#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 0.39 -0.06 0.00 1.75 -1.03 -5.01 119.30 115.34 2j4m s MET 2 Ca 0.00 -0.10 0.05 0.00 -1.25 0.00 0.00 55.69 54.39 2j4m s MET 2 Cb 0.00 0.05 0.12 0.00 2.84 0.00 0.00 34.83 37.84 2j4m s MET 2 CO 0.00 -0.58 1.10 0.00 -0.65 0.00 0.00 175.02 174.90 2j4m n ALA 3 N 4.02 3.46 -1.46 4.11 0.00 0.45 -4.85 120.51 126.25 2j4m n ALA 3 Ca 0.07 -0.96 -0.35 0.00 0.00 0.00 0.00 53.44 52.20 2j4m n ALA 3 Cb 0.61 -0.46 0.08 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.03 0.00 -0.05 0.00 5.08 -1.94 -3.32 115.95 115.69 2j4m h TRP 5 Ca -0.48 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.43 2j4m h TRP 5 Cb 1.30 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.45 2j4m h TRP 5 CO 0.46 0.28 -0.21 0.00 -1.28 0.00 0.00 178.44 177.69 2j4m h ALA 6 N 1.72 1.56 -0.10 0.11 0.00 -1.91 -2.26 119.26 118.38 2j4m h ALA 6 Ca -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2j4m h ALA 6 Cb 1.26 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2j4m h ALA 6 CO 0.03 0.32 -0.04 -0.56 0.00 0.00 0.00 179.25 179.00 2j4m h GLN 7 N 0.08 0.14 -0.27 0.00 -0.00 -1.66 -1.29 115.11 112.12 2j4m h GLN 7 Ca 0.01 -0.02 0.08 0.00 -0.00 0.00 0.00 58.65 58.72 2j4m h GLN 7 Cb 0.41 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 27.86 2j4m h GLN 7 CO 0.03 0.20 0.28 0.77 -0.00 0.00 0.00 178.83 180.10 2j4m h SER 8 N 0.14 0.00 0.27 0.06 0.02 -1.61 -0.08 113.55 112.36 2j4m h SER 8 Ca 0.03 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.72 2j4m h SER 8 Cb 0.17 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 2j4m h SER 8 CO 0.01 0.00 -1.96 0.00 -1.14 0.00 0.00 176.83 173.73 2j4m n GLN 9 N -3.86 0.66 0.00 3.45 6.02 -0.53 -4.99 117.38 118.13 2j4m n GLN 9 Ca 0.04 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 2j4m n GLN 9 Cb 0.42 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 30.03 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 1.57 1.12 0.84 1.08 0.00 -0.04 -5.14 105.19 104.61 2j4m n GLY 10 Ca -0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 2j4m n GLY 10 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2j4m n TYR 11 N 0.00 -2.85 -4.39 1.61 4.02 -0.95 -4.85 117.16 109.75 2j4m n TYR 11 Ca 0.00 -0.23 -0.20 0.00 -0.01 0.00 0.00 57.90 57.46 2j4m n TYR 11 Cb 0.00 -0.30 -0.10 0.00 -0.02 0.00 0.00 39.34 38.92 2j4m n TYR 11 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 2j4m s ASN 12 N -2.26 2.85 0.40 7.72 0.01 -1.26 -3.69 114.94 118.71 2j4m s ASN 12 Ca 0.17 -1.05 -0.25 0.00 -0.71 0.00 0.00 52.86 51.02 2j4m s ASN 12 Cb -0.02 -0.18 -0.08 0.00 0.41 0.00 0.00 41.25 41.37 2j4m s ASN 12 CO 0.14 -0.15 1.16 0.00 -1.51 0.00 0.00 177.10 176.74 2j4m n ASN 15 N 5.08 -2.69 -4.02 0.00 5.15 -1.26 -2.11 115.26 115.41 2j4m n ASN 15 Ca -0.10 0.75 -0.39 0.00 -0.60 0.00 