#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 0.41 -0.06 0.00 1.75 -1.14 -5.01 119.30 115.25 2j4m s MET 2 Ca 0.00 -0.16 0.06 0.00 -1.25 0.00 0.00 55.69 54.33 2j4m s MET 2 Cb 0.00 0.04 0.13 0.00 2.84 0.00 0.00 34.83 37.84 2j4m s MET 2 CO 0.00 -0.58 1.11 0.00 -0.65 0.00 0.00 175.02 174.89 2j4m n ALA 3 N 3.83 3.44 -2.45 4.11 0.00 0.65 -4.86 120.51 125.23 2j4m n ALA 3 Ca 0.08 -0.98 -0.42 0.00 0.00 0.00 0.00 53.44 52.12 2j4m n ALA 3 Cb 0.61 -0.47 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 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 7.01 0.00 -0.56 0.00 5.08 -1.93 -1.26 115.95 124.29 2j4m h TRP 5 Ca -0.39 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.49 2j4m h TRP 5 Cb 1.20 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.34 2j4m h TRP 5 CO 0.69 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.85 2j4m h ALA 6 N 1.87 0.95 0.00 0.11 0.00 -1.89 -2.16 119.26 118.15 2j4m h ALA 6 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2j4m h ALA 6 Cb 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2j4m h ALA 6 CO 0.00 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.88 2j4m n GLN 7 N -4.19 0.06 0.15 0.00 10.64 -0.48 -1.96 117.38 121.60 2j4m n GLN 7 Ca 0.03 0.20 0.01 0.00 -1.83 0.00 0.00 57.00 55.40 2j4m n GLN 7 Cb 0.33 -1.50 0.32 0.00 -0.86 0.00 0.00 30.24 28.53 2j4m n GLN 7 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 2j4m h SER 8 N 0.00 0.11 0.24 2.61 0.87 -1.47 -3.02 113.55 112.89 2j4m h SER 8 Ca 0.00 -0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.45 2j4m h SER 8 Cb 0.25 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2j4m h SER 8 CO 0.00 0.45 -1.83 0.00 -0.53 0.00 0.00 176.83 174.92 2j4m n GLN 9 N -4.10 0.65 0.00 2.24 10.64 -1.09 -4.97 117.38 120.74 2j4m n GLN 9 Ca -0.02 -0.08 0.00 0.00 -1.83 0.00 0.00 57.00 55.08 2j4m n GLN 9 Cb 0.40 -1.60 0.00 0.00 -0.86 0.00 0.00 30.24 28.19 2j4m n GLN 9 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2j4m n GLY 10 N 1.33 0.81 0.62 2.61 0.00 -1.14 -5.15 105.19 104.27 2j4m n GLY 10 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.65 -4.47 1.61 4.02 -0.83 -4.87 117.16 109.97 2j4m n TYR 11 Ca 0.00 -0.17 -0.23 0.00 -0.01 0.00 0.00 57.90 57.49 2j4m n TYR 11 Cb 0.00 -0.23 -0.10 0.00 -0.02 0.00 0.00 39.34 38.99 2j4m n TYR 11 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2j4m s ASN 12 N -2.15 3.07 0.23 7.72 2.20 -1.25 -3.78 114.94 120.97 2j4m s ASN 12 Ca 0.13 -1.21 -0.21 0.00 -0.94 0.00 0.00 52.86 50.62 2j4m s ASN 12 Cb -0.02 -0.23 -0.08 0.00 -2.00 0.00 0.00 41.25 38.92 2j4m s ASN 12 CO 0.10 -0.33 0.76 0.00 -2.94 0.00 0.00 177.10 174.69 2j4m n ASN 15 N 5.17 -0.16 -3.66 0.00 6.94 -1.26 -1.90 115.26 120.39 2j4m n ASN 15 Ca -0.12 1.11 -0.20 0.00 -0.02 0.00 0.00 54.58 55.35 2j4m