#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 0.39 -0.05 0.00 -2.45 -1.23 -5.00 119.30 110.97 2j4n s MET 2 Ca 0.00 -0.16 0.05 0.00 -1.25 0.00 0.00 55.69 54.33 2j4n s MET 2 Cb 0.00 0.04 0.11 0.00 1.25 0.00 0.00 34.83 36.23 2j4n s MET 2 CO 0.00 -0.55 1.09 0.00 1.05 0.00 0.00 175.02 176.61 2j4n n ALA 3 N 3.80 3.48 -2.45 4.11 0.00 0.50 -4.93 120.51 125.02 2j4n n ALA 3 Ca 0.08 -0.95 -0.27 0.00 0.00 0.00 0.00 53.44 52.30 2j4n n ALA 3 Cb 0.61 -0.45 -0.01 0.00 0.00 0.00 0.00 19.45 19.60 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 -1.74 0.61 0.14 0.00 4.27 -1.26 -3.08 117.44 116.38 2j4n n TRP 5 Ca -0.02 0.24 -0.13 0.00 -3.89 0.00 0.00 57.50 53.70 2j4n n TRP 5 Cb 0.55 -0.88 -0.08 0.00 -1.36 0.00 0.00 31.31 29.54 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 2.33 -0.37 -0.81 -1.67 0.00 -1.86 -3.03 119.26 113.85 2j4n h ALA 6 Ca 0.00 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.82 2j4n h ALA 6 Cb 0.35 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 2j4n h ALA 6 CO 0.00 -0.53 0.53 -0.56 0.00 0.00 0.00 179.25 178.69 2j4n h GLN 7 N -0.72 0.76 0.00 0.00 3.07 0.52 0.46 115.11 119.20 2j4n h GLN 7 Ca -0.04 -0.05 -0.00 0.00 0.09 0.00 0.00 58.65 58.65 2j4n h GLN 7 Cb 0.49 -0.17 -0.00 0.00 0.08 0.00 0.00 27.48 27.88 2j4n h GLN 7 CO 0.06 0.51 -0.01 1.03 0.09 0.00 0.00 178.83 180.51 2j4n h SER 8 N 0.79 0.00 0.35 0.06 0.87 -1.60 -1.25 113.55 112.77 2j4n h SER 8 Ca 0.37 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.61 2j4n h SER 8 Cb 0.40 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.31 2j4n h SER 8 CO -0.14 0.01 -1.86 0.00 -0.53 0.00 0.00 176.83 174.30 2j4n n GLN 9 N -3.35 0.67 0.00 2.24 6.02 0.15 -4.99 117.38 118.11 2j4n n GLN 9 Ca -0.03 0.26 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 2j4n n GLN 9 Cb 0.10 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 29.61 2j4n n GLN 9 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2j4n n GLY 10 N 1.70 0.87 3.67 1.08 0.00 -0.35 -5.12 105.19 107.04 2j4n n GLY 10 Ca -0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 2j4n n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2j4n s TYR 11 N 0.00 2.39 1.00 1.61 -0.00 -1.06 -4.89 117.35 116.39 2j4n s TYR 11 Ca 0.00 -0.71 -0.17 0.00 -0.00 0.00 0.00 57.07 56.19 2j4n s TYR 11 Cb 0.00 -1.78 0.23 0.00 -0.00 0.00 0.00 41.96 40.40 2j4n s TYR 11 CO 0.00 0.34 1.36 -0.80 -0.00 0.00 0.00 175.55 176.45 2j4n s ASN 12 N -3.79 2.79 0.60 -0.18 0.01 -1.26 0.84 114.94 113.96 2j4n s ASN 12 Ca 0.30 0.14 0.01 0.00 -0.71 0.00 0.00 52.86 52.61 2j4n s ASN 12 Cb 0.07 -0.08 0.06 0.00 0.41 0.00 0.00 41.25 41.71 2j4n s ASN 12 CO 0.16 -2.93 0.84 0.00 -1.51 0.00 0.00 177.10 173.67 2j4n n ASN 15 N 4.87 2.50 -1.46 0.00 5.15 -1.26 -3.39 115.26 121.68 2j4n n ASN 15 Ca -0.14 -0.15 0.00 0.00 -0.60 0.00 0.00 54.58 53.69 2j4n n ASN 15 Cb 0.52 -1.51 0.00 