#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 0.30 -0.06 0.00 1.75 -1.18 -5.02 119.30 115.09 2j4m s MET 2 Ca 0.00 0.15 0.05 0.00 -1.25 0.00 0.00 55.69 54.64 2j4m s MET 2 Cb 0.00 0.10 0.12 0.00 2.84 0.00 0.00 34.83 37.89 2j4m s MET 2 CO 0.00 -0.52 1.10 0.00 -0.65 0.00 0.00 175.02 174.95 2j4m n ALA 3 N 4.83 3.47 -2.45 4.11 0.00 0.80 -4.84 120.51 126.44 2j4m n ALA 3 Ca 0.08 -0.96 -0.42 0.00 0.00 0.00 0.00 53.44 52.14 2j4m n ALA 3 Cb 0.58 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 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 7.58 0.00 -0.19 0.00 5.08 -1.95 -0.83 115.95 125.64 2j4m h TRP 5 Ca -0.33 0.00 0.02 0.00 1.08 0.00 0.00 58.89 59.66 2j4m h TRP 5 Cb 1.15 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.29 2j4m h TRP 5 CO 0.74 0.00 0.07 0.00 -1.28 0.00 0.00 178.44 177.97 2j4m h ALA 6 N 1.44 0.21 -0.04 0.11 0.00 -1.83 -1.29 119.26 117.86 2j4m h ALA 6 Ca 0.19 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2j4m h ALA 6 Cb 1.13 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2j4m h ALA 6 CO -0.00 -0.35 0.12 -0.56 0.00 0.00 0.00 179.25 178.45 2j4m h GLN 7 N 0.17 0.00 0.00 0.00 3.07 0.68 0.18 115.11 119.20 2j4m h GLN 7 Ca 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.82 2j4m h GLN 7 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.60 2j4m h GLN 7 CO -0.08 0.00 -0.00 0.77 0.09 0.00 0.00 178.83 179.61 2j4m h SER 8 N 0.00 0.00 0.00 0.06 0.02 -1.29 -2.69 113.55 109.65 2j4m h SER 8 Ca 0.02 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.76 2j4m h SER 8 Cb 0.26 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 2j4m h SER 8 CO -0.00 0.00 -1.78 0.00 -1.14 0.00 0.00 176.83 173.91 2j4m n GLN 9 N -3.15 1.93 0.00 3.45 6.02 0.56 -5.02 117.38 121.17 2j4m n GLN 9 Ca -0.02 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2j4m n GLN 9 Cb 0.11 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.08 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 2.37 0.61 3.77 1.08 0.00 -0.76 -5.14 105.19 107.12 2j4m n GLY 10 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 3.19 0.58 1.61 2.02 -0.99 -4.81 117.35 118.96 2j4m s TYR 11 Ca 0.00 1.57 -0.13 0.00 -0.37 0.00 0.00 57.07 58.14 2j4m s TYR 11 Cb 0.00 -3.40 -0.05 0.00 -0.40 0.00 0.00 41.96 38.11 2j4m s TYR 11 CO 0.00 -1.19 1.02 1.21 -1.57 0.00 0.00 175.55 175.02 2j4m s ASN 12 N -1.00 6.32 0.28 2.29 2.47 -1.24 -0.59 114.94 123.46 2j4m s ASN 12 Ca 0.53 1.49 -0.29 0.00 0.42 0.00 0.00 52.86 55.01 2j4m s ASN 12 Cb -0.32 -2.49 -0.10 0.00 -1.45 0.00 0.00 41.25 36.90 2j4m s ASN 12 CO 0.41 -0.80 1.20 0.00 -3.72 0.00 0.00 177.10 174.19 2j4m n ASN 15 N 6.08 -2.57 -4.01 0.00 5.15 -1.26 -2.12 115.26 116.53 2j4m n ASN 15 Ca 0.00 0.76 -0.34 0.00 -0.60 0.00 0.00 54.58 54.39 2j4m n ASN 15 Cb 0.44 -0.95 -0.01 0.00 -0.53 0.00 0.00 39.78 38.73 2j4m n ASN 15 