n ASN 15 Cb 0.45 -0.89 0.00 0.00 -2.36 0.00 0.00 39.78 36.98 2j4m n ASN 15 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2j4m n ASN 16 N 1.50 -5.39 0.05 0.53 0.23 -1.26 -4.78 115.26 106.14 2j4m n ASN 16 Ca 0.19 -0.81 0.05 0.00 -0.53 0.00 0.00 54.58 53.48 2j4m n ASN 16 Cb 0.10 -2.37 0.24 0.00 -2.08 0.00 0.00 39.78 35.67 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 -2.54 0.05 0.00 -0.53 -0.04 -0.80 -1.67 135.00 129.47 2j4m n PRO 17 Ca -0.26 0.48 0.14 0.00 -0.04 0.00 0.00 63.50 63.83 2j4m n PRO 17 Cb 0.66 -1.65 0.85 0.00 -0.04 0.00 0.00 33.50 33.32 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 -1.75 0.00 -0.12 3.54 2.88 -1.26 -3.15 113.62 113.76 2j4m n SER 18 Ca 0.00 -0.86 0.00 0.00 -1.33 0.00 0.00 58.87 56.69 2j4m n SER 18 Cb 0.06 -0.02 0.01 0.00 -0.75 0.00 0.00 64.21 63.51 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 -1.02 0.37 -4.82 -3.46 2.88 -0.67 -5.08 113.62 101.82 2j4m n SER 19 Ca 0.21 -1.45 -0.36 0.00 -1.33 0.00 0.00 58.87 55.94 2j4m n SER 19 Cb 0.11 -0.07 -0.06 0.00 -0.75 0.00 0.00 64.21 63.44 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 -0.27 4.65 -0.32 2.46 2.01 -1.19 -5.04 115.64 117.95 2j4m s THR 20 Ca 0.02 1.17 -0.21 0.00 0.31 0.00 0.00 61.69 62.98 2j4m s THR 20 Cb 0.01 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 2j4m s THR 20 CO 0.00 0.27 0.65 -0.75 -0.69 0.00 0.00 174.62 174.10 2j4m s LYS 21 N -1.84 3.85 -0.72 4.92 2.36 -1.26 -5.01 119.74 122.04 2j4m s LYS 21 Ca 0.40 0.27 -0.20 0.00 -2.55 0.00 0.00 55.97 53.88 2j4m s LYS 21 Cb -0.17 -3.75 0.10 0.00 -1.05 0.00 0.00 37.83 32.96 2j4m s LYS 21 CO 0.21 -0.62 0.95 0.08 1.55 0.00 0.00 175.35 177.51 2j4m s VAL 22 N 2.67 4.58 -2.09 4.02 1.01 -1.26 -4.09 120.40 125.24 2j4m s VAL 22 Ca 0.26 -0.90 0.28 0.00 0.00 0.00 0.00 61.98 61.62 2j4m s VAL 22 Cb -0.15 -4.66 0.49 0.00 0.00 0.00 0.00 36.38 32.06 2j4m s VAL 22 CO 0.13 -1.39 1.76 -1.84 0.00 0.00 0.00 175.10 173.76 2j4m n GLU 23 N 6.99 1.19 -4.07 2.72 0.28 -1.03 -4.80 120.64 121.92 2j4m n GLU 23 Ca 0.03 -0.61 -0.17 0.00 -0.16 0.00 0.00 57.16 56.25 2j4m n GLU 23 Cb 0.46 -1.49 -0.16 0.00 1.43 0.00 0.00 31.44 31.69 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 -2.23 0.46 -0.25 -1.84 6.14 -0.93 -5.05 117.35 113.66 2j4m s TYR 24 Ca 0.33 -0.08 -0.03 0.00 0.64 0.00 0.00 57.07 57.93 2j4m s TYR 24 Cb 0.20 -0.42 0.14 0.00 0.42 0.00 0.00 41.96 42.31 2j4m s TYR 24 CO 0.42 -0.10 0.44 0.99 0.64 0.00 0.00 175.55 177.94 2j4m s THR 25 N 0.57 -0.72 0.00 4.34 2.01 -1.26 -0.03 115.64 120.55 2j4m s THR 25 Ca -0.06 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.91 2j4m s THR 25 Cb -0.10 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.57 2j4m s THR 25 CO -0.01 -0.07 0.00 -0.67 -0.69 0.00 0.00 174.62 173.19 2j4m n ASP 26 N 5.39 0.00 -0.29 