0.00 -0.53 0.00 0.00 39.78 38.26 2j4n n ASN 15 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2j4n n ASN 16 N 13.65 -1.94 0.25 1.20 0.23 -1.26 -4.84 115.26 122.54 2j4n n ASN 16 Ca 0.37 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.54 2j4n n ASN 16 Cb 0.45 -0.97 0.59 0.00 -2.08 0.00 0.00 39.78 37.78 2j4n n ASN 16 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 2j4n h PRO 17 N 0.00 0.00 0.00 -0.53 0.13 -1.80 -2.37 132.00 127.43 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 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2j4n h PRO 17 CO 0.00 0.15 0.00 0.43 -0.23 0.00 0.00 178.00 178.35 2j4n n SER 18 N -3.36 0.33 0.00 1.44 7.64 -1.26 -2.60 113.62 115.80 2j4n n SER 18 Ca -0.00 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.51 2j4n n SER 18 Cb 0.35 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 2j4n n SER 18 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2j4n n SER 19 N -1.92 3.51 -4.37 6.43 3.41 -1.09 -5.03 113.62 114.55 2j4n n SER 19 Ca 0.00 0.00 -0.52 0.00 -0.26 0.00 0.00 58.87 58.09 2j4n n SER 19 Cb 0.06 0.64 -0.11 0.00 -0.26 0.00 0.00 64.21 64.54 2j4n n SER 19 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2j4n n THR 20 N -1.14 0.05 -1.75 6.66 -1.04 -0.91 -4.79 114.28 111.35 2j4n n THR 20 Ca 0.00 -0.12 -0.43 0.00 -2.04 0.00 0.00 64.05 61.46 2j4n n THR 20 Cb 0.06 -0.95 -0.03 0.00 -1.82 0.00 0.00 70.33 67.59 2j4n n THR 20 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2j4n s LYS 21 N 6.81 3.19 -0.74 -2.82 2.36 -1.26 -4.83 119.74 122.44 2j4n s LYS 21 Ca 1.19 1.79 -0.21 0.00 -2.55 0.00 0.00 55.97 56.19 2j4n s LYS 21 Cb -1.19 -4.31 0.09 0.00 -1.05 0.00 0.00 37.83 31.36 2j4n s LYS 21 CO 0.55 -2.03 1.01 0.08 1.55 0.00 0.00 175.35 176.51 2j4n s VAL 22 N 7.84 4.45 -1.40 4.02 1.01 -1.26 -2.39 120.40 132.67 2j4n s VAL 22 Ca 0.93 -0.74 0.25 0.00 0.00 0.00 0.00 61.98 62.42 2j4n s VAL 22 Cb -0.29 -4.71 0.09 0.00 0.00 0.00 0.00 36.38 31.47 2j4n s VAL 22 CO 0.34 -1.47 1.39 -1.84 0.00 0.00 0.00 175.10 173.53 2j4n n GLU 23 N 7.35 0.45 -4.08 2.72 0.28 -1.04 -4.90 120.64 121.42 2j4n n GLU 23 Ca 0.04 -0.29 -0.11 0.00 -0.16 0.00 0.00 57.16 56.64 2j4n n GLU 23 Cb 0.46 -1.49 -0.11 0.00 1.43 0.00 0.00 31.44 31.73 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 -2.75 0.63 -0.22 -1.84 5.04 -0.76 -5.05 117.35 112.39 2j4n s TYR 24 Ca 0.17 -0.67 -0.27 0.00 -2.44 0.00 0.00 57.07 53.86 2j4n s TYR 24 Cb 0.18 -0.39 0.11 0.00 0.35 0.00 0.00 41.96 42.21 2j4n s TYR 24 CO 0.63 -0.15 0.93 0.99 -1.34 0.00 0.00 175.55 176.61 2j4n s THR 25 N -2.21 0.00 0.00 4.34 2.01 -1.26 -1.11 115.64 117.41 2j4n s THR 25 Ca -0.04 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.96 2j4n s THR 25 Cb -0.04 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.47 2j4n s THR 25 CO -0.02 0.00 0.00 -0.67 -0.69 0.00 0.00 174.62 173.24 2j4n n ASP 