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2j4m n ASN 16 N 1.94 -2.30 0.12 1.20 0.23 -1.26 -4.79 115.26 110.40 2j4m n ASN 16 Ca 0.10 -1.16 0.10 0.00 -0.53 0.00 0.00 54.58 53.09 2j4m n ASN 16 Cb 0.44 -2.41 0.47 0.00 -2.08 0.00 0.00 39.78 36.19 2j4m n ASN 16 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 2j4m n PRO 17 N -4.59 0.14 0.00 -0.53 -0.04 -0.90 -1.86 135.00 127.21 2j4m n PRO 17 Ca -0.21 0.50 0.10 0.00 -0.04 0.00 0.00 63.50 63.85 2j4m n PRO 17 Cb 0.63 -1.84 0.46 0.00 -0.04 0.00 0.00 33.50 32.71 2j4m n PRO 17 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2j4m n SER 18 N -2.11 0.00 -0.21 3.54 2.88 -1.26 -3.22 113.62 113.24 2j4m n SER 18 Ca 0.01 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 2j4m n SER 18 Cb 0.12 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 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 -1.40 0.00 -4.78 -3.46 2.88 -0.78 -4.87 113.62 101.21 2j4m n SER 19 Ca 0.07 -1.37 -0.35 0.00 -1.33 0.00 0.00 58.87 55.89 2j4m n SER 19 Cb 0.20 -0.07 -0.02 0.00 -0.75 0.00 0.00 64.21 63.56 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 3.46 -0.41 2.46 2.01 -1.04 -5.00 115.64 117.12 2j4m s THR 20 Ca 0.00 0.97 -0.22 0.00 0.31 0.00 0.00 61.69 62.75 2j4m s THR 20 Cb 0.00 -3.42 0.02 0.00 0.01 0.00 0.00 72.50 69.10 2j4m s THR 20 CO 0.00 -0.14 0.70 -0.75 -0.69 0.00 0.00 174.62 173.74 2j4m s LYS 21 N -3.06 3.47 -0.71 4.92 2.47 -1.26 -5.00 119.74 120.56 2j4m s LYS 21 Ca 0.67 -0.12 -0.20 0.00 -1.56 0.00 0.00 55.97 54.76 2j4m s LYS 21 Cb -0.22 -3.90 0.10 0.00 -1.46 0.00 0.00 37.83 32.36 2j4m s LYS 21 CO 0.26 -0.96 0.93 0.08 0.16 0.00 0.00 175.35 175.82 2j4m s VAL 22 N 2.96 4.60 -1.40 4.02 1.01 -1.26 -3.57 120.40 126.76 2j4m s VAL 22 Ca 0.26 -0.89 0.27 0.00 0.00 0.00 0.00 61.98 61.62 2j4m s VAL 22 Cb -0.13 -4.65 0.24 0.00 0.00 0.00 0.00 36.38 31.84 2j4m s VAL 22 CO 0.19 -1.37 1.65 -0.62 0.00 0.00 0.00 175.10 174.95 2j4m n GLU 23 N 6.94 0.44 -4.06 2.72 1.02 -0.82 -4.84 120.64 122.03 2j4m n GLU 23 Ca 0.02 -0.21 -0.13 0.00 -0.02 0.00 0.00 57.16 56.82 2j4m n GLU 23 Cb 0.45 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.25 2j4m n GLU 23 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2j4m s TYR 24 N -2.71 0.45 -0.27 -0.32 5.04 -0.55 -5.03 117.35 113.96 2j4m s TYR 24 Ca 0.20 -0.28 -0.04 0.00 -2.44 0.00 0.00 57.07 54.51 2j4m s TYR 24 Cb 0.19 -0.28 0.15 0.00 0.35 0.00 0.00 41.96 42.36 2j4m s TYR 24 CO 0.56 -0.06 0.54 0.99 -1.34 0.00 0.00 175.55 176.25 2j4m s THR 25 N -0.72 -0.87 0.00 4.34 2.01 -1.26 0.94 115.64 120.08 2j4m s THR 25 Ca -0.05 0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.96 2j4m s THR 25 Cb -0.06 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.54 2j4m s THR 25 CO -0.00 -0.02 0.00 -0.67 -0.69 0.00 0.00 174.62 173.24 2j4m n ASP 26 N 5.42 1.89 0.00 3.53 4.64 -0.84 -4.96 