0.00 54.58 54.24 2j4m n ASN 15 Cb 0.41 -0.82 0.00 0.00 -0.53 0.00 0.00 39.78 38.84 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 2.17 -3.08 0.19 1.20 0.23 -1.26 -4.75 115.26 109.96 2j4m n ASN 16 Ca 0.10 -1.20 0.13 0.00 -0.53 0.00 0.00 54.58 53.08 2j4m n ASN 16 Cb 0.37 -2.18 0.67 0.00 -2.08 0.00 0.00 39.78 36.56 2j4m n ASN 16 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 2j4m h PRO 17 N -2.25 0.00 0.00 -0.53 0.13 -1.73 -1.31 132.00 126.31 2j4m h PRO 17 Ca -0.69 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 2j4m h PRO 17 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2j4m h PRO 17 CO 0.56 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.76 2j4m n SER 18 N -2.40 0.00 -0.10 1.44 7.64 -1.26 -3.06 113.62 115.88 2j4m n SER 18 Ca -0.01 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2j4m n SER 18 Cb 0.08 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 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 -1.38 0.12 -4.78 6.43 2.88 -0.52 -5.09 113.62 111.28 2j4m n SER 19 Ca 0.08 -1.27 -0.37 0.00 -1.33 0.00 0.00 58.87 55.97 2j4m n SER 19 Cb 0.19 -0.05 -0.05 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 -0.08 3.77 -0.41 2.46 2.01 -1.03 -5.00 115.64 117.36 2j4m s THR 20 Ca 0.00 1.46 -0.22 0.00 0.31 0.00 0.00 61.69 63.24 2j4m s THR 20 Cb 0.00 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.72 2j4m s THR 20 CO 0.00 0.11 0.74 -0.75 -0.69 0.00 0.00 174.62 174.04 2j4m s LYS 21 N -2.18 3.55 -0.73 4.92 2.47 -1.26 -5.00 119.74 121.51 2j4m s LYS 21 Ca 0.53 0.03 -0.20 0.00 -1.56 0.00 0.00 55.97 54.77 2j4m s LYS 21 Cb -0.23 -3.88 0.10 0.00 -1.46 0.00 0.00 37.83 32.36 2j4m s LYS 21 CO 0.30 -0.96 0.95 0.08 0.16 0.00 0.00 175.35 175.88 2j4m s VAL 22 N 3.08 4.59 -2.48 4.02 1.01 -1.26 -4.05 120.40 125.31 2j4m s VAL 22 Ca 0.29 -0.91 0.28 0.00 0.00 0.00 0.00 61.98 61.63 2j4m s VAL 22 Cb -0.13 -4.66 0.55 0.00 0.00 0.00 0.00 36.38 32.14 2j4m s VAL 22 CO 0.19 -1.39 1.75 -1.84 0.00 0.00 0.00 175.10 173.81 2j4m n GLU 23 N 6.97 1.65 -4.14 2.72 0.28 -1.11 -4.83 120.64 122.17 2j4m n GLU 23 Ca 0.03 -0.95 -0.16 0.00 -0.16 0.00 0.00 57.16 55.93 2j4m n GLU 23 Cb 0.46 -1.48 -0.14 0.00 1.43 0.00 0.00 31.44 31.71 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 -1.99 0.46 -0.30 -1.84 5.04 -1.12 -5.05 117.35 112.55 2j4m s TYR 24 Ca 0.38 -0.09 -0.09 0.00 -2.44 0.00 0.00 57.07 54.84 2j4m s TYR 24 Cb 0.21 -0.31 0.16 0.00 0.35 0.00 0.00 41.96 42.38 2j4m s TYR 24 CO 0.33 -0.02 0.76 0.99 -1.34 0.00 0.00 175.55 176.27 2j4m s THR 25 N -0.06 -0.81 0.00 4.34 2.01 -1.26 -1.41 115.64 118.45 2j4m s THR 25 Ca 0.01 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.01 2j4m s THR 25 Cb -0.03 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.48 2j4m s THR 25 CO -0.00 0.00 0.00 -0.90 -0.69 0.00 0.00 174.62 