26 N 1.75 0.00 -0.16 3.53 2.03 -0.90 -5.01 116.55 117.80 2j4n n ASP 26 Ca -0.13 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.31 2j4n n ASP 26 Cb 0.56 0.00 0.70 0.00 -0.72 0.00 0.00 41.12 41.66 2j4n n ASP 26 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2j4n n ALA 27 N -3.00 2.63 0.45 -1.67 0.00 -1.26 -3.09 120.51 114.56 2j4n n ALA 27 Ca 0.00 -0.26 0.09 0.00 0.00 0.00 0.00 53.44 53.27 2j4n n ALA 27 Cb 0.00 -1.34 0.12 0.00 0.00 0.00 0.00 19.45 18.23 2j4n n ALA 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2j4n n SER 28 N -0.57 2.78 0.00 0.00 7.64 -1.26 -5.09 113.62 117.13 2j4n n SER 28 Ca 0.19 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 58.25 2j4n n SER 28 Cb 0.17 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 2j4n n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2j4n n GLY 29 N 1.04 -0.52 3.89 0.23 0.00 -1.18 -4.92 105.19 103.74 2j4n n GLY 29 Ca 0.13 -2.19 -0.34 0.00 0.00 0.00 0.00 46.02 43.62 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 0.00 3.51 -0.03 1.61 -0.21 -1.26 -2.12 119.66 121.16 2j4n s GLN 30 Ca 0.00 -0.19 0.03 0.00 0.02 0.00 0.00 55.36 55.22 2j4n s GLN 30 Cb 0.00 -3.08 -0.00 0.00 1.00 0.00 0.00 33.01 30.93 2j4n s GLN 30 CO 0.00 0.66 -0.12 -1.58 -2.12 0.00 0.00 175.29 172.13 2j4n s TRP 31 N -1.31 1.23 0.19 0.91 0.52 -0.27 -0.80 118.94 119.42 2j4n s TRP 31 Ca 0.27 -0.31 -0.03 0.00 0.02 0.00 0.00 56.10 56.05 2j4n s TRP 31 Cb -0.13 -0.84 -0.03 0.00 -1.15 0.00 0.00 33.47 31.32 2j4n s TRP 31 CO 0.17 -0.11 0.18 0.20 0.02 0.00 0.00 176.95 177.42 2j4n s GLY 32 N 0.05 1.16 -0.44 0.98 0.00 -0.83 -1.84 107.32 106.41 2j4n s GLY 32 Ca -0.02 -1.48 -0.07 0.00 0.00 0.00 0.00 44.72 43.15 2j4n s GLY 32 CO 0.01 -1.23 0.28 0.14 0.00 0.00 0.00 173.10 172.29 2j4n s VAL 33 N -4.11 3.86 -0.15 1.40 1.01 -1.01 -1.64 120.40 119.77 2j4n s VAL 33 Ca 0.33 -1.82 0.01 0.00 0.00 0.00 0.00 61.98 60.50 2j4n s VAL 33 Cb 0.06 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.90 2j4n s VAL 33 CO 0.09 -0.70 -0.19 -1.58 0.00 0.00 0.00 175.10 172.72 2j4n s GLN 34 N 1.29 3.09 -1.13 2.72 0.74 -0.30 -4.62 119.66 121.45 2j4n s GLN 34 Ca 0.06 -0.81 -0.06 0.00 0.05 0.00 0.00 55.36 54.60 2j4n s GLN 34 Cb -0.24 -2.52 0.01 0.00 1.10 0.00 0.00 33.01 31.35 2j4n s GLN 34 CO -0.02 -0.02 0.80 0.09 -0.55 0.00 0.00 175.29 175.59 2j4n n ASN 35 N 4.12 -5.40 -2.13 6.67 3.02 -1.26 -1.87 115.26 118.41 2j4n n ASN 35 Ca -0.20 -0.37 -0.20 0.00 -0.03 0.00 0.00 54.58 53.78 2j4n n ASN 35 Cb 0.51 -4.08 -0.03 0.00 -0.61 0.00 0.00 39.78 35.58 2j4n n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2j4n n GLY 36 N -1.60 0.10 3.10 7.41 0.00 -1.26 -4.98 105.19 107.96 2j4n n GLY 36 Ca -0.02 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.71 1.26 -0.60 1.61 -0.21 -0.78 -5.10 119.66 111.14 2j4n s GLN 37 Ca 0.00 -0.50 -0.22 0.00 0.02 0.00 0.00 55.36 54.66 