#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jma n ASP 2 N 0.00 5.51 0.31 7.83 8.00 -1.26 -4.83 116.55 132.10 2jma n ASP 2 Ca 0.00 -3.21 0.20 0.00 0.71 0.00 0.00 54.79 52.49 2jma n ASP 2 Cb 0.00 -1.25 1.07 0.00 -0.02 0.00 0.00 41.12 40.93 2jma n ASP 2 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2jma h GLU 3 N 5.97 0.00 -0.63 -1.24 3.07 -2.02 0.55 114.58 120.29 2jma h GLU 3 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 2jma h GLU 3 Cb 0.76 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 2jma h GLU 3 CO 1.09 0.00 0.00 -2.37 -1.40 0.00 0.00 179.01 176.33 2jma n THR 4 N -2.91 2.28 -1.69 1.13 5.66 -1.26 -4.50 114.28 112.98 2jma n THR 4 Ca -0.03 -1.28 -0.34 0.00 -3.05 0.00 0.00 64.05 59.36 2jma n THR 4 Cb 0.09 -0.08 -0.00 0.00 -1.55 0.00 0.00 70.33 68.79 2jma n THR 4 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jma n GLY 5 N 0.90 4.96 0.00 1.09 0.00 0.18 -4.87 105.19 107.46 2jma n GLY 5 Ca 0.27 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 44.10 2jma n GLY 5 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jma n LYS 6 N 0.12 0.00 -1.68 1.61 5.02 -1.26 -5.08 118.16 116.89 2jma n LYS 6 Ca 0.51 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 56.34 2jma n LYS 6 Cb 0.39 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.36 2jma n LYS 6 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2jma n GLU 7 N 0.00 2.38 -3.96 1.97 2.13 -1.26 -4.83 120.64 117.07 2jma n GLU 7 Ca 0.00 0.87 -0.32 0.00 0.66 0.00 0.00 57.16 58.37 2jma n GLU 7 Cb 0.00 -2.73 -0.05 0.00 0.27 0.00 0.00 31.44 28.93 2jma n GLU 7 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2jma s LEU 8 N 3.41 4.21 0.13 4.31 1.43 -1.26 0.91 118.68 131.81 2jma s LEU 8 Ca 0.88 0.24 0.04 0.00 -1.03 0.00 0.00 54.13 54.26 2jma s LEU 8 Cb -0.62 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 2jma s LEU 8 CO 0.46 0.23 -0.09 0.68 0.23 0.00 0.00 176.35 177.85 2jma s VAL 9 N -1.36 1.01 -0.12 -1.59 -7.23 0.49 -1.38 120.40 110.21 2jma s VAL 9 Ca 0.29 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.49 2jma s VAL 9 Cb -0.13 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 2jma s VAL 9 CO 0.21 -0.74 -0.05 -0.22 -0.31 0.00 0.00 175.10 173.99 2jma s LEU 10 N -3.00 3.23 -0.55 1.32 2.96 0.42 -0.45 118.68 122.60 2jma s LEU 10 Ca 0.13 -0.08 -0.26 0.00 -0.22 0.00 0.00 54.13 53.70 2jma s LEU 10 Cb 0.02 -1.75 0.03 0.00 0.50 0.00 0.00 46.19 45.00 2jma s LEU 10 CO -0.01 0.25 1.07 0.00 -1.32 0.00 0.00 176.35 176.34 2jma s ALA 11 N -0.13 3.09 0.22 5.97 0.00 -0.63 -1.53 121.76 128.75 2jma s ALA 11 Ca 0.02 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 2jma s ALA 11 