173.03 2j4m n ASP 26 N 5.35 0.00 -0.23 3.53 5.75 -1.07 -4.99 116.55 124.88 2j4m n ASP 26 Ca -0.07 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.78 2j4m n ASP 26 Cb 0.51 0.00 0.32 0.00 -1.03 0.00 0.00 41.12 40.92 2j4m n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2j4m n ALA 27 N -3.00 2.54 -0.07 2.12 0.00 -1.26 -3.30 120.51 117.54 2j4m n ALA 27 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 53.44 53.14 2j4m n ALA 27 Cb 0.00 -1.13 -0.16 0.00 0.00 0.00 0.00 19.45 18.16 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 0.22 0.00 0.00 7.64 -1.26 -5.11 113.62 114.87 2j4m n SER 28 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2j4m n SER 28 Cb 0.15 1.30 0.00 0.00 -1.01 0.00 0.00 64.21 64.64 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 1.65 0.48 3.39 0.23 0.00 -1.21 -5.06 105.19 104.67 2j4m n GLY 29 Ca -0.23 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.71 2.98 0.13 1.61 -0.21 -1.26 -2.61 119.66 118.59 2j4m s GLN 30 Ca 0.00 -0.72 0.05 0.00 0.02 0.00 0.00 55.36 54.71 2j4m s GLN 30 Cb 0.00 -2.48 -0.04 0.00 1.00 0.00 0.00 33.01 31.49 2j4m s GLN 30 CO 0.00 0.37 -0.12 -1.58 -2.12 0.00 0.00 175.29 171.85 2j4m s TRP 31 N -0.08 1.28 0.17 0.91 0.52 -0.50 -1.42 118.94 119.82 2j4m s TRP 31 Ca -0.03 -0.64 -0.24 0.00 0.02 0.00 0.00 56.10 55.21 2j4m s TRP 31 Cb -0.14 -0.66 0.06 0.00 -1.15 0.00 0.00 33.47 31.57 2j4m s TRP 31 CO 0.04 0.10 0.91 0.20 0.02 0.00 0.00 176.95 178.22 2j4m s GLY 32 N -2.70 -0.21 -0.27 0.98 0.00 0.44 -2.74 107.32 102.81 2j4m s GLY 32 Ca 0.11 0.06 0.01 0.00 0.00 0.00 0.00 44.72 44.90 2j4m s GLY 32 CO 0.02 -0.01 -0.07 0.54 0.00 0.00 0.00 173.10 173.58 2j4m s VAL 33 N -3.41 2.53 -0.09 1.40 0.11 -1.26 -1.12 120.40 118.57 2j4m s VAL 33 Ca 0.12 -1.48 0.04 0.00 -2.93 0.00 0.00 61.98 57.72 2j4m s VAL 33 Cb -0.02 -2.45 -0.01 0.00 -1.53 0.00 0.00 36.38 32.37 2j4m s VAL 33 CO 0.03 -0.03 -0.20 -1.58 -3.33 0.00 0.00 175.10 169.99 2j4m s GLN 34 N 1.18 2.89 -1.16 1.54 0.74 -0.48 -4.71 119.66 119.67 2j4m s GLN 34 Ca -0.07 -0.81 -0.00 0.00 0.05 0.00 0.00 55.36 54.53 2j4m s GLN 34 Cb -0.20 -2.35 0.00 0.00 1.10 0.00 0.00 33.01 31.56 2j4m s GLN 34 CO -0.04 0.32 0.97 -1.71 -0.55 0.00 0.00 175.29 174.28 2j4m n ASN 35 N 3.15 -2.19 -3.84 6.67 5.15 -1.26 -3.02 115.26 119.93 2j4m n ASN 35 Ca -0.18 -0.59 -0.25 0.00 -0.60 0.00 0.00 54.58 52.96 2j4m n ASN 35 Cb 0.52 -4.94 0.02 0.00 -0.53 0.00 0.00 39.78 34.85 2j4m n ASN 35 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2j4m n GLY 36 N -1.15 -0.33 3.55 8.20 0.00 -1.26 -4.98 105.19 109.22 2j4m n GLY 36 Ca -0.27 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 2j4m n GLY 36 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2j4m s GLN 37 N -6.31 0.89 0.37 1.61 -2.07 -1.17 -5.16 119.66 107.83 2j4m s GLN 37 Ca 0.19 0.28 -0.21 0.00 -1.82 0.00 0.00 55.36 53.80 2j4m s GLN 37 Cb -0.10 0.42 -0.10 0.00 -1.09 0.00 0.00 33.01 32.14 2j4m s GLN 37 CO 0.84 -0.27 0.90 -1.58 -1.32 0.00 0.00 175.29 173.87 2j4m s TRP 38 N -1.02 3.44 -0.16 9.60 0.23 -1.26 -1.38 118.94 128.39 2j4m s TRP 38 Ca -0.07 1.58 -0.34 0.00 -2.03 0.00 0.00 56.10 55.24 2j4m s TRP 38 Cb -0.01 -2.81 0.14 0.00 0.03 0.00 0.00 33.47 30.82 2j4m s TRP 38 CO 0.07 0.03 1.22 0.00 0.96 0.00 0.00 176.95 179.23 2j4m s GLY 40 N -2.31 1.43 -0.38 0.00 0.00 -1.00 -0.42 107.32 104.64 2j4m s GLY 40 Ca 0.10 -1.05 -0.18 0.00 0.00 0.00 0.00 44.72 43.60 2j4m s GLY 40 CO -0.04 -1.03 0.51 -0.42 0.00 0.00 0.00 173.10 172.11 2j4m s ILE 41 N -2.00 5.01 -0.33 0.90 1.09 -0.51 -2.79 121.20 122.58 2j4m s ILE 41 Ca 0.36 0.15 -0.02 0.00 -1.10 0.00 0.00 60.65 60.05 2j4m s ILE 41 Cb -0.10 -4.00 0.12 0.00 -1.06 0.00 0.00 42.46 37.42 2j4m s ILE 41 CO 0.30 -0.30 0.18 1.51 -0.10 0.00 0.00 174.94 176.53 2j4m s ASP 42 N 1.81 3.20 0.60 3.58 1.47 -1.26 -4.72 116.67 121.35 2j4m s ASP 42 Ca 0.17 -1.84 0.31 0.00 1.18 0.00 0.00 52.55 52.37 2j4m s ASP 42 Cb -0.16 -0.39 1.81 0.00 -0.34 0.00 0.00 42.92 43.84 2j4m s ASP 42 CO 0.14 -0.36 2.20 1.88 0.68 0.00 0.00 175.17 179.71 2j4m h TYR 43 N 7.56 0.00 -1.69 2.11 0.05 -1.95 -2.28 116.97 120.77 2j4m h TYR 43 Ca -0.04 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.06 2j4m h TYR 43 Cb 0.99 0.00 -0.35 0.00 1.01 0.00 0.00 36.73 38.38 2j4m h TYR 43 CO 0.38 0.00 0.14 0.43 -1.05 0.00 0.00 178.16 178.07 2j4m n SER 44 N -3.75 6.12 -1.84 3.88 7.64 -1.26 -4.72 113.62 119.68 2j4m n SER 44 Ca -0.01 -3.78 -0.12 0.00 1.01 0.00 0.00 58.87 55.97 2j4m n SER 44 Cb 0.18 -0.75 0.18 0.00 -1.01 0.00 0.00 64.21 62.81 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 -0.53 2.15 -1.62 1.43 4.11 -0.86 -4.84 117.16 117.00 2j4m n TYR 45 Ca 0.47 -1.27 -0.00 0.00 -0.00 0.00 0.00 57.90 57.10 2j4m n TYR 45 Cb 0.48 -0.69 -0.00 0.00 -0.00 0.00 0.00 39.34 39.13 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 -0.43 -3.12 2.25 -7.48 0.00 -1.26 0.17 105.19 95.32 2j4m n GLY 46 Ca 0.39 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 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 0.15 1.23 -1.26 1.61 6.02 -1.26 0.12 117.38 123.98 2j4m n GLN 47 Ca -0.03 -2.28 -0.29 0.00 -0.01 0.00 0.00 57.00 54.39 2j4m n GLN 47 Cb 0.05 0.59 0.15 0.00 1.02 0.00 0.00 30.24 32.04 2j4m n GLN 47 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2j4m s ASN 48 N -2.74 3.28 -0.30 1.08 0.01 -1.26 -4.65 114.94 110.37 2j4m s ASN 48 Ca 0.01 1.31 0.00 0.00 -0.71 0.00 0.00 52.86 53.47 2j4m s ASN 48 Cb -0.00 -1.98 0.27 0.00 0.41 0.00 0.00 41.25 39.95 2j4m s ASN 48 CO 0.01 -2.73 1.82 0.00 -1.51 0.00 0.00 177.10 174.69 2j4m n GLN 49 N -3.93 1.77 -0.87 -0.60 6.02 -1.26 -4.37 117.38 114.15 2j4m n GLN 49 Ca 0.06 -1.61 -0.01 0.00 -0.01 0.00 0.00 57.00 55.43 2j4m n GLN 49 Cb 0.56 -1.63 0.30 0.00 1.02 0.00 0.00 30.24 30.49 2j4m n GLN 49 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2j4m n GLY 50 N 0.06 3.83 2.41 1.08 0.00 -1.26 -3.94 105.19 107.36 2j4m n GLY 50 Ca 0.31 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.27 -4.85 0.00 1.61 5.15 -1.26 -4.80 115.26 110.84 2j4m n ASN 51 Ca 0.35 0.44 0.12 0.00 -0.60 0.00 0.00 54.58 54.89 2j4m n ASN 51 Cb 1.23 -4.33 0.61 0.00 -0.53 0.00 0.00 39.78 36.76 2j4m n ASN 51 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2j4m n GLU 52 N -2.25 0.27 -3.64 1.20 0.28 -1.26 -4.71 120.64 110.53 2j4m n GLU 52 Ca -0.18 0.06 -0.06 0.00 -0.16 0.00 0.00 57.16 56.81 2j4m n GLU 52 Cb 0.61 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.91 2j4m n GLU 52 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2j4m s SER 53 N -2.68 -0.97 0.34 -1.84 0.15 -1.26 -5.11 113.70 102.34 2j4m s SER 53 Ca 0.21 1.51 0.08 0.00 0.70 0.00 0.00 55.95 58.45 2j4m s SER 53 Cb 0.17 1.51 -0.05 0.00 -1.71 0.00 0.00 66.02 65.94 2j4m s SER 53 CO 0.40 -0.23 0.09 0.00 1.20 0.00 0.00 173.24 174.70 2j4m s THR 55 N -2.46 4.90 0.00 0.00 2.01 -0.52 -3.98 115.64 115.59 2j4m s THR 55 Ca 0.37 1.31 0.00 0.00 0.31 0.00 0.00 61.69 63.68 2j4m s THR 55 Cb -0.01 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.53 2j4m s THR 55 CO 0.21 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 175.15 2j4m n GLY 56 N 2.51 1.11 0.00 4.40 0.00 -1.26 -2.15 105.19 109.80 2j4m n GLY 56 Ca -0.06 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.62 1.61 3.02 -1.25 -2.72 115.26 115.29 2j4m n ASN 57 Ca 0.00 -1.34 0.00 0.00 -0.03 0.00 0.00 54.58 53.21 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 0.63 0.64 2.08 7.41 0.00 -1.26 -4.99 105.19 109.69 2j4m n GLY 58 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.05 -1.52 -4.31 1.61 7.64 -1.17 -5.17 113.62 110.75 2j4m n SER 59 Ca -0.00 0.33 -0.16 0.00 1.01 0.00 0.00 58.87 60.04 2j4m n SER 59 Cb 0.71 1.73 -0.10 0.00 -1.01 0.00 0.00 64.21 65.55 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 -1.34 1.49 1.00 1.43 1.51 -1.10 -5.07 117.35 115.27 2j4m s TYR 60 Ca 0.00 -0.84 -0.12 0.00 -1.01 0.00 0.00 57.07 55.10 2j4m s TYR 60 Cb 0.00 -0.82 0.16 0.00 -0.11 0.00 0.00 41.96 41.19 2j4m s TYR 60 CO 0.00 0.04 0.91 -0.35 -1.11 0.00 0.00 175.55 175.04 2j4m n PRO 61 N -0.35 -1.02 -1.20 -1.71 -0.04 -1.26 -3.95 135.00 125.47 2j4m n PRO 61 Ca -0.07 -0.25 -0.31 0.00 -0.04 0.00 0.00 63.50 62.84 2j4m n PRO 61 Cb 0.63 -2.19 0.11 0.00 -0.04 0.00 0.00 33.50 32.00 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 -2.29 0.00 -4.77 0.00 0.23 -1.26 -5.05 115.26 102.12 2j4m n ASN 64 Ca 0.00 0.00 -0.40 0.00 -0.53 0.00 0.00 54.58 53.65 2j4m n ASN 64 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 