2j4n s GLN 37 Cb 0.00 -1.18 0.06 0.00 1.00 0.00 0.00 33.01 32.89 2j4n s GLN 37 CO 0.00 0.26 0.89 -0.46 -2.12 0.00 0.00 175.29 173.86 2j4n s TRP 38 N -0.17 2.79 0.01 0.91 -0.00 -1.26 -1.15 118.94 120.07 2j4n s TRP 38 Ca 0.02 -0.41 0.03 0.00 -0.00 0.00 0.00 56.10 55.75 2j4n s TRP 38 Cb -0.07 -4.09 -0.01 0.00 -0.00 0.00 0.00 33.47 29.30 2j4n s TRP 38 CO 0.00 -1.44 -0.11 0.00 -0.00 0.00 0.00 176.95 175.41 2j4n s GLY 40 N -0.52 1.66 -0.68 0.00 0.00 -1.25 -1.97 107.32 104.57 2j4n s GLY 40 Ca 0.02 0.19 -0.21 0.00 0.00 0.00 0.00 44.72 44.73 2j4n s GLY 40 CO 0.00 0.58 0.91 -0.42 0.00 0.00 0.00 173.10 174.16 2j4n s ILE 41 N -2.91 4.54 -0.29 0.90 -1.09 0.02 -1.68 121.20 120.70 2j4n s ILE 41 Ca 0.62 -0.75 0.03 0.00 -2.23 0.00 0.00 60.65 58.32 2j4n s ILE 41 Cb -0.17 -4.64 0.08 0.00 -1.58 0.00 0.00 42.46 36.14 2j4n s ILE 41 CO 0.56 -1.36 -0.05 -1.81 -1.23 0.00 0.00 174.94 171.05 2j4n s ASP 42 N 3.64 4.56 0.00 3.58 1.11 -1.26 -4.71 116.67 123.59 2j4n s ASP 42 Ca 0.20 -1.68 0.07 0.00 0.18 0.00 0.00 52.55 51.32 2j4n s ASP 42 Cb -0.17 -1.57 0.24 0.00 1.07 0.00 0.00 42.92 42.49 2j4n s ASP 42 CO 0.06 -0.26 1.19 -1.22 1.18 0.00 0.00 175.17 176.11 2j4n n TYR 43 N 4.37 0.24 -2.70 4.23 4.02 -1.26 -4.09 117.16 121.98 2j4n n TYR 43 Ca -0.07 -0.12 -0.07 0.00 -0.01 0.00 0.00 57.90 57.63 2j4n n TYR 43 Cb 0.42 0.00 0.12 0.00 -0.02 0.00 0.00 39.34 39.86 2j4n n TYR 43 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2j4n n SER 44 N 0.04 -1.86 -0.04 7.72 7.64 -1.26 -4.93 113.62 120.92 2j4n n SER 44 Ca 0.07 -2.42 0.11 0.00 1.01 0.00 0.00 58.87 57.64 2j4n n SER 44 Cb 0.17 0.99 0.63 0.00 -1.01 0.00 0.00 64.21 64.99 2j4n n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2j4n n TYR 45 N -0.67 0.01 -0.26 1.43 -0.00 -1.26 -4.80 117.16 111.60 2j4n n TYR 45 Ca -0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 57.90 57.85 2j4n n TYR 45 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.19 2j4n n TYR 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2j4n n GLY 46 N 0.86 0.90 3.93 -7.48 0.00 -1.26 0.19 105.19 102.33 2j4n n GLY 46 Ca 0.16 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.18 3.08 1.16 1.61 -0.21 -1.26 -2.41 119.66 119.46 2j4n s GLN 47 Ca 0.00 -1.02 -0.14 0.00 0.02 0.00 0.00 55.36 54.22 2j4n s GLN 47 Cb 0.00 -2.72 0.25 0.00 1.00 0.00 0.00 33.01 31.54 2j4n s GLN 47 CO 0.00 0.21 0.81 -1.71 -2.12 0.00 0.00 175.29 172.48 2j4n n ASN 48 N -1.45 -1.85 -1.39 5.90 5.15 -1.26 -4.72 115.26 115.64 2j4n n ASN 48 Ca -0.04 -0.14 -0.03 0.00 -0.60 0.00 0.00 54.58 53.77 2j4n n ASN 48 Cb 0.58 -1.20 0.17 0.00 -0.53 0.00 0.00 39.78 38.79 2j4n n ASN 48 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2j4n n GLN 49 N -4.36 2.50 0.00 1.20 0.00 -1.26 -4.35 117.38 111.12 2j4n n GLN 49 Ca 0.03 -1.61 0.06 0.00 0.00 0.00 0.00 57.00 55.47 2j4n n GLN 49 Cb 0.55 -1.79 0.32 0.00 0.00 0.00 0.00 