3.53 4.64 -1.05 -4.98 116.55 123.78 2j4m n ASP 26 Ca -0.04 0.00 0.07 0.00 -1.38 0.00 0.00 54.79 53.44 2j4m n ASP 26 Cb 0.50 0.00 0.31 0.00 -1.04 0.00 0.00 41.12 40.89 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 2.53 -0.04 -1.67 0.00 -1.26 -3.33 120.51 113.74 2j4m n ALA 27 Ca 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 53.44 53.16 2j4m n ALA 27 Cb 0.00 -1.11 -0.15 0.00 0.00 0.00 0.00 19.45 18.19 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 -0.15 0.59 0.00 0.00 7.64 -1.26 -5.11 113.62 115.33 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 0.17 1.52 0.00 0.00 -1.01 0.00 0.00 64.21 64.89 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 1.60 0.63 3.71 0.23 0.00 -1.21 -5.07 105.19 105.08 2j4m n GLY 29 Ca -0.13 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.59 3.76 0.10 1.61 -0.21 -1.26 -2.54 119.66 119.53 2j4m s GLN 30 Ca 0.00 -0.29 0.04 0.00 0.02 0.00 0.00 55.36 55.14 2j4m s GLN 30 Cb 0.00 -3.18 -0.04 0.00 1.00 0.00 0.00 33.01 30.79 2j4m s GLN 30 CO 0.00 0.45 -0.11 -1.58 -2.12 0.00 0.00 175.29 171.93 2j4m s TRP 31 N -0.11 1.13 0.17 0.91 0.52 0.96 0.12 118.94 122.63 2j4m s TRP 31 Ca 0.08 -0.63 -0.25 0.00 0.02 0.00 0.00 56.10 55.32 2j4m s TRP 31 Cb -0.12 -0.61 0.06 0.00 -1.15 0.00 0.00 33.47 31.65 2j4m s TRP 31 CO 0.01 0.03 0.92 0.20 0.02 0.00 0.00 176.95 178.13 2j4m s GLY 32 N -2.43 -0.22 -0.42 0.98 0.00 -0.24 -2.18 107.32 102.81 2j4m s GLY 32 Ca 0.06 0.09 -0.11 0.00 0.00 0.00 0.00 44.72 44.76 2j4m s GLY 32 CO 0.01 -0.00 0.28 0.14 0.00 0.00 0.00 173.10 173.52 2j4m s VAL 33 N -3.37 4.52 -0.10 1.40 1.01 -1.26 -2.18 120.40 120.41 2j4m s VAL 33 Ca 0.12 -1.22 -0.02 0.00 0.00 0.00 0.00 61.98 60.85 2j4m s VAL 33 Cb -0.02 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2j4m s VAL 33 CO 0.03 -0.47 -0.02 -1.58 0.00 0.00 0.00 175.10 173.05 2j4m s GLN 34 N 1.50 3.16 -0.56 2.72 0.74 0.13 -4.51 119.66 122.84 2j4m s GLN 34 Ca 0.03 -0.47 0.00 0.00 0.05 0.00 0.00 55.36 54.97 2j4m s GLN 34 Cb -0.23 -2.79 0.00 0.00 1.10 0.00 0.00 33.01 31.09 2j4m s GLN 34 CO 0.04 0.55 0.00 0.27 -0.55 0.00 0.00 175.29 175.60 2j4m n ASN 35 N 2.61 -2.27 -0.64 6.67 6.94 -1.26 -0.08 115.26 127.23 2j4m n ASN 35 Ca -0.18 0.30 -0.01 0.00 -0.02 0.00 0.00 54.58 54.67 2j4m n ASN 35 Cb 0.53 -2.08 0.00 0.00 -2.36 0.00 0.00 39.78 35.87 2j4m n ASN 35 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2j4m n GLY 36 N -0.52 0.87 3.30 4.83 0.00 -1.26 -5.07 105.19 107.33 2j4m n GLY 36 Ca -0.07 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.96 0.57 0.41 1.61 -2.07 0.88 -5.13 119.66 110.97 2j4m s GLN 37 Ca 0.02 0.33 -0.22 0.00 -1.82 0.00 0.00 55.36 53.67 2j4m s GLN 37 Cb -0.01 0.27 -0.10 0.00 -1.09 0.00 0.00 33.01 32.08 2j4m s GLN 37 CO 0.02 -0.11 0.96 -1.58 -1.32 0.00 0.00 175.29 173.26 