 0.00 0.00 175.29 174.22 2j4n s ASN 97 N 9.59 -0.17 0.05 5.90 2.20 -1.26 -4.32 114.94 126.93 2j4n s ASN 97 Ca 0.82 0.24 -0.31 0.00 -0.94 0.00 0.00 52.86 52.67 2j4n s ASN 97 Cb -0.16 1.18 -0.07 0.00 -2.00 0.00 0.00 41.25 40.20 2j4n s ASN 97 CO 0.24 -0.03 1.40 0.21 -2.94 0.00 0.00 177.10 175.98 2j4n s ASN 98 N 1.99 6.84 0.90 3.54 2.47 -1.26 -4.99 114.94 124.44 2j4n s ASN 98 Ca -0.01 2.21 -0.10 0.00 0.42 0.00 0.00 52.86 55.37 2j4n s ASN 98 Cb -0.02 -2.57 0.14 0.00 -1.45 0.00 0.00 41.25 37.35 2j4n s ASN 98 CO -0.16 -0.69 1.15 0.21 -3.72 0.00 0.00 177.10 173.89 2j4n s ASN 99 N 1.56 3.03 0.00 -4.21 3.84 -1.26 -5.28 114.94 112.62 2j4n s ASN 99 Ca 0.64 2.18 0.03 0.00 0.21 0.00 0.00 52.86 55.92 2j4n s ASN 99 Cb -0.34 -2.57 0.16 0.00 -0.55 0.00 0.00 41.25 37.96 2j4n s ASN 99 CO 0.28 -3.03 0.65 0.00 -2.79 0.00 0.00 177.10 172.21