Cb -0.13 -3.88 0.22 0.00 0.00 0.00 0.00 23.12 19.33 2jma s ALA 11 CO 0.03 -2.48 1.63 -0.07 0.00 0.00 0.00 175.76 174.86 2jma h LEU 12 N 11.41 0.69 -8.71 0.00 4.07 -1.33 -2.18 115.31 119.26 2jma h LEU 12 Ca -0.25 -0.26 -0.30 0.00 0.08 0.00 0.00 57.88 57.15 2jma h LEU 12 Cb 1.06 -0.19 -0.15 0.00 1.08 0.00 0.00 40.66 42.47 2jma h LEU 12 CO 1.13 0.94 -0.60 -0.31 -1.08 0.00 0.00 178.44 178.52 2jma s TYR 13 N -4.48 1.33 0.12 1.13 2.02 -1.25 -4.81 117.35 111.41 2jma s TYR 13 Ca -0.08 -1.36 -0.27 0.00 -0.37 0.00 0.00 57.07 54.98 2jma s TYR 13 Cb 0.13 -0.67 -0.07 0.00 -0.40 0.00 0.00 41.96 40.95 2jma s TYR 13 CO 0.83 -0.59 0.85 0.34 -1.57 0.00 0.00 175.55 175.41 2jma s ASP 14 N -3.23 7.41 0.02 2.29 2.15 -1.26 -3.69 116.67 120.37 2jma s ASP 14 Ca 0.39 1.68 0.02 0.00 0.43 0.00 0.00 52.55 55.06 2jma s ASP 14 Cb 0.07 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 40.14 2jma s ASP 14 CO 0.14 0.06 -0.06 -0.47 -0.17 0.00 0.00 175.17 174.67 2jma s TYR 15 N -0.48 0.51 -0.12 -5.34 5.04 -0.62 -4.96 117.35 111.39 2jma s TYR 15 Ca 0.41 -0.35 0.02 0.00 -2.44 0.00 0.00 57.07 54.71 2jma s TYR 15 Cb -0.23 -0.32 -0.01 0.00 0.35 0.00 0.00 41.96 41.76 2jma s TYR 15 CO 0.27 -0.07 -0.18 -0.65 -1.34 0.00 0.00 175.55 173.58 2jma s GLN 16 N -1.03 3.22 0.31 4.97 -1.52 -1.26 -2.01 119.66 122.34 2jma s GLN 16 Ca -0.07 -0.78 -0.29 0.00 -1.95 0.00 0.00 55.36 52.27 2jma s GLN 16 Cb -0.07 -2.47 -0.11 0.00 -0.22 0.00 0.00 33.01 30.14 2jma s GLN 16 CO 0.00 0.20 1.45 -1.83 -0.25 0.00 0.00 175.29 174.86 2jma s GLU 17 N 0.35 4.22 -0.19 2.91 -1.05 -1.26 -4.91 118.70 118.77 2jma s GLU 17 Ca -0.15 2.41 0.03 0.00 -0.15 0.00 0.00 54.97 57.11 2jma s GLU 17 Cb -0.17 -3.05 -0.14 0.00 -0.44 0.00 0.00 34.13 30.34 2jma s GLU 17 CO 0.07 -0.43 -0.14 1.63 0.95 0.00 0.00 175.26 177.33 2jma n LYS 18 N 1.44 0.63 -4.33 -4.83 5.02 -1.26 -4.97 118.16 109.85 2jma n LYS 18 Ca 0.04 0.10 -0.26 0.00 -2.02 0.00 0.00 58.31 56.17 2jma n LYS 18 Cb 0.40 -1.39 -0.09 0.00 -0.02 0.00 0.00 35.03 33.93 2jma n LYS 18 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2jma s SER 19 N -5.77 4.19 0.06 4.39 1.04 -1.26 -5.00 113.70 111.35 2jma s SER 19 Ca -0.24 -1.18 0.10 0.00 0.48 0.00 0.00 55.95 55.11 2jma s SER 19 Cb 0.06 -0.45 0.45 0.00 0.10 0.00 0.00 66.02 66.18 2jma s SER 19 CO 0.48 -0.48 1.31 -2.65 0.98 0.00 0.00 173.24 172.88 2jma n PRO 20 N -1.11 0.03 -0.75 4.02 -0.02 -1.26 -1.19 135.00 134.72 2jma n PRO 20 Ca -0.03 0.41 0.01 0.00 -2.02 0.00 0.00 63.50 61.87 2jma n PRO 20 Cb 0.65 -1.58 0.27 0.00 -0.02 0.00 0.00 33.50 32.82 2jma n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jma n ALA 21 N -1.55 3.89 -2.46 3.55 0.00 -1.26 -4.95 