2j4m s TRP 38 N -0.32 3.36 -0.22 9.60 0.23 -1.26 -0.69 118.94 129.64 2j4m s TRP 38 Ca -0.05 1.64 -0.32 0.00 -2.03 0.00 0.00 56.10 55.35 2j4m s TRP 38 Cb -0.03 -2.90 0.16 0.00 0.03 0.00 0.00 33.47 30.73 2j4m s TRP 38 CO 0.02 -0.13 1.21 0.00 0.96 0.00 0.00 176.95 179.02 2j4m s GLY 40 N -1.53 2.43 -0.47 0.00 0.00 -1.26 -1.08 107.32 105.41 2j4m s GLY 40 Ca 0.07 -0.13 -0.28 0.00 0.00 0.00 0.00 44.72 44.38 2j4m s GLY 40 CO -0.04 0.87 1.67 -0.42 0.00 0.00 0.00 173.10 175.17 2j4m s ILE 41 N 0.71 3.58 -0.39 0.90 1.09 0.33 -4.59 121.20 122.84 2j4m s ILE 41 Ca 0.28 0.52 0.03 0.00 -1.10 0.00 0.00 60.65 60.38 2j4m s ILE 41 Cb -0.16 -4.00 0.11 0.00 -1.06 0.00 0.00 42.46 37.36 2j4m s ILE 41 CO 0.12 -0.78 0.13 -1.81 -0.10 0.00 0.00 174.94 172.50 2j4m s ASP 42 N 5.92 4.37 0.65 3.58 -0.00 -1.26 -4.64 116.67 125.29 2j4m s ASP 42 Ca 0.67 -2.32 0.37 0.00 -0.00 0.00 0.00 52.55 51.27 2j4m s ASP 42 Cb -0.16 -1.41 2.02 0.00 -0.00 0.00 0.00 42.92 43.38 2j4m s ASP 42 CO 0.28 -0.34 2.14 1.88 -0.00 0.00 0.00 175.17 179.13 2j4m h TYR 43 N 7.33 0.00 -1.59 4.23 0.05 -1.85 -2.10 116.97 123.04 2j4m h TYR 43 Ca -0.06 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 58.09 2j4m h TYR 43 Cb 0.98 0.00 -0.39 0.00 1.01 0.00 0.00 36.73 38.33 2j4m h TYR 43 CO 0.46 0.00 -0.36 0.43 -1.05 0.00 0.00 178.16 177.64 2j4m n SER 44 N -2.95 5.31 -1.26 3.88 7.64 -1.25 -4.79 113.62 120.20 2j4m n SER 44 Ca -0.02 -3.75 -0.03 0.00 1.01 0.00 0.00 58.87 56.08 2j4m n SER 44 Cb 0.21 -0.58 0.11 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 -0.50 1.00 -1.17 1.43 4.11 -0.79 -4.84 117.16 116.40 2j4m n TYR 45 Ca 0.42 -0.65 0.00 0.00 -0.00 0.00 0.00 57.90 57.68 2j4m n TYR 45 Cb 0.58 -0.39 0.00 0.00 -0.00 0.00 0.00 39.34 39.53 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 0.06 -0.18 3.54 -7.48 0.00 -1.26 0.24 105.19 100.11 2j4m n GLY 46 Ca 0.17 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.13 1.84 0.75 1.61 -0.21 -1.26 -1.84 119.66 118.41 2j4m s GLN 47 Ca 0.00 -1.86 -0.14 0.00 0.02 0.00 0.00 55.36 53.38 2j4m s GLN 47 Cb 0.00 -1.77 0.05 0.00 1.00 0.00 0.00 33.01 32.29 2j4m s GLN 47 CO 0.00 0.19 1.18 -0.80 -2.12 0.00 0.00 175.29 173.74 2j4m s ASN 48 N -3.60 4.13 -0.09 5.90 0.02 -1.26 -4.89 114.94 115.14 2j4m s ASN 48 Ca 0.32 2.26 0.05 0.00 -1.02 0.00 0.00 52.86 54.47 2j4m s ASN 48 Cb 0.00 -2.58 0.29 0.00 0.02 0.00 0.00 41.25 38.98 2j4m s ASN 48 CO 0.17 -2.30 0.97 0.00 0.02 0.00 0.00 177.10 175.95 2j4m n GLN 49 N -2.96 2.31 0.26 -0.60 0.00 -1.26 -4.41 117.38 110.72 2j4m n GLN 49 Ca 0.13 -1.11 0.11 0.00 0.00 0.00 0.00 57.00 56.13 2j4m n GLN 49 Cb 0.51 -1.75 0.45 0.00 0.00 0.00 0.00 30.24 29.46 2j4m n GLN 49 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 2j4m h GLY 50 N 4.53 0.00 -0.11 2.61 0.00 -1.90 -3.18 103.07 105.02 2j4m