30.24 29.33 2j4n n GLN 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2j4n n GLY 50 N 0.06 -0.66 1.18 2.61 0.00 -1.26 -4.51 105.19 102.61 2j4n n GLY 50 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2j4n n GLY 50 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2j4n n ASN 51 N -1.25 -1.68 0.00 1.61 4.05 -1.26 -5.01 115.26 111.72 2j4n n ASN 51 Ca 0.06 0.00 -0.05 0.00 0.45 0.00 0.00 54.58 55.05 2j4n n ASN 51 Cb 0.09 -0.42 -0.11 0.00 1.23 0.00 0.00 39.78 40.57 2j4n n ASN 51 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2j4n n GLU 52 N -1.18 0.63 -3.75 1.20 -0.58 -1.26 -5.00 120.64 110.70 2j4n n GLU 52 Ca 0.00 0.27 -0.09 0.00 -0.42 0.00 0.00 57.16 56.91 2j4n n GLU 52 Cb 0.42 -1.80 -0.03 0.00 -0.57 0.00 0.00 31.44 29.45 2j4n n GLU 52 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2j4n s SER 53 N -5.95 -0.28 0.24 1.62 0.15 -1.26 -4.89 113.70 103.34 2j4n s SER 53 Ca -0.04 -0.49 0.04 0.00 0.70 0.00 0.00 55.95 56.16 2j4n s SER 53 Cb 0.08 0.61 -0.05 0.00 -1.71 0.00 0.00 66.02 64.95 2j4n s SER 53 CO 0.82 -1.11 -0.01 0.00 1.20 0.00 0.00 173.24 174.15 2j4n s THR 55 N -3.38 4.36 -0.05 0.00 2.01 0.21 -4.23 115.64 114.56 2j4n s THR 55 Ca 0.29 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.08 2j4n s THR 55 Cb 0.06 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.93 2j4n s THR 55 CO 0.09 -0.53 0.00 0.61 -0.69 0.00 0.00 174.62 174.10 2j4n n GLY 56 N -2.18 0.47 0.00 4.40 0.00 -1.26 -2.77 105.19 103.85 2j4n n GLY 56 Ca 0.01 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 0.30 0.00 -0.63 1.61 2.04 -1.26 -2.41 115.26 114.92 2j4n n ASN 57 Ca -0.00 -1.32 0.12 0.00 -0.44 0.00 0.00 54.58 52.94 2j4n n ASN 57 Cb 0.05 0.00 0.17 0.00 -2.53 0.00 0.00 39.78 37.47 2j4n n ASN 57 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2j4n n GLY 58 N 0.76 0.29 2.09 4.83 0.00 -1.26 -4.86 105.19 107.04 2j4n n GLY 58 Ca 0.15 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2j4n n GLY 58 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2j4n n SER 59 N 0.41 -1.76 -3.88 1.61 7.64 -1.18 -5.16 113.62 111.31 2j4n n SER 59 Ca 0.13 0.38 -0.18 0.00 1.01 0.00 0.00 58.87 60.20 2j4n n SER 59 Cb 0.48 1.92 0.10 0.00 -1.01 0.00 0.00 64.21 65.71 2j4n n SER 59 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2j4n n TYR 60 N -2.89 -3.18 -2.47 1.43 4.02 -1.01 -5.11 117.16 107.94 2j4n n TYR 60 Ca 0.00 -1.28 -0.24 0.00 -0.01 0.00 0.00 57.90 56.37 2j4n n TYR 60 Cb 0.00 -0.59 0.08 0.00 -0.02 0.00 0.00 39.34 38.80 2j4n n TYR 60 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2j4n s PRO 61 N -4.58 2.07 0.77 -0.72 0.04 -1.26 -4.12 135.00 127.20 2j4n s PRO 61 Ca 0.52 -0.74 -0.11 0.00 0.04 0.00 0.00 61.00 60.71 2j4n s PRO 61 Cb -0.03 -2.32 0.05 0.00 0.04 0.00 0.00 34.50 32.25 2j4n s PRO 61 CO 0.35 -1.18 1.08 0.00 0.04 0.00 0.00 177.00 177.29 2j4n n ASN 64 N -2.40 