120.51 117.72 2jma n ALA 21 Ca 0.01 -2.49 -0.23 0.00 0.00 0.00 0.00 53.44 50.74 2jma n ALA 21 Cb 0.09 -0.93 -0.11 0.00 0.00 0.00 0.00 19.45 18.49 2jma n ALA 21 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2jma s GLU 22 N -2.98 1.29 0.02 0.00 2.02 -0.34 -0.00 118.70 118.72 2jma s GLU 22 Ca 0.48 -1.40 0.03 0.00 0.02 0.00 0.00 54.97 54.11 2jma s GLU 22 Cb 0.40 -1.41 -0.02 0.00 0.10 0.00 0.00 34.13 33.19 2jma s GLU 22 CO 0.09 0.30 -0.10 0.14 0.02 0.00 0.00 175.26 175.70 2jma s VAL 23 N -1.89 0.81 0.02 2.63 -7.23 -1.03 -4.66 120.40 109.05 2jma s VAL 23 Ca 0.15 -0.76 -0.25 0.00 -1.81 0.00 0.00 61.98 59.31 2jma s VAL 23 Cb -0.07 -0.74 -0.05 0.00 0.56 0.00 0.00 36.38 36.08 2jma s VAL 23 CO 0.07 -0.01 0.76 -0.89 -0.31 0.00 0.00 175.10 174.72 2jma s THR 24 N -0.70 4.82 0.25 5.32 2.01 -1.26 -4.24 115.64 121.83 2jma s THR 24 Ca -0.00 1.61 0.05 0.00 0.31 0.00 0.00 61.69 63.66 2jma s THR 24 Cb -0.06 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 2jma s THR 24 CO 0.00 0.33 -0.04 0.00 -0.69 0.00 0.00 174.62 174.22 2jma s MET 25 N 0.20 1.44 0.04 4.92 0.23 -0.85 -4.97 119.30 120.30 2jma s MET 25 Ca 0.39 -1.72 0.04 0.00 -1.03 0.00 0.00 55.69 53.38 2jma s MET 25 Cb -0.20 -0.92 -0.02 0.00 -1.53 0.00 0.00 34.83 32.16 2jma s MET 25 CO 0.22 -0.00 -0.13 0.15 -2.03 0.00 0.00 175.02 173.23 2jma s LYS 26 N -3.78 0.86 0.16 3.16 3.01 -1.26 -1.59 119.74 120.31 2jma s LYS 26 Ca 0.28 -0.73 -0.32 0.00 -1.01 0.00 0.00 55.97 54.19 2jma s LYS 26 Cb 0.04 -0.84 -0.12 0.00 -1.01 0.00 0.00 37.83 35.90 2jma s LYS 26 CO 0.10 0.21 1.73 1.17 0.51 0.00 0.00 175.35 179.06 2jma n LYS 27 N 1.91 2.61 -0.03 1.68 3.00 -1.24 -1.73 118.16 124.36 2jma n LYS 27 Ca -0.18 0.94 0.00 0.00 -0.00 0.00 0.00 58.31 59.07 2jma n LYS 27 Cb 0.55 -2.79 0.00 0.00 0.00 0.00 0.00 35.03 32.79 2jma n LYS 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jma n GLY 28 N 3.93 0.45 3.85 3.14 0.00 -0.82 -5.00 105.19 110.74 2jma n GLY 28 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 2jma n GLY 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jma s ASP 29 N -2.86 6.77 -0.44 1.61 -1.08 -0.71 -4.91 116.67 115.06 2jma s ASP 29 Ca 0.00 0.97 -0.17 0.00 -0.52 0.00 0.00 52.55 52.83 2jma s ASP 29 Cb 0.00 -2.25 0.03 0.00 -1.46 0.00 0.00 42.92 39.25 2jma s ASP 29 CO 0.00 0.17 0.44 -0.63 0.52 0.00 0.00 175.17 175.67 2jma s ILE 30 N -1.37 5.10 0.31 4.11 1.09 -1.26 -1.61 121.20 127.57 2jma s ILE 30 Ca 0.34 -0.49 -0.04 0.00 -1.10 0.00 0.00 60.65 59.35 2jma s ILE 30 Cb -0.15 -4.07 -0.05 0.00 -1.06 0.00 0.00 42.46 37.13 2jma s ILE 30 CO 0.18 -0.48 0.57 -0.76 -0.10 0.00 0.00 174.94 174.35 2jma s LEU 31 N 2.09 4.02 -0.20 2.97 2.01 