h GLY 50 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2j4m h GLY 50 CO 0.19 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.72 2j4m n ASN 51 N -2.85 -0.81 0.08 0.19 4.05 -1.26 -4.90 115.26 109.76 2j4m n ASN 51 Ca 0.02 0.00 0.17 0.00 0.45 0.00 0.00 54.58 55.22 2j4m n ASN 51 Cb 0.76 -0.35 0.69 0.00 1.23 0.00 0.00 39.78 42.11 2j4m n ASN 51 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 2j4m h GLU 52 N 0.00 0.00 0.00 1.20 5.08 -1.86 -3.45 114.58 115.54 2j4m h GLU 52 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2j4m h GLU 52 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2j4m h GLU 52 CO 0.00 0.00 0.02 0.45 -1.00 0.00 0.00 179.01 178.48 2j4m n SER 53 N -4.38 -0.18 -4.10 1.42 2.88 -1.26 -5.11 113.62 102.89 2j4m n SER 53 Ca 0.06 -1.13 -0.10 0.00 -1.33 0.00 0.00 58.87 56.37 2j4m n SER 53 Cb 0.45 0.31 -0.09 0.00 -0.75 0.00 0.00 64.21 64.13 2j4m n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2j4m s THR 55 N -4.04 4.83 0.00 0.00 2.01 -0.93 -4.08 115.64 113.43 2j4m s THR 55 Ca 0.24 0.97 0.00 0.00 0.31 0.00 0.00 61.69 63.21 2j4m s THR 55 Cb 0.06 -3.79 0.00 0.00 0.01 0.00 0.00 72.50 68.78 2j4m s THR 55 CO 0.03 0.37 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 2j4m n GLY 56 N 1.19 0.86 0.00 4.40 0.00 -1.26 -2.30 105.19 108.08 2j4m n GLY 56 Ca -0.08 0.00 0.08 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 0.08 1.61 5.03 -1.26 -2.49 115.26 118.24 2j4m n ASN 57 Ca 0.00 -1.36 -0.13 0.00 0.87 0.00 0.00 54.58 53.95 2j4m n ASN 57 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 38.69 2j4m n ASN 57 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 2j4m h GLY 58 N 5.13 0.36 0.00 7.41 0.00 -1.92 -3.45 103.07 110.60 2j4m h GLY 58 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 47.33 46.62 2j4m h GLY 58 CO 0.00 0.63 0.00 1.44 0.00 0.00 0.00 176.54 178.61 2j4m n SER 59 N -3.65 0.00 -3.82 0.19 7.64 -1.21 -5.15 113.62 107.61 2j4m n SER 59 Ca -0.07 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.61 2j4m n SER 59 Cb 0.89 0.09 0.13 0.00 -1.01 0.00 0.00 64.21 64.31 2j4m n SER 59 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2j4m n TYR 60 N -1.66 -3.44 -2.54 1.43 4.02 -1.04 -5.11 117.16 108.81 2j4m n TYR 60 Ca 0.00 -1.21 -0.24 0.00 -0.01 0.00 0.00 57.90 56.44 2j4m n TYR 60 Cb 0.00 -0.69 0.10 0.00 -0.02 0.00 0.00 39.34 38.73 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 -4.90 1.77 0.70 -0.72 0.04 -1.25 -4.20 135.00 126.44 2j4m s PRO 61 Ca 0.56 -1.00 -0.08 0.00 0.04 0.00 0.00 61.00 60.53 2j4m s PRO 61 Cb -0.02 -2.32 0.05 0.00 0.04 0.00 0.00 34.50 32.24 2j4m s PRO 61 CO 0.38 -1.38 1.03 0.00 0.04 0.00 0.00 177.00 177.07 2j4m n ASN 64 N -3.73 -3.10 -4.37 0.00 3.02 -1.26 -4.95 115.26 100.88 2j4m n ASN 64 Ca -0.39 0.01 -0.31 0.00 -0.03 