116.55 126.22 2j4m n ASP 26 Ca -0.05 -0.08 0.08 0.00 -1.38 0.00 0.00 54.79 53.36 2j4m n ASP 26 Cb 0.50 0.00 0.41 0.00 -1.04 0.00 0.00 41.12 40.99 2j4m n ASP 26 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2j4m n ALA 27 N -3.00 1.90 0.02 -1.67 0.00 -1.26 -2.19 120.51 114.31 2j4m n ALA 27 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 2j4m n ALA 27 Cb 0.00 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.09 2j4m n ALA 27 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2j4m h SER 28 N 0.00 0.00 0.00 0.00 4.64 -2.02 -3.50 113.55 112.66 2j4m h SER 28 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2j4m h SER 28 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2j4m h SER 28 CO 0.00 0.70 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 2j4m n GLY 29 N 1.43 0.29 3.28 -0.77 0.00 -0.93 -5.09 105.19 103.40 2j4m n GLY 29 Ca -0.11 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.70 2.53 0.11 1.61 1.11 -1.26 -1.98 119.66 121.09 2j4m s GLN 30 Ca 0.00 -0.90 0.06 0.00 0.01 0.00 0.00 55.36 54.53 2j4m s GLN 30 Cb 0.00 -2.17 -0.04 0.00 -1.01 0.00 0.00 33.01 29.80 2j4m s GLN 30 CO 0.00 0.40 -0.15 -1.58 0.01 0.00 0.00 175.29 173.97 2j4m s TRP 31 N -0.20 1.44 0.00 0.91 0.52 0.27 0.56 118.94 122.44 2j4m s TRP 31 Ca -0.02 -0.51 0.00 0.00 0.02 0.00 0.00 56.10 55.58 2j4m s TRP 31 Cb -0.13 -0.76 0.00 0.00 -1.15 0.00 0.00 33.47 31.42 2j4m s TRP 31 CO 0.03 0.15 0.00 0.41 0.02 0.00 0.00 176.95 177.56 2j4m n GLY 32 N 0.73 3.72 2.86 0.98 0.00 -0.51 -1.48 105.19 111.48 2j4m n GLY 32 Ca -0.17 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 2j4m n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j4m s VAL 33 N -1.98 -0.55 -0.20 1.61 1.01 -1.23 -2.76 120.40 116.29 2j4m s VAL 33 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 2j4m s VAL 33 Cb 0.00 -0.96 -0.00 0.00 0.00 0.00 0.00 36.38 35.42 2j4m s VAL 33 CO 0.00 -0.33 -0.10 -1.58 0.00 0.00 0.00 175.10 173.09 2j4m s GLN 34 N 2.48 3.25 -0.42 2.72 0.74 -1.07 -4.51 119.66 122.86 2j4m s GLN 34 Ca 0.10 -0.70 0.00 0.00 0.05 0.00 0.00 55.36 54.81 2j4m s GLN 34 Cb -0.13 -2.82 0.00 0.00 1.10 0.00 0.00 33.01 31.16 2j4m s GLN 34 CO -0.29 -0.15 0.00 0.27 -0.55 0.00 0.00 175.29 174.57 2j4m n ASN 35 N 4.58 -3.65 -0.46 6.67 0.23 -1.26 -3.44 115.26 117.93 2j4m n ASN 35 Ca -0.19 0.10 0.00 0.00 -0.53 0.00 0.00 54.58 53.96 2j4m n ASN 35 Cb 0.51 -1.50 0.00 0.00 -2.08 0.00 0.00 39.78 36.71 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 -2.28 0.96 3.18 4.83 0.00 -1.26 -5.08 105.19 105.54 2j4m n GLY 36 Ca -0.04 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.56 0.33 0.36 1.61 -0.21 -1.22 -5.14 119.66 110.82 2j4m s GLN 37 Ca 0.00 0.62 -0.26 0.00 0.02 0.00 0.00 55.36 55.74 2j4m s GLN 37 Cb 0.00 -0.01 -0.09 0.00 1.00 0.00 0.00 33.01 33.91 2j4m s GLN 37 CO 0.00 -0.14 1.08 -1.58 -2.12 0.00 