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 -0.92 3.11 -0.51 5.53 -1.32 -1.26 -4.81 115.64 115.46 2j4m s THR 65 Ca 0.00 1.09 0.01 0.00 -1.21 0.00 0.00 61.69 61.58 2j4m s THR 65 Cb 0.00 -3.68 0.54 0.00 -1.51 0.00 0.00 72.50 67.85 2j4m s THR 65 CO 0.00 0.23 1.94 0.00 -2.21 0.00 0.00 174.62 174.58 2j4m s GLN 67 N -3.32 1.60 -0.24 0.00 -0.44 -1.26 -4.97 119.66 111.03 2j4m s GLN 67 Ca 0.57 -2.22 -0.27 0.00 -2.50 0.00 0.00 55.36 50.93 2j4m s GLN 67 Cb 0.46 -2.88 0.01 0.00 -1.64 0.00 0.00 33.01 28.96 2j4m s GLN 67 CO 0.05 -1.10 0.97 0.00 0.50 0.00 0.00 175.29 175.71 2j4m s ALA 68 N 0.20 3.67 -0.12 1.58 0.00 -1.26 -4.52 121.76 121.31 2j4m s ALA 68 Ca 0.16 0.07 0.21 0.00 0.00 0.00 0.00 51.96 52.39 2j4m s ALA 68 Cb -0.24 -3.46 -0.22 0.00 0.00 0.00 0.00 23.12 19.20 2j4m s ALA 68 CO -0.02 -1.02 0.60 -2.37 0.00 0.00 0.00 175.76 172.95 2j4m n THR 69 N 5.31 0.53 -3.74 0.00 5.66 0.88 -4.90 114.28 118.03 2j4m n THR 69 Ca 0.10 -0.59 -0.12 0.00 -3.05 0.00 0.00 64.05 60.38 2j4m n THR 69 Cb 0.47 -0.26 -0.11 0.00 -1.55 0.00 0.00 70.33 68.88 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 -3.24 -0.43 -0.06 1.09 1.13 -0.41 -5.00 117.35 110.42 2j4m s TYR 70 Ca -0.06 0.99 0.05 0.00 -1.41 0.00 0.00 57.07 56.64 2j4m s TYR 70 Cb 0.11 0.15 -0.00 0.00 -1.10 0.00 0.00 41.96 41.12 2j4m s TYR 70 CO 0.86 -0.23 -0.21 0.99 -2.51 0.00 0.00 175.55 174.45 2j4m s THR 71 N 0.63 1.73 0.00 -3.49 2.01 -1.26 0.18 115.64 115.45 2j4m s THR 71 Ca -0.04 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 61.09 2j4m s THR 71 Cb -0.05 -1.49 0.00 0.00 0.01 0.00 0.00 72.50 70.97 2j4m s THR 71 CO -0.04 0.49 0.00 -0.67 -0.69 0.00 0.00 174.62 173.71 2j4m n ASP 72 N 3.21 1.89 0.00 3.53 -0.08 -0.14 -4.95 116.55 120.01 2j4m n ASP 72 Ca -0.18 -0.65 0.07 0.00 -1.51 0.00 0.00 54.79 52.51 2j4m n ASP 72 Cb 0.52 0.00 0.42 0.00 2.34 0.00 0.00 41.12 44.41 2j4m n ASP 72 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2j4m n GLY 73 N 4.73 -0.52 0.18 0.27 0.00 -1.26 -2.13 105.19 106.47 2j4m n GLY 73 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 45.97 2j4m n GLY 73 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2j4m n ASP 74 N -0.93 2.38 0.00 1.61 5.68 -1.26 -5.10 116.55 118.93 2j4m n ASP 74 Ca 0.11 -2.36 0.00 0.00 -0.50 0.00 0.00 54.79 52.04 2j4m n ASP 74 Cb 0.05 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 2j4m n ASP 74 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2j4m n GLY 75 N -0.59 -0.94 3.72 6.12 0.00 -0.90 -4.79 105.19 107.81 2j4m n GLY 75 Ca 0.07 -2.24 -0.29 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.29 2.77 -0.06 1.61 1.01 -1.26 -0.96 116.67 118.49 2j4m s ASP 76 Ca 0.00 1.00 -0.26 0.00 0.71 0.00 0.00 52.55 54.00 2j4m s ASP 76 Cb 0.00 -1.57 0.06 0.00 1.01 0.00 0.00 42.92 42.42 2j4m s ASP 76 CO 0.00 -3.02 0.57 0.26 0.21 