0.00 0.00 54.58 53.85 2j4m n ASN 64 Cb 0.81 -0.62 -0.15 0.00 -0.61 0.00 0.00 39.78 39.20 2j4m n ASN 64 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2j4m s THR 65 N -1.99 2.42 -0.42 3.41 -1.32 -1.26 -4.98 115.64 111.49 2j4m s THR 65 Ca 0.00 -1.01 0.00 0.00 -1.21 0.00 0.00 61.69 59.47 2j4m s THR 65 Cb 0.00 -1.89 0.37 0.00 -1.51 0.00 0.00 72.50 69.47 2j4m s THR 65 CO 0.00 0.56 1.90 0.00 -2.21 0.00 0.00 174.62 174.87 2j4m s GLN 67 N -2.60 1.50 -0.33 0.00 -0.44 -1.26 -5.03 119.66 111.50 2j4m s GLN 67 Ca 0.44 -2.15 -0.24 0.00 -2.50 0.00 0.00 55.36 50.91 2j4m s GLN 67 Cb 0.36 -2.71 0.01 0.00 -1.64 0.00 0.00 33.01 29.03 2j4m s GLN 67 CO 0.02 -1.12 0.83 0.00 0.50 0.00 0.00 175.29 175.52 2j4m s ALA 68 N 0.25 3.49 -0.22 1.58 0.00 -1.26 -4.49 121.76 121.12 2j4m s ALA 68 Ca 0.16 -0.44 0.22 0.00 0.00 0.00 0.00 51.96 51.91 2j4m s ALA 68 Cb -0.24 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.48 2j4m s ALA 68 CO -0.02 -1.32 0.99 -2.37 0.00 0.00 0.00 175.76 173.04 2j4m n THR 69 N 5.66 0.56 -3.68 0.00 5.66 0.92 -4.89 114.28 118.51 2j4m n THR 69 Ca 0.05 -0.54 -0.10 0.00 -3.05 0.00 0.00 64.05 60.40 2j4m n THR 69 Cb 0.48 -0.30 -0.10 0.00 -1.55 0.00 0.00 70.33 68.86 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 -3.38 -0.71 -0.26 1.09 1.13 -0.71 -5.01 117.35 109.51 2j4m s TYR 70 Ca -0.01 1.49 0.02 0.00 -1.41 0.00 0.00 57.07 57.16 2j4m s TYR 70 Cb 0.10 0.35 0.05 0.00 -1.10 0.00 0.00 41.96 41.36 2j4m s TYR 70 CO 0.80 -0.38 -0.10 0.99 -2.51 0.00 0.00 175.55 174.35 2j4m s THR 71 N 1.37 2.31 0.04 -3.49 2.01 -1.26 0.16 115.64 116.79 2j4m s THR 71 Ca -0.09 -1.51 -0.27 0.00 0.31 0.00 0.00 61.69 60.13 2j4m s THR 71 Cb -0.07 -2.31 0.08 0.00 0.01 0.00 0.00 72.50 70.20 2j4m s THR 71 CO -0.14 0.02 0.69 -0.62 -0.69 0.00 0.00 174.62 173.88 2j4m s ASP 72 N 1.15 -0.57 0.00 3.53 -1.08 0.24 -4.87 116.67 115.07 2j4m s ASP 72 Ca -0.07 0.32 0.00 0.00 -0.52 0.00 0.00 52.55 52.28 2j4m s ASP 72 Cb -0.19 0.53 0.00 0.00 -1.46 0.00 0.00 42.92 41.80 2j4m s ASP 72 CO -0.05 -0.75 0.00 0.61 0.52 0.00 0.00 175.17 175.50 2j4m n GLY 73 N 0.24 2.24 0.00 2.66 0.00 -1.26 -3.59 105.19 105.48 2j4m n GLY 73 Ca -0.17 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 4.44 4.65 0.00 1.61 5.68 -1.26 -5.04 116.55 126.63 2j4m n ASP 74 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2j4m n ASP 74 Cb 0.00 0.80 0.00 0.00 -1.14 0.00 0.00 41.12 40.78 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 2.47 -0.95 3.92 6.12 0.00 -1.24 -3.83 105.19 111.68 2j4m n GLY 75 Ca 0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 4.68 0.01 1.61 1.11 -1.26 0.83 116.67 119.64 2j4m s ASP 76 Ca 0.00 0.57 -0.27 0.00 0.18 0.00 0.00 52.55 53.03 2j4m s ASP 76 Cb 0.00 -1.15 0.06 0.00 1.07 0.00 0.00 42.92 42.90 2j4m s ASP 76 CO 0.00 -1.73 0.62 