0.00 175.29 172.54 2j4m s TRP 38 N 1.08 3.36 -0.04 0.91 0.52 -1.26 -2.59 118.94 120.91 2j4m s TRP 38 Ca -0.07 1.65 -0.29 0.00 0.02 0.00 0.00 56.10 57.41 2j4m s TRP 38 Cb -0.08 -3.22 0.09 0.00 -1.15 0.00 0.00 33.47 29.12 2j4m s TRP 38 CO -0.08 -0.69 0.80 0.00 0.02 0.00 0.00 176.95 177.00 2j4m s GLY 40 N -1.65 1.69 0.04 0.00 0.00 -1.26 -1.42 107.32 104.72 2j4m s GLY 40 Ca -0.03 -0.75 -0.33 0.00 0.00 0.00 0.00 44.72 43.61 2j4m s GLY 40 CO 0.00 1.65 1.81 1.39 0.00 0.00 0.00 173.10 177.96 2j4m n ILE 41 N 5.72 0.41 -3.68 0.90 -0.00 0.19 -4.64 119.36 118.27 2j4m n ILE 41 Ca 0.01 -0.07 -0.25 0.00 -0.00 0.00 0.00 62.75 62.44 2j4m n ILE 41 Cb 0.48 -1.91 -0.17 0.00 -0.00 0.00 0.00 39.64 38.05 2j4m n ILE 41 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2j4m s ASP 42 N 3.04 2.24 0.00 4.38 3.68 -1.26 -4.65 116.67 124.10 2j4m s ASP 42 Ca 0.86 -0.50 0.19 0.00 2.13 0.00 0.00 52.55 55.23 2j4m s ASP 42 Cb -0.61 -0.36 1.11 0.00 -1.45 0.00 0.00 42.92 41.62 2j4m s ASP 42 CO 0.44 -0.30 1.64 -1.22 0.13 0.00 0.00 175.17 175.86 2j4m n TYR 43 N 5.20 0.00 -2.67 -5.34 4.01 -1.26 -3.48 117.16 113.62 2j4m n TYR 43 Ca -0.07 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.59 2j4m n TYR 43 Cb 0.49 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.56 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 -0.83 1.08 -1.33 7.72 7.64 -1.26 -4.93 113.62 121.71 2j4m n SER 44 Ca 0.14 -2.66 -0.06 0.00 1.01 0.00 0.00 58.87 57.31 2j4m n SER 44 Cb 0.06 -0.36 0.04 0.00 -1.01 0.00 0.00 64.21 62.94 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 -0.14 0.71 -1.14 1.43 -0.00 -1.23 -4.79 117.16 112.01 2j4m n TYR 45 Ca 0.08 -0.89 0.00 0.00 -0.00 0.00 0.00 57.90 57.08 2j4m n TYR 45 Cb 0.82 -0.45 0.00 0.00 -0.00 0.00 0.00 39.34 39.71 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 0.22 -0.21 3.57 -7.48 0.00 -1.26 0.28 105.19 100.31 2j4m n GLY 46 Ca 0.14 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 2j4m n GLY 46 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2j4m s GLN 47 N -1.80 1.90 0.54 1.61 -0.21 -1.26 0.13 119.66 120.57 2j4m s GLN 47 Ca 0.00 -1.84 0.08 0.00 0.02 0.00 0.00 55.36 53.62 2j4m s GLN 47 Cb 0.00 -1.80 0.05 0.00 1.00 0.00 0.00 33.01 32.26 2j4m s GLN 47 CO 0.00 0.17 0.59 -0.80 -2.12 0.00 0.00 175.29 173.13 2j4m s ASN 48 N -3.63 4.95 -0.18 5.90 0.02 -1.26 -4.91 114.94 115.83 2j4m s ASN 48 Ca 0.33 -0.96 0.03 0.00 -1.02 0.00 0.00 52.86 51.24 2j4m s ASN 48 Cb 0.00 0.20 0.34 0.00 0.02 0.00 0.00 41.25 41.81 2j4m s ASN 48 CO 0.17 -1.15 1.31 0.00 0.02 0.00 0.00 177.10 177.45 2j4m n GLN 49 N -1.97 2.02 -1.05 -0.60 10.64 -1.25 -4.15 117.38 121.02 2j4m n GLN 49 Ca 0.07 -1.43 -0.17 0.00 -1.83 0.00 0.00 57.00 53.64 2j4m n GLN 49 Cb 0.62 -1.66 0.19 0.00 -0.86 0.00 0.00 30.24 28.53 2j4m n GLN 49 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2j4m