0.00 -4.90 0.00 5.15 -1.26 -4.98 115.26 106.87 2j4n n ASN 64 Ca 0.00 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.66 2j4n n ASN 64 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 2j4n n ASN 64 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2j4n s THR 65 N -2.12 5.31 -0.36 -0.44 -1.32 -1.26 -4.99 115.64 110.45 2j4n s THR 65 Ca 0.00 -0.09 0.05 0.00 -1.21 0.00 0.00 61.69 60.44 2j4n s THR 65 Cb 0.00 -3.60 0.55 0.00 -1.51 0.00 0.00 72.50 67.94 2j4n s THR 65 CO 0.00 0.20 1.67 0.00 -2.21 0.00 0.00 174.62 174.28 2j4n s GLN 67 N -2.55 2.76 -0.84 0.00 -0.44 -1.26 -4.97 119.66 112.35 2j4n s GLN 67 Ca 0.44 -2.40 -0.22 0.00 -2.50 0.00 0.00 55.36 50.69 2j4n s GLN 67 Cb 0.37 -3.90 0.09 0.00 -1.64 0.00 0.00 33.01 27.92 2j4n s GLN 67 CO 0.09 -1.20 1.14 0.00 0.50 0.00 0.00 175.29 175.83 2j4n s ALA 68 N 0.20 3.11 0.09 1.58 0.00 -1.26 -4.45 121.76 121.03 2j4n s ALA 68 Ca 0.15 -2.23 0.29 0.00 0.00 0.00 0.00 51.96 50.17 2j4n s ALA 68 Cb -0.19 -4.09 1.12 0.00 0.00 0.00 0.00 23.12 19.96 2j4n s ALA 68 CO -0.04 -3.05 1.90 0.00 0.00 0.00 0.00 175.76 174.56 2j4n h THR 69 N 6.07 0.24 -2.38 0.00 1.03 -1.50 -3.45 112.91 112.92 2j4n h THR 69 Ca -0.03 -0.80 -0.08 0.00 -0.01 0.00 0.00 66.41 65.49 2j4n h THR 69 Cb 1.04 1.65 -0.22 0.00 -1.07 0.00 0.00 68.15 69.54 2j4n h THR 69 CO 1.21 0.09 -0.06 -0.72 -0.01 0.00 0.00 175.52 176.04 2j4n s TYR 70 N -3.64 -0.62 -0.05 0.00 -0.85 -0.95 -5.02 117.35 106.22 2j4n s TYR 70 Ca 0.01 1.50 0.05 0.00 -0.52 0.00 0.00 57.07 58.12 2j4n s TYR 70 Cb 0.09 0.21 -0.01 0.00 0.38 0.00 0.00 41.96 42.64 2j4n s TYR 70 CO 0.59 -0.30 -0.22 0.99 -1.52 0.00 0.00 175.55 175.09 2j4n s THR 71 N 0.28 1.84 0.00 -3.49 2.01 -1.26 0.20 115.64 115.21 2j4n s THR 71 Ca -0.00 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.05 2j4n s THR 71 Cb -0.04 -1.56 0.00 0.00 0.01 0.00 0.00 72.50 70.91 2j4n s THR 71 CO 0.01 0.52 0.00 -0.67 -0.69 0.00 0.00 174.62 173.78 2j4n n ASP 72 N 3.02 1.92 0.00 3.53 4.64 0.51 -4.95 116.55 125.22 2j4n n ASP 72 Ca -0.18 -0.66 0.07 0.00 -1.38 0.00 0.00 54.79 52.65 2j4n n ASP 72 Cb 0.52 0.00 0.42 0.00 -1.04 0.00 0.00 41.12 41.03 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 4.79 -0.50 0.26 0.27 0.00 -1.26 -1.98 105.19 106.76 2j4n n GLY 73 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.04 2.43 0.00 1.61 8.00 -1.26 -5.10 116.55 121.18 2j4n n ASP 74 Ca 0.10 -2.14 0.00 0.00 0.71 0.00 0.00 54.79 53.46 2j4n n ASP 74 Cb 0.06 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 2j4n n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j4n n GLY 75 N -0.25 -0.34 3.75 0.44 0.00 -0.84 -4.77 105.19 103.19 2j4n n GLY 75 Ca 0.06 -2.25 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 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 -3.14 3.36 0.12 1.61 1.11 -1.26 -0.36 116.67 118.11 2j4n s ASP 76 Ca 0.00 1.10 -0.15 0.00 