0.26 1.18 0.00 0.00 175.17 175.50 2j4m s TRP 77 N -3.38 -0.57 0.05 4.23 0.52 0.43 -3.65 118.94 116.58 2j4m s TRP 77 Ca 0.61 0.83 -0.02 0.00 0.02 0.00 0.00 56.10 57.55 2j4m s TRP 77 Cb -0.11 0.41 -0.03 0.00 -1.15 0.00 0.00 33.47 32.59 2j4m s TRP 77 CO 0.46 -0.65 -0.01 0.00 0.02 0.00 0.00 176.95 176.78 2j4m s ALA 78 N -1.86 0.40 -0.34 0.98 0.00 -0.15 -0.06 121.76 120.73 2j4m s ALA 78 Ca -0.08 -1.08 -0.03 0.00 0.00 0.00 0.00 51.96 50.77 2j4m s ALA 78 Cb -0.01 0.27 0.07 0.00 0.00 0.00 0.00 23.12 23.45 2j4m s ALA 78 CO 0.04 -0.35 0.09 0.12 0.00 0.00 0.00 175.76 175.65 2j4m s PHE 79 N -3.60 3.36 0.09 0.00 5.99 -1.26 -1.30 117.98 121.26 2j4m s PHE 79 Ca 0.04 -1.92 0.06 0.00 0.00 0.00 0.00 56.93 55.11 2j4m s PHE 79 Cb 0.06 -2.50 -0.03 0.00 0.00 0.00 0.00 43.02 40.55 2j4m s PHE 79 CO -0.09 -0.84 -0.15 -1.83 -0.00 0.00 0.00 175.22 172.31 2j4m s GLU 80 N 1.26 0.94 -1.32 10.12 4.04 -1.06 -4.74 118.70 127.94 2j4m s GLU 80 Ca -0.00 -1.08 0.00 0.00 0.04 0.00 0.00 54.97 53.93 2j4m s GLU 80 Cb -0.21 -0.96 0.00 0.00 0.02 0.00 0.00 34.13 32.99 2j4m s GLU 80 CO -0.01 0.21 0.00 0.09 -1.84 0.00 0.00 175.26 173.71 2j4m n ASN 81 N 1.01 -3.89 -2.50 0.83 3.02 -1.26 -0.98 115.26 111.48 2j4m n ASN 81 Ca -0.19 0.25 -0.14 0.00 -0.03 0.00 0.00 54.58 54.47 2j4m n ASN 81 Cb 0.55 -3.46 0.05 0.00 -0.61 0.00 0.00 39.78 36.32 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 -0.53 -0.02 3.26 7.41 0.00 -1.26 -5.03 105.19 109.01 2j4m n GLY 82 Ca -0.15 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.36 -0.38 -0.78 1.61 2.20 -0.16 -5.10 114.94 108.97 2j4m s ASN 83 Ca 0.29 0.74 -0.26 0.00 -0.94 0.00 0.00 52.86 52.69 2j4m s ASN 83 Cb -0.13 0.75 0.01 0.00 -2.00 0.00 0.00 41.25 39.88 2j4m s ASN 83 CO 0.47 -0.13 1.57 0.26 -2.94 0.00 0.00 177.10 176.33 2j4m s TRP 84 N 0.19 2.08 0.44 1.54 0.23 -1.26 -2.55 118.94 119.61 2j4m s TRP 84 Ca -0.00 0.13 0.07 0.00 -2.03 0.00 0.00 56.10 54.27 2j4m s TRP 84 Cb -0.03 -4.41 -0.02 0.00 0.03 0.00 0.00 33.47 29.04 2j4m s TRP 84 CO 0.01 -2.07 0.32 0.00 0.96 0.00 0.00 176.95 176.16 2j4m s GLY 86 N -4.08 1.61 0.12 0.00 0.00 -0.97 -0.98 107.32 103.02 2j4m s GLY 86 Ca 0.44 -1.35 -0.30 0.00 0.00 0.00 0.00 44.72 43.51 2j4m s GLY 86 CO 0.25 -1.37 1.00 -0.42 0.00 0.00 0.00 173.10 172.56 2j4m s ILE 87 N -1.92 4.37 0.66 0.90 1.09 -1.24 -1.73 121.20 123.32 2j4m s ILE 87 Ca 0.31 1.96 -0.16 0.00 -1.10 0.00 0.00 60.65 61.66 2j4m s ILE 87 Cb -0.09 -4.25 0.00 0.00 -1.06 0.00 0.00 42.46 37.06 2j4m s ILE 87 CO 0.23 0.30 1.15 -0.54 -0.10 0.00 0.00 174.94 175.98 2j4m s LYS 88 N -0.00 2.69 0.50 2.79 -0.14 -1.26 -2.19 119.74 122.13 2j4m s LYS 88 Ca 0.48 1.57 0.18 0.00 -1.36 0.00 0.00 55.97 56.84 2j4m s LYS 88 Cb -0.25 -1.92 1.26 0.00 -1.68 0.00 0.00 37.83 35.24 2j4m s LYS 88 CO 0.31 -1.37 2.10 -0.91 -0.76 0.00 