n GLY 50 N -0.07 4.02 2.06 2.61 0.00 -1.26 -4.02 105.19 108.52 2j4m n GLY 50 Ca 0.23 -0.94 -0.06 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.75 -3.01 0.01 1.61 4.05 -1.26 -4.94 115.26 110.96 2j4m n ASN 51 Ca 0.49 -0.25 -0.03 0.00 0.45 0.00 0.00 54.58 55.23 2j4m n ASN 51 Cb 1.48 -2.28 -0.11 0.00 1.23 0.00 0.00 39.78 40.11 2j4m n ASN 51 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2j4m n GLU 52 N -2.17 0.62 -0.57 1.20 -0.58 -1.26 -4.96 120.64 112.93 2j4m n GLU 52 Ca -0.06 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 2j4m n GLU 52 Cb 0.55 -1.80 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 2j4m n GLU 52 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2j4m n SER 53 N -2.95 0.00 -4.22 1.62 3.41 -1.26 -4.78 113.62 105.43 2j4m n SER 53 Ca -0.13 -0.57 -0.14 0.00 -0.26 0.00 0.00 58.87 57.78 2j4m n SER 53 Cb 0.92 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.77 2j4m n SER 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2j4m s THR 55 N -3.16 4.44 -0.20 0.00 2.01 0.40 -4.18 115.64 114.95 2j4m s THR 55 Ca 0.14 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.98 2j4m s THR 55 Cb 0.02 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.85 2j4m s THR 55 CO -0.00 -0.58 0.00 0.61 -0.69 0.00 0.00 174.62 173.96 2j4m n GLY 56 N -2.19 0.54 0.00 4.40 0.00 -1.26 -2.58 105.19 104.10 2j4m n GLY 56 Ca 0.01 -0.43 0.10 0.00 0.00 0.00 0.00 46.02 45.69 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 0.57 0.00 -0.83 1.61 2.04 -1.25 -1.86 115.26 115.54 2j4m n ASN 57 Ca -0.02 -1.32 0.12 0.00 -0.44 0.00 0.00 54.58 52.92 2j4m n ASN 57 Cb 0.11 0.00 0.29 0.00 -2.53 0.00 0.00 39.78 37.65 2j4m n ASN 57 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2j4m n GLY 58 N 0.76 0.86 2.24 4.83 0.00 -1.26 -4.78 105.19 107.84 2j4m n GLY 58 Ca 0.15 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2j4m n GLY 58 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2j4m n SER 59 N 0.90 -4.30 -4.25 1.61 2.88 -1.17 -5.16 113.62 104.13 2j4m n SER 59 Ca 0.17 0.92 -0.17 0.00 -1.33 0.00 0.00 58.87 58.46 2j4m n SER 59 Cb 0.48 3.99 0.03 0.00 -0.75 0.00 0.00 64.21 67.96 2j4m n SER 59 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2j4m n TYR 60 N -3.46 -1.79 -2.41 0.66 4.02 -0.78 -5.14 117.16 108.26 2j4m n TYR 60 Ca 0.00 -1.71 -0.25 0.00 -0.01 0.00 0.00 57.90 55.93 2j4m n TYR 60 Cb 0.00 -0.40 0.10 0.00 -0.02 0.00 0.00 39.34 39.03 2j4m n TYR 60 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2j4m s PRO 61 N -3.93 1.73 0.90 -0.72 0.04 -1.26 -3.90 135.00 127.87 2j4m s PRO 61 Ca 0.38 -0.78 -0.13 0.00 0.04 0.00 0.00 61.00 60.51 2j4m s PRO 61 Cb -0.03 -2.24 0.14 0.00 0.04 0.00 0.00 34.50 32.40 2j4m s PRO 61 CO 0.24 -1.46 1.16 0.00 0.04 0.00 0.00 177.00 176.98 2j4m n ASN 64 N -2.71 0.00 -4.49 0.00 5.15 -1.26 -4.90 115.26 