0.00 0.00 175.17 173.20 2j4m s TRP 77 N -3.13 -0.53 -0.00 4.23 0.52 0.48 -3.52 118.94 116.99 2j4m s TRP 77 Ca 0.66 0.95 -0.02 0.00 0.02 0.00 0.00 56.10 57.70 2j4m s TRP 77 Cb -0.16 0.31 -0.00 0.00 -1.15 0.00 0.00 33.47 32.47 2j4m s TRP 77 CO 0.56 -0.52 0.04 0.00 0.02 0.00 0.00 176.95 177.05 2j4m s ALA 78 N -1.08 -0.09 -0.34 0.98 0.00 -0.54 -0.08 121.76 120.61 2j4m s ALA 78 Ca -0.11 -0.17 -0.11 0.00 0.00 0.00 0.00 51.96 51.57 2j4m s ALA 78 Cb -0.02 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.14 2j4m s ALA 78 CO 0.08 -0.12 0.20 0.12 0.00 0.00 0.00 175.76 176.04 2j4m s PHE 79 N -0.82 3.21 0.06 0.00 2.19 -1.26 -2.43 117.98 118.92 2j4m s PHE 79 Ca -0.09 -0.56 -0.05 0.00 0.33 0.00 0.00 56.93 56.56 2j4m s PHE 79 Cb -0.05 -2.42 -0.02 0.00 -1.31 0.00 0.00 43.02 39.22 2j4m s PHE 79 CO 0.00 -0.48 0.09 -1.83 1.83 0.00 0.00 175.22 174.83 2j4m s GLU 80 N 1.63 0.69 -1.42 10.12 4.04 -0.87 -4.84 118.70 128.05 2j4m s GLU 80 Ca 0.04 -0.99 0.00 0.00 0.04 0.00 0.00 54.97 54.07 2j4m s GLU 80 Cb -0.18 0.26 0.00 0.00 0.02 0.00 0.00 34.13 34.24 2j4m s GLU 80 CO 0.08 -0.18 0.00 -1.71 -1.84 0.00 0.00 175.26 171.61 2j4m n ASN 81 N 0.24 -4.14 -2.19 0.83 2.85 -1.26 -0.84 115.26 110.74 2j4m n ASN 81 Ca -0.16 0.26 -0.14 0.00 -0.11 0.00 0.00 54.58 54.43 2j4m n ASN 81 Cb 0.61 -3.66 0.04 0.00 1.24 0.00 0.00 39.78 38.01 2j4m n ASN 81 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2j4m n GLY 82 N -0.54 0.02 3.26 8.20 0.00 -1.26 -5.03 105.19 109.84 2j4m n GLY 82 Ca -0.16 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.06 -0.25 -0.96 1.61 0.01 -0.02 -5.10 114.94 107.17 2j4m s ASN 83 Ca 0.29 0.20 -0.17 0.00 -0.71 0.00 0.00 52.86 52.47 2j4m s ASN 83 Cb -0.13 0.37 0.15 0.00 0.41 0.00 0.00 41.25 42.06 2j4m s ASN 83 CO 0.36 -0.43 1.12 0.26 -1.51 0.00 0.00 177.10 176.90 2j4m s TRP 84 N -1.17 3.31 0.32 2.20 0.52 -1.26 -2.04 118.94 120.82 2j4m s TRP 84 Ca -0.12 -1.63 0.07 0.00 0.02 0.00 0.00 56.10 54.44 2j4m s TRP 84 Cb -0.05 -4.21 -0.03 0.00 -1.15 0.00 0.00 33.47 28.04 2j4m s TRP 84 CO 0.04 -1.39 0.31 0.00 0.02 0.00 0.00 176.95 175.93 2j4m s GLY 86 N -4.00 1.44 0.36 0.00 0.00 -0.91 -1.47 107.32 102.74 2j4m s GLY 86 Ca 0.40 -0.99 -0.19 0.00 0.00 0.00 0.00 44.72 43.94 2j4m s GLY 86 CO 0.27 -0.88 0.85 -0.42 0.00 0.00 0.00 173.10 172.92 2j4m s ILE 87 N -2.41 4.49 0.29 0.90 1.09 -1.23 -2.14 121.20 122.18 2j4m s ILE 87 Ca 0.44 1.31 -0.29 0.00 -1.10 0.00 0.00 60.65 61.01 2j4m s ILE 87 Cb -0.10 -3.67 -0.09 0.00 -1.06 0.00 0.00 42.46 37.53 2j4m s ILE 87 CO 0.37 -0.17 1.02 -0.54 -0.10 0.00 0.00 174.94 175.52 2j4m s LYS 88 N -2.87 4.65 0.62 2.79 -0.14 -1.26 -1.44 119.74 122.10 2j4m s LYS 88 Ca 0.56 1.61 0.36 0.00 -1.36 0.00 0.00 55.97 57.14 2j4m s LYS 88 Cb -0.11 -3.09 2.09 0.00 -1.68 0.00 0.00 37.83 35.03 2j4m s LYS 88 CO 0.17 0.28 2.31 -2.95 -0.76 0.00 0.00 175.35 174.39 2j4m h ASN 89 N 3.68 0.00 1.11 2.83 7.08 -1.62 0.41 115.58 129.08 2j4m h ASN 89 Ca -0.46 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.76 2j4m h ASN 89 Cb 1.21 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.45 2j4m h ASN 89 CO 0.66 0.00 0.00 -0.24 -2.08 0.00 0.00 177.43 175.78 2j4m n SER 90 N -3.52 0.49 -1.87 6.14 2.88 -1.26 -3.49 113.62 113.00 2j4m n SER 90 Ca -0.03 0.57 -0.17 0.00 -1.33 0.00 0.00 58.87 57.90 2j4m n SER 90 Cb 0.08 -0.69 0.06 0.00 -0.75 0.00 0.00 64.21 62.91 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 -0.00 0.19 0.00 0.00 5.02 -1.23 -4.87 118.16 117.27 2j4m n LYS 92 Ca 0.34 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 2j4m n LYS 92 Cb 0.76 -0.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.85 2j4m n LYS 92 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2j4m n GLN 93 N -3.22 0.00 -2.68 1.97 6.02 -1.26 -5.16 117.38 113.05 2j4m n GLN 93 Ca -0.05 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.73 2j4m n GLN 93 Cb 0.17 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.48 2j4m n GLN 93 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2j4m s GLN 94 N 0.00 2.44 -0.03 -1.09 -0.21 -1.26 -4.97 119.66 114.53 2j4m s GLN 94 Ca 0.00 -0.91 -0.06 0.00 0.02 0.00 0.00 55.36 54.41 2j4m s GLN 94 Cb 0.00 -2.50 -0.26 0.00 1.00 0.00 0.00 33.01 31.26 2j4m s GLN 94 CO 0.00 -0.78 3.49 -0.35 -2.12 0.00 0.00 175.29 175.53 2j4m n PRO 95 N -2.36 1.95 -2.04 2.91 -0.04 -1.26 -4.58 135.00 129.57 2j4m n PRO 95 Ca 0.09 -0.98 -0.08 0.00 -0.04 0.00 0.00 63.50 62.49 2j4m n PRO 95 Cb 0.60 -2.00 -0.01 0.00 -0.04 0.00 0.00 33.50 32.05 2j4m n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2j4m n GLN 96 N 2.54 -2.03 -0.07 0.54 10.64 -1.25 -4.73 117.38 123.01 2j4m n GLN 96 Ca 0.42 0.43 -0.12 0.00 -1.83 0.00 0.00 57.00 55.90 2j4m n GLN 96 Cb 0.87 -4.86 -0.05 0.00 -0.86 0.00 0.00 30.24 25.34 2j4m n GLN 96 CO 0.00 0.00 0.00 -2.95 -1.83 0.00 0.00 177.06 172.28 2j4m h ASN 97 N 0.00 0.44 -5.06 2.61 -1.07 -1.94 -3.46 115.58 107.10 2j4m h ASN 97 Ca -0.19 -0.39 -0.01 0.00 0.07 0.00 0.00 56.30 55.78 2j4m h ASN 97 Cb 0.94 -0.12 -0.10 0.00 -2.07 0.00 0.00 38.32 36.97 2j4m h ASN 97 CO 0.24 0.73 0.09 0.20 0.07 0.00 0.00 177.43 178.76 2j4m s ASN 98 N -6.06 -0.33 0.59 6.14 0.01 -1.26 -5.18 114.94 108.85 2j4m s ASN 98 Ca -0.14 -0.38 0.00 0.00 -0.71 0.00 0.00 52.86 51.64 2j4m s ASN 98 Cb 0.07 0.60 0.05 0.00 0.41 0.00 0.00 41.25 42.37 2j4m s ASN 98 CO 0.76 -1.06 0.83 0.20 -1.51 0.00 0.00 177.10 176.31 2j4m s ASN 99 N -2.85 5.11 0.00 -1.22 -0.87 -1.26 -4.99 114.94 108.86 2j4m s ASN 99 Ca 0.07 -0.01 0.00 0.00 -1.57 0.00 0.00 52.86 51.35 2j4m s ASN 99 Cb -0.01 -0.78 0.00 0.00 -0.02 0.00 0.00 41.25 40.43 2j4m s ASN 99 CO -0.04 -1.28 0.00 0.00 -2.57 0.00 0.00 177.10 173.20