0.40 -4.90 118.68 125.07 2jma s LEU 31 Ca 0.11 0.69 -0.06 0.00 0.01 0.00 0.00 54.13 54.88 2jma s LEU 31 Cb -0.18 -3.53 -0.03 0.00 0.01 0.00 0.00 46.19 42.46 2jma s LEU 31 CO 0.12 -0.24 0.03 -0.89 1.01 0.00 0.00 176.35 176.38 2jma s THR 32 N -2.17 4.27 0.01 5.49 2.01 -1.11 -0.38 115.64 123.75 2jma s THR 32 Ca 0.44 -0.20 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 2jma s THR 32 Cb -0.10 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 2jma s THR 32 CO 0.32 0.42 1.01 -0.76 -0.69 0.00 0.00 174.62 174.92 2jma s LEU 33 N 0.92 4.37 -0.12 4.42 1.43 0.26 -0.66 118.68 129.30 2jma s LEU 33 Ca 0.02 1.71 0.01 0.00 -1.03 0.00 0.00 54.13 54.84 2jma s LEU 33 Cb -0.14 -3.57 -0.08 0.00 0.03 0.00 0.00 46.19 42.43 2jma s LEU 33 CO 0.02 -0.29 -0.11 0.18 0.23 0.00 0.00 176.35 176.38 2jma n LEU 34 N 3.93 2.88 -3.65 1.79 4.77 0.85 -4.25 117.00 123.32 2jma n LEU 34 Ca 0.06 -0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 55.95 2jma n LEU 34 Cb 0.50 -0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 2jma n LEU 34 CO 0.52 0.68 0.20 0.21 -1.33 0.00 0.00 177.39 177.67 2jma s ASN 35 N -5.23 -0.85 -0.26 -1.43 3.84 -0.92 -5.00 114.94 105.09 2jma s ASN 35 Ca -0.16 1.38 0.09 0.00 0.21 0.00 0.00 52.86 54.37 2jma s ASN 35 Cb 0.04 1.87 0.45 0.00 -0.55 0.00 0.00 41.25 43.06 2jma s ASN 35 CO 0.28 -0.22 1.25 -1.54 -2.79 0.00 0.00 177.10 174.08 2jma n SER 36 N 5.26 3.31 0.00 -4.21 3.41 -1.26 -0.39 113.62 119.74 2jma n SER 36 Ca -0.12 -3.83 0.08 0.00 -0.26 0.00 0.00 58.87 54.73 2jma n SER 36 Cb 0.50 -0.47 0.34 0.00 -0.26 0.00 0.00 64.21 64.32 2jma n SER 36 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2jma n THR 37 N -0.94 0.91 -4.36 6.66 5.66 -1.26 -4.64 114.28 116.30 2jma n THR 37 Ca 0.32 0.23 -0.32 0.00 -3.05 0.00 0.00 64.05 61.23 2jma n THR 37 Cb 0.84 -0.96 -0.10 0.00 -1.55 0.00 0.00 70.33 68.57 2jma n THR 37 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2jma s ASN 38 N -2.99 4.85 0.12 1.09 3.84 -1.26 -5.02 114.94 115.57 2jma s ASN 38 Ca 0.08 -0.10 0.18 0.00 0.21 0.00 0.00 52.86 53.23 2jma s ASN 38 Cb 0.10 -1.19 -0.08 0.00 -0.55 0.00 0.00 41.25 39.54 2jma s ASN 38 CO 0.29 0.27 0.96 0.11 -2.79 0.00 0.00 177.10 175.94 2jma h LYS 39 N 4.37 0.00 0.00 0.43 1.57 -2.01 -3.38 116.57 117.56 2jma h LYS 39 Ca -0.49 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.03 2jma h LYS 39 Cb 1.17 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.43 2jma h LYS 39 CO 0.55 0.27 -2.21 -0.25 -0.57 0.00 0.00 179.45 177.24 2jma n ASP 40 N -2.91 0.09 -4.04 0.86 8.00 -1.26 -4.64 116.55 112.65 2jma n ASP 40 Ca -0.06 0.04 -0.23 0.00 0.71 0.00 0.00 54.79 55.25 2jma n ASP 40 Cb 0.77 