107.04 2j4m n ASN 64 Ca -0.25 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.40 2j4m n ASN 64 Cb 0.88 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 40.01 2j4m n ASN 64 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2j4m s THR 65 N -2.23 3.35 -2.10 -0.44 -1.32 -1.26 -4.99 115.64 106.66 2j4m s THR 65 Ca 0.00 -0.60 0.14 0.00 -1.21 0.00 0.00 61.69 60.02 2j4m s THR 65 Cb 0.00 -2.36 0.35 0.00 -1.51 0.00 0.00 72.50 68.98 2j4m s THR 65 CO 0.00 0.57 1.39 0.00 -2.21 0.00 0.00 174.62 174.38 2j4m s GLN 67 N -1.76 3.10 -0.06 0.00 -0.44 -1.26 -4.56 119.66 114.67 2j4m s GLN 67 Ca 0.24 -0.99 -0.22 0.00 -2.50 0.00 0.00 55.36 51.89 2j4m s GLN 67 Cb 0.12 -4.22 -0.04 0.00 -1.64 0.00 0.00 33.01 27.23 2j4m s GLN 67 CO 0.18 -1.63 0.64 0.00 0.50 0.00 0.00 175.29 174.98 2j4m s ALA 68 N 3.38 3.39 -0.36 1.58 0.00 -1.26 -4.60 121.76 123.88 2j4m s ALA 68 Ca 0.18 0.06 0.22 0.00 0.00 0.00 0.00 51.96 52.42 2j4m s ALA 68 Cb -0.20 -2.86 -0.13 0.00 0.00 0.00 0.00 23.12 19.93 2j4m s ALA 68 CO 0.09 -0.03 0.81 -2.37 0.00 0.00 0.00 175.76 174.27 2j4m n THR 69 N 3.53 0.17 -3.70 0.00 5.66 0.16 -4.88 114.28 115.23 2j4m n THR 69 Ca -0.03 -0.37 -0.12 0.00 -3.05 0.00 0.00 64.05 60.48 2j4m n THR 69 Cb 0.51 0.11 -0.09 0.00 -1.55 0.00 0.00 70.33 69.31 2j4m n THR 69 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2j4m s TYR 70 N -3.33 -0.62 -0.04 1.09 -0.85 -0.67 -5.01 117.35 107.91 2j4m s TYR 70 Ca -0.01 1.40 0.04 0.00 -0.52 0.00 0.00 57.07 57.98 2j4m s TYR 70 Cb 0.13 0.26 -0.03 0.00 0.38 0.00 0.00 41.96 42.71 2j4m s TYR 70 CO 0.85 -0.32 -0.16 0.99 -1.52 0.00 0.00 175.55 175.40 2j4m s THR 71 N 0.77 2.96 0.00 -3.49 2.01 -1.26 0.19 115.64 116.82 2j4m s THR 71 Ca -0.04 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.18 2j4m s THR 71 Cb -0.05 -2.15 0.00 0.00 0.01 0.00 0.00 72.50 70.31 2j4m s THR 71 CO -0.06 0.58 0.00 -0.67 -0.69 0.00 0.00 174.62 173.78 2j4m n ASP 72 N 2.29 1.88 0.00 3.53 2.03 0.11 -4.94 116.55 121.45 2j4m n ASP 72 Ca -0.17 -0.65 0.01 0.00 0.52 0.00 0.00 54.79 54.50 2j4m n ASP 72 Cb 0.52 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 41.00 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 5.00 -0.83 0.00 0.27 0.00 -1.26 -2.77 105.19 105.61 2j4m n GLY 73 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.55 1.05 0.00 1.61 8.00 -1.26 -5.12 116.55 120.27 2j4m n ASP 74 Ca 0.02 -1.42 0.00 0.00 0.71 0.00 0.00 54.79 54.10 2j4m n ASP 74 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 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 -0.21 0.66 3.90 0.44 0.00 -1.11 -4.86 105.19 104.01 2j4m n GLY 75 Ca 0.00 -2.11 -0.28 0.00 0.00 0.00 0.00 46.02 43.64 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 6.05 0.04 1.61 1.01 -1.26 0.06 116.67 120.18 2j4m s ASP 76 Ca 0.00 0.94 -0.04 0.00 0.71 0.00 0.00 52.55 54.16 2j4m s ASP 76 Cb 0.00 