0.18 0.00 0.00 52.55 53.69 2j4n s ASP 76 Cb 0.00 -1.73 0.03 0.00 1.07 0.00 0.00 42.92 42.29 2j4n s ASP 76 CO 0.00 -2.66 0.36 0.26 1.18 0.00 0.00 175.17 174.31 2j4n s TRP 77 N -3.15 -0.13 0.06 4.23 0.52 0.52 -2.82 118.94 118.18 2j4n s TRP 77 Ca 0.64 -0.21 -0.18 0.00 0.02 0.00 0.00 56.10 56.37 2j4n s TRP 77 Cb -0.16 0.19 0.04 0.00 -1.15 0.00 0.00 33.47 32.39 2j4n s TRP 77 CO 0.55 -0.67 0.42 0.00 0.02 0.00 0.00 176.95 177.26 2j4n s ALA 78 N -3.82 -1.01 -0.42 0.98 0.00 -0.83 -1.11 121.76 115.56 2j4n s ALA 78 Ca 0.04 0.24 -0.13 0.00 0.00 0.00 0.00 51.96 52.10 2j4n s ALA 78 Cb 0.02 0.43 0.05 0.00 0.00 0.00 0.00 23.12 23.62 2j4n s ALA 78 CO -0.12 -0.50 0.29 0.12 0.00 0.00 0.00 175.76 175.55 2j4n s PHE 79 N -2.79 3.26 0.03 0.00 5.99 -1.26 -2.35 117.98 120.85 2j4n s PHE 79 Ca -0.03 -0.94 0.01 0.00 0.00 0.00 0.00 56.93 55.96 2j4n s PHE 79 Cb -0.00 -2.74 -0.02 0.00 0.00 0.00 0.00 43.02 40.26 2j4n s PHE 79 CO -0.05 -0.70 -0.05 -2.00 -0.00 0.00 0.00 175.22 172.43 2j4n s GLU 80 N 1.59 0.37 -1.49 10.12 2.56 -0.93 -4.82 118.70 126.10 2j4n s GLU 80 Ca 0.03 -0.63 -0.00 0.00 0.00 0.00 0.00 54.97 54.37 2j4n s GLU 80 Cb -0.21 -0.04 0.00 0.00 2.00 0.00 0.00 34.13 35.88 2j4n s GLU 80 CO 0.07 -0.01 0.01 0.09 -0.56 0.00 0.00 175.26 174.86 2j4n n ASN 81 N 1.63 -5.12 -2.59 -1.70 5.03 -1.26 -1.04 115.26 110.21 2j4n n ASN 81 Ca -0.23 0.06 -0.21 0.00 0.87 0.00 0.00 54.58 55.08 2j4n n ASN 81 Cb 0.55 -4.28 0.02 0.00 -1.02 0.00 0.00 39.78 35.04 2j4n n ASN 81 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2j4n n GLY 82 N -0.94 -0.45 3.13 7.41 0.00 -1.26 -4.99 105.19 108.10 2j4n n GLY 82 Ca -0.21 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.46 0.09 -0.85 1.61 2.20 -0.21 -5.10 114.94 110.22 2j4n s ASN 83 Ca 0.16 -0.38 -0.22 0.00 -0.94 0.00 0.00 52.86 51.48 2j4n s ASN 83 Cb -0.07 0.24 0.08 0.00 -2.00 0.00 0.00 41.25 39.50 2j4n s ASN 83 CO 0.20 -0.48 1.18 0.26 -2.94 0.00 0.00 177.10 175.32 2j4n s TRP 84 N -2.21 2.74 0.38 1.54 0.23 -1.26 -2.19 118.94 118.17 2j4n s TRP 84 Ca -0.08 -0.85 0.08 0.00 -2.03 0.00 0.00 56.10 53.22 2j4n s TRP 84 Cb -0.03 -4.43 -0.02 0.00 0.03 0.00 0.00 33.47 29.01 2j4n s TRP 84 CO -0.02 -1.72 0.34 0.00 0.96 0.00 0.00 176.95 176.50 2j4n s GLY 86 N -4.07 1.60 0.39 0.00 0.00 -1.12 -1.97 107.32 102.16 2j4n s GLY 86 Ca 0.45 -1.46 -0.20 0.00 0.00 0.00 0.00 44.72 43.51 2j4n s GLY 86 CO 0.27 -1.38 0.89 -0.42 0.00 0.00 0.00 173.10 172.46 2j4n s ILE 87 N -2.18 4.45 0.28 0.90 -1.09 -1.13 -2.73 121.20 119.70 2j4n s ILE 87 Ca 0.44 1.37 -0.28 0.00 -2.23 0.00 0.00 60.65 59.95 2j4n s ILE 87 Cb -0.09 -3.63 -0.09 0.00 -1.58 0.00 0.00 42.46 37.07 2j4n s ILE 87 CO 0.31 -0.25 0.95 -0.54 -1.23 0.00 0.00 174.94 174.17 2j4n s LYS 88 N -3.05 4.74 0.17 2.79 -0.14 -1.26 0.65 119.74 123.63 2j4n s LYS 88 Ca 0.59 1.44 0.13 0.00 -1.36 0.00 0.00 55.97 56.77 2j4n s LYS 88 Cb -0.10 -3.08 