0.00 175.35 174.71 2j4m h ASN 89 N 0.17 0.00 0.32 2.83 2.35 -1.80 -0.56 115.58 118.89 2j4m h ASN 89 Ca -0.48 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.23 2j4m h ASN 89 Cb 1.27 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.63 2j4m h ASN 89 CO 0.53 0.08 -0.21 0.28 -1.65 0.00 0.00 177.43 176.46 2j4m h SER 90 N 0.00 0.00 -1.04 5.81 0.02 -1.81 -3.02 113.55 113.51 2j4m h SER 90 Ca -0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 2j4m h SER 90 Cb 0.16 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.52 2j4m h SER 90 CO 0.01 0.21 0.38 0.00 -1.14 0.00 0.00 176.83 176.30 2j4m n LYS 92 N 0.93 0.56 0.00 0.00 5.02 -1.14 -4.83 118.16 118.71 2j4m n LYS 92 Ca 0.49 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 2j4m n LYS 92 Cb 0.56 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 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 -3.98 0.00 -3.62 1.97 1.13 -1.26 -5.11 117.38 106.51 2j4m n GLN 93 Ca -0.50 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.41 2j4m n GLN 93 Cb 0.88 -0.59 -0.07 0.00 0.11 0.00 0.00 30.24 30.57 2j4m n GLN 93 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 2j4m s GLN 94 N -1.45 0.84 -0.86 -1.09 -2.07 -1.26 -5.08 119.66 108.69 2j4m s GLN 94 Ca 0.00 0.57 -0.19 0.00 -1.82 0.00 0.00 55.36 53.92 2j4m s GLN 94 Cb 0.00 0.40 -0.22 0.00 -1.09 0.00 0.00 33.01 32.11 2j4m s GLN 94 CO 0.00 -0.18 2.28 -0.35 -1.32 0.00 0.00 175.29 175.73 2j4m n PRO 95 N 1.98 0.32 -1.48 9.60 -0.04 -1.24 -4.61 135.00 139.53 2j4m n PRO 95 Ca -0.16 -0.54 -0.46 0.00 -0.04 0.00 0.00 63.50 62.30 2j4m n PRO 95 Cb 0.56 -2.63 -0.02 0.00 -0.04 0.00 0.00 33.50 31.37 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 7.46 0.60 -1.68 0.54 -0.00 -1.22 -4.99 117.38 118.09 2j4m n GLN 96 Ca 0.54 0.21 0.00 0.00 -0.00 0.00 0.00 57.00 57.75 2j4m n GLN 96 Cb 0.32 -1.39 0.00 0.00 -0.00 0.00 0.00 30.24 29.18 2j4m n GLN 96 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2j4m n ASN 97 N 1.63 1.12 -4.56 2.61 2.85 -1.26 -5.04 115.26 112.61 2j4m n ASN 97 Ca 0.14 -0.84 -0.39 0.00 -0.11 0.00 0.00 54.58 53.38 2j4m n ASN 97 Cb 0.30 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.28 2j4m n ASN 97 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2j4m n ASN 98 N -1.58 2.61 -4.60 1.20 5.15 -1.26 -4.90 115.26 111.89 2j4m n ASN 98 Ca 0.00 -0.21 -0.43 0.00 -0.60 0.00 0.00 54.58 53.34 2j4m n ASN 98 Cb 0.00 -1.55 -0.02 0.00 -0.53 0.00 0.00 39.78 37.68 2j4m n ASN 98 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2j4m s ASN 99 N 10.60 6.53 0.00 1.20 3.84 -1.26 -5.29 114.94 130.56 2j4m s ASN 99 Ca 1.00 0.57 0.07 0.00 0.21 0.00 0.00 52.86 54.71 2j4m s ASN 99 Cb -0.28 -2.55 0.43 0.00 -0.55 0.00 0.00 41.25 38.30 2j4m s ASN 99 CO 0.31 -1.33 0.89 0.00 -2.79 0.00 0.00 177.10 174.18