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.80 2j4m s ASP 76 CO 0.00 -0.78 0.06 0.26 0.21 0.00 0.00 175.17 174.92 2j4m s TRP 77 N -2.89 0.27 0.25 4.23 0.52 0.51 -2.11 118.94 119.73 2j4m s TRP 77 Ca 0.51 -0.63 0.01 0.00 0.02 0.00 0.00 56.10 56.00 2j4m s TRP 77 Cb -0.10 -0.20 -0.05 0.00 -1.15 0.00 0.00 33.47 31.97 2j4m s TRP 77 CO 0.46 -0.35 0.10 0.00 0.02 0.00 0.00 176.95 177.18 2j4m s ALA 78 N -2.80 1.67 -0.24 0.98 0.00 0.74 0.39 121.76 122.51 2j4m s ALA 78 Ca -0.03 -1.85 -0.02 0.00 0.00 0.00 0.00 51.96 50.06 2j4m s ALA 78 Cb -0.00 1.07 0.07 0.00 0.00 0.00 0.00 23.12 24.27 2j4m s ALA 78 CO -0.06 -0.47 0.04 0.12 0.00 0.00 0.00 175.76 175.40 2j4m s PHE 79 N -3.79 1.41 0.04 0.00 2.19 -1.26 -1.80 117.98 114.76 2j4m s PHE 79 Ca 0.38 -1.24 -0.03 0.00 0.33 0.00 0.00 56.93 56.36 2j4m s PHE 79 Cb 0.08 -1.30 -0.02 0.00 -1.31 0.00 0.00 43.02 40.46 2j4m s PHE 79 CO 0.13 -0.72 0.04 -1.83 1.83 0.00 0.00 175.22 174.67 2j4m s GLU 80 N 1.73 0.57 -2.00 10.12 4.04 -1.09 -4.82 118.70 127.24 2j4m s GLU 80 Ca 0.02 -0.91 0.00 0.00 0.04 0.00 0.00 54.97 54.11 2j4m s GLU 80 Cb -0.17 0.21 0.00 0.00 0.02 0.00 0.00 34.13 34.19 2j4m s GLU 80 CO -0.13 -0.13 0.00 0.09 -1.84 0.00 0.00 175.26 173.25 2j4m n ASN 81 N 0.61 -5.07 -1.84 0.83 5.03 -1.26 -1.30 115.26 112.26 2j4m n ASN 81 Ca -0.18 0.44 -0.12 0.00 0.87 0.00 0.00 54.58 55.59 2j4m n ASN 81 Cb 0.59 -4.50 0.03 0.00 -1.02 0.00 0.00 39.78 34.88 2j4m n ASN 81 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2j4m n GLY 82 N -0.40 0.07 3.10 7.41 0.00 -1.26 -5.03 105.19 109.08 2j4m n GLY 82 Ca -0.19 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.93 -0.18 -1.17 1.61 4.22 -0.42 -5.08 114.94 110.99 2j4m s ASN 83 Ca 0.20 0.32 -0.21 0.00 -2.14 0.00 0.00 52.86 51.03 2j4m s ASN 83 Cb -0.09 0.39 0.04 0.00 1.28 0.00 0.00 41.25 42.87 2j4m s ASN 83 CO 0.25 -0.13 1.66 0.26 -2.04 0.00 0.00 177.10 177.10 2j4m s TRP 84 N -0.17 2.56 0.29 1.54 0.52 -1.26 -2.67 118.94 119.75 2j4m s TRP 84 Ca -0.03 -1.03 -0.01 0.00 0.02 0.00 0.00 56.10 55.05 2j4m s TRP 84 Cb -0.03 -4.63 -0.04 0.00 -1.15 0.00 0.00 33.47 27.63 2j4m s TRP 84 CO 0.01 -1.80 0.50 0.00 0.02 0.00 0.00 176.95 175.68 2j4m s GLY 86 N -3.65 1.59 0.42 0.00 0.00 -1.07 -0.18 107.32 104.43 2j4m s GLY 86 Ca 0.40 -0.96 -0.22 0.00 0.00 0.00 0.00 44.72 43.94 2j4m s GLY 86 CO 0.33 -0.75 0.96 -0.42 0.00 0.00 0.00 173.10 173.21 2j4m s ILE 87 N -2.70 4.32 1.06 0.90 1.09 -0.90 -3.11 121.20 121.87 2j4m s ILE 87 Ca 0.50 1.52 -0.12 0.00 -1.10 0.00 0.00 60.65 61.45 2j4m s ILE 87 Cb -0.10 -3.65 0.22 0.00 -1.06 0.00 0.00 42.46 37.87 2j4m s ILE 87 CO 0.40 -0.24 1.03 0.29 -0.10 0.00 0.00 174.94 176.32 2j4m n LYS 88 N -0.47 -1.55 0.07 2.79 4.76 -1.25 0.15 118.16 122.66 2j4m n LYS 88 Ca 0.06 -0.41 0.09 0.00 -2.87 0.00 0.00 58.31 55.18 2j4m n LYS 88 Cb 0.53 -2.24 0.38 0.00 -1.84 0.00 0.00 35.03 