0.67 0.00 -1.68 0.00 0.00 37.83 33.64 2j4n s LYS 88 CO 0.15 0.41 1.40 0.27 -0.76 0.00 0.00 175.35 176.82 2j4n n ASN 89 N 1.10 0.32 0.02 2.83 2.04 -0.86 -1.56 115.26 119.15 2j4n n ASN 89 Ca -0.00 0.63 -0.21 0.00 -0.44 0.00 0.00 54.58 54.56 2j4n n ASN 89 Cb 0.48 -0.68 -0.14 0.00 -2.53 0.00 0.00 39.78 36.91 2j4n n ASN 89 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 2j4n h SER 90 N 0.00 0.46 0.00 0.53 0.02 -1.79 -3.40 113.55 109.37 2j4n h SER 90 Ca 0.00 -0.91 -0.43 0.00 -0.84 0.00 0.00 61.79 59.60 2j4n h SER 90 Cb 0.06 -0.15 0.02 0.00 0.14 0.00 0.00 62.40 62.47 2j4n h SER 90 CO 0.00 1.81 2.78 0.00 -1.14 0.00 0.00 176.83 180.28 2j4n n LYS 92 N 4.27 0.00 -3.67 0.00 2.85 -1.26 -4.79 118.16 115.55 2j4n n LYS 92 Ca 0.50 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.67 2j4n n LYS 92 Cb 0.16 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.44 2j4n n LYS 92 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 2j4n s GLN 93 N -1.16 0.40 0.08 -1.58 -1.52 -1.24 -5.06 119.66 109.57 2j4n s GLN 93 Ca 0.00 0.96 -0.29 0.00 -1.95 0.00 0.00 55.36 54.07 2j4n s GLN 93 Cb 0.00 0.17 -0.18 0.00 -0.22 0.00 0.00 33.01 32.78 2j4n s GLN 93 CO 0.00 -0.20 1.66 1.96 -0.25 0.00 0.00 175.29 178.47 2j4n h GLN 94 N 7.55 -0.57 -3.55 2.91 7.50 -1.96 -3.25 115.11 123.74 2j4n h GLN 94 Ca -0.27 0.04 -0.25 0.00 0.50 0.00 0.00 58.65 58.67 2j4n h GLN 94 Cb 1.16 0.13 0.01 0.00 0.05 0.00 0.00 27.48 28.82 2j4n h GLN 94 CO 0.21 -0.38 1.99 -0.35 -1.50 0.00 0.00 178.83 178.80 2j4n n PRO 95 N -5.34 1.39 -2.57 1.46 -0.04 -1.26 -4.55 135.00 124.09 2j4n n PRO 95 Ca -0.11 -1.11 -0.31 0.00 -0.04 0.00 0.00 63.50 61.93 2j4n n PRO 95 Cb 0.25 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.42 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 3.81 3.80 -0.65 0.54 -1.52 -1.23 -4.47 119.66 119.94 2j4n s GLN 96 Ca 0.27 0.65 -0.00 0.00 -1.95 0.00 0.00 55.36 54.33 2j4n s GLN 96 Cb 0.07 -2.26 -0.01 0.00 -0.22 0.00 0.00 33.01 30.59 2j4n s GLN 96 CO -0.02 -0.19 0.61 -1.71 -0.25 0.00 0.00 175.29 173.72 2j4n n ASN 97 N -1.63 -6.82 -4.97 5.90 5.15 -1.26 -4.84 115.26 106.78 2j4n n ASN 97 Ca 0.04 -0.11 -0.20 0.00 -0.60 0.00 0.00 54.58 53.72 2j4n n ASN 97 Cb 0.54 -4.63 -0.01 0.00 -0.53 0.00 0.00 39.78 35.15 2j4n n ASN 97 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2j4n s ASN 98 N -2.89 5.99 -1.10 1.20 2.20 -1.26 -4.95 114.94 114.13 2j4n s ASN 98 Ca 0.03 -0.16 -0.22 0.00 -0.94 0.00 0.00 52.86 51.58 2j4n s ASN 98 Cb -0.00 -1.35 -0.00 0.00 -2.00 0.00 0.00 41.25 37.89 2j4n s ASN 98 CO 0.63 -0.34 1.76 0.21 -2.94 0.00 0.00 177.10 176.43 2j4n s ASN 99 N -4.11 5.89 0.00 3.54 3.04 -1.26 -5.01 114.94 117.03 2j4n s ASN 99 Ca 0.42 -1.56 0.00 0.00 0.04 0.00 0.00 52.86 51.76 2j4n s ASN 99 Cb -0.09 -2.57 0.00 0.00 -1.54 0.00 0.00 41.25 37.04 2j4n s ASN 99 CO 0.30 -2.12 0.00 0.00 -3.04 0.00 0.00 177.10 172.24