31.86 2j4m n LYS 88 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2j4m n ASN 89 N -4.50 0.34 0.06 4.39 2.85 0.24 -3.49 115.26 115.15 2j4m n ASN 89 Ca 0.07 0.60 -0.03 0.00 -0.11 0.00 0.00 54.58 55.11 2j4m n ASN 89 Cb 0.53 -0.66 -0.01 0.00 1.24 0.00 0.00 39.78 40.87 2j4m n ASN 89 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 2j4m h SER 90 N 0.00 -0.17 -0.95 1.20 0.87 -1.79 -3.35 113.55 109.36 2j4m h SER 90 Ca 0.00 0.01 -0.47 0.00 -1.23 0.00 0.00 61.79 60.10 2j4m h SER 90 Cb 0.23 0.04 -0.17 0.00 -0.44 0.00 0.00 62.40 62.07 2j4m h SER 90 CO 0.00 0.05 0.32 0.00 -0.53 0.00 0.00 176.83 176.67 2j4m n LYS 92 N 1.01 1.59 -3.34 0.00 -0.00 -1.24 -4.84 118.16 111.35 2j4m n LYS 92 Ca 0.48 0.03 -0.10 0.00 -0.00 0.00 0.00 58.31 58.71 2j4m n LYS 92 Cb 0.59 -1.23 -0.01 0.00 -0.00 0.00 0.00 35.03 34.38 2j4m n LYS 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2j4m n GLN 93 N -2.54 0.64 0.00 -1.58 1.13 -1.26 -4.81 117.38 108.96 2j4m n GLN 93 Ca -0.17 -2.03 0.00 0.00 -1.94 0.00 0.00 57.00 52.86 2j4m n GLN 93 Cb 0.76 2.10 0.00 0.00 0.11 0.00 0.00 30.24 33.21 2j4m n GLN 93 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2j4m n GLN 94 N -0.44 0.00 -0.47 -1.09 1.13 -1.26 -4.78 117.38 110.47 2j4m n GLN 94 Ca -0.02 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.96 2j4m n GLN 94 Cb 0.45 -0.12 -0.06 0.00 0.11 0.00 0.00 30.24 30.63 2j4m n GLN 94 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2j4m n PRO 95 N -2.16 1.09 -0.17 -1.09 -0.04 -1.26 -4.58 135.00 126.79 2j4m n PRO 95 Ca 0.00 -0.67 0.29 0.00 -0.04 0.00 0.00 63.50 63.08 2j4m n PRO 95 Cb 0.00 -1.91 0.70 0.00 -0.04 0.00 0.00 33.50 32.25 2j4m n PRO 95 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2j4m h GLN 96 N 5.31 0.00 -0.58 0.54 -0.00 -1.94 0.19 115.11 118.64 2j4m h GLN 96 Ca 0.17 0.00 0.17 0.00 -0.00 0.00 0.00 58.65 58.99 2j4m h GLN 96 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.95 2j4m h GLN 96 CO 0.67 0.00 0.51 -0.97 -0.00 0.00 0.00 178.83 179.04 2j4m h ASN 97 N 0.00 0.00 -4.40 0.06 -1.24 -1.91 -3.41 115.58 104.68 2j4m h ASN 97 Ca 0.43 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 57.31 2j4m h ASN 97 Cb 1.98 0.00 -0.23 0.00 0.73 0.00 0.00 38.32 40.81 2j4m h ASN 97 CO -0.00 0.00 -0.33 0.20 -1.29 0.00 0.00 177.43 176.01 2j4m s ASN 98 N -5.45 -0.25 -0.77 1.15 0.02 0.68 -5.11 114.94 105.22 2j4m s ASN 98 Ca -0.05 0.35 -0.05 0.00 -1.02 0.00 0.00 52.86 52.09 2j4m s ASN 98 Cb 0.18 0.48 0.20 0.00 0.02 0.00 0.00 41.25 42.12 2j4m s ASN 98 CO 0.63 -0.27 0.64 0.20 0.02 0.00 0.00 177.10 178.32 2j4m s ASN 99 N -0.56 5.86 0.00 -1.22 0.01 -1.26 -4.79 114.94 112.98 2j4m s ASN 99 Ca -0.07 -3.12 0.00 0.00 -0.71 0.00 0.00 52.86 48.97 2j4m s ASN 99 Cb -0.04 -1.96 0.00 0.00 0.41 0.00 0.00 41.25 39.66 2j4m s ASN 99 CO 0.02 -0.35 0.00 0.00 -1.51 0.00 0.00 177.10 175.26