1.13 -0.16 0.00 -0.02 0.00 0.00 41.12 42.84 2jma n ASP 40 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2jma s TRP 41 N -2.76 1.30 -0.06 1.24 0.52 -1.26 -0.58 118.94 117.34 2jma s TRP 41 Ca -0.09 -0.38 0.06 0.00 0.02 0.00 0.00 56.10 55.71 2jma s TRP 41 Cb 0.08 -0.92 -0.01 0.00 -1.15 0.00 0.00 33.47 31.48 2jma s TRP 41 CO 0.85 -0.16 -0.24 -1.58 0.02 0.00 0.00 176.95 175.83 2jma s TRP 42 N 0.28 2.39 -0.24 -1.98 0.52 0.88 -4.02 118.94 116.78 2jma s TRP 42 Ca -0.06 -0.75 -0.25 0.00 0.02 0.00 0.00 56.10 55.06 2jma s TRP 42 Cb -0.11 -1.58 -0.01 0.00 -1.15 0.00 0.00 33.47 30.62 2jma s TRP 42 CO 0.02 -0.24 0.83 0.21 0.02 0.00 0.00 176.95 177.79 2jma s LYS 43 N -0.08 4.19 0.36 4.98 2.20 0.48 -0.67 119.74 131.20 2jma s LYS 43 Ca -0.06 0.95 0.03 0.00 -0.36 0.00 0.00 55.97 56.54 2jma s LYS 43 Cb -0.14 -3.64 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 2jma s LYS 43 CO 0.04 -0.51 0.10 0.14 -0.36 0.00 0.00 175.35 174.76 2jma s VAL 44 N 2.80 0.81 -0.08 4.02 -7.23 0.10 -0.10 120.40 120.72 2jma s VAL 44 Ca 0.35 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 2jma s VAL 44 Cb -0.15 -2.54 0.02 0.00 0.56 0.00 0.00 36.38 34.26 2jma s VAL 44 CO 0.08 0.00 -0.10 -0.70 -0.31 0.00 0.00 175.10 174.06 2jma s GLU 45 N -3.82 1.61 -0.18 4.82 2.12 0.17 -1.42 118.70 122.00 2jma s GLU 45 Ca 0.30 -0.34 0.01 0.00 0.36 0.00 0.00 54.97 55.30 2jma s GLU 45 Cb 0.05 -1.46 0.03 0.00 0.26 0.00 0.00 34.13 33.01 2jma s GLU 45 CO 0.15 -0.09 -0.13 0.14 -0.54 0.00 0.00 175.26 174.78 2jma s VAL 46 N 1.09 1.71 0.00 3.70 -7.23 0.50 -2.76 120.40 117.40 2jma s VAL 46 Ca -0.07 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 2jma s VAL 46 Cb -0.14 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.12 2jma s VAL 46 CO -0.01 0.33 0.00 -0.46 -0.31 0.00 0.00 175.10 174.65 2jma n ASN 47 N 4.69 0.00 0.00 4.85 0.23 -1.26 0.07 115.26 123.84 2jma n ASN 47 Ca -0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.88 2jma n ASN 47 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 2jma n ASN 47 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2jma n ASP 48 N 0.00 0.00 -4.76 0.53 2.03 -1.26 -5.03 116.55 108.06 2jma n ASP 48 Ca 0.00 -0.15 -0.36 0.00 0.52 0.00 0.00 54.79 54.80 2jma n ASP 48 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 2jma n ASP 48 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2jma s ARG 49 N 0.00 4.07 -0.07 -0.67 1.81 0.11 -5.08 118.95 119.12 2jma s ARG 49 Ca 0.00 -0.10 0.01 0.00 -1.72 0.00 0.00 55.73 53.93 2jma s ARG 49 Cb 0.00 -3.38 -0.03 0.00 -0.45 0.00 0.00 34.95 31.10 2jma s ARG 49 CO 0.00 0.38 -0.09 -0.65 -0.68 0.00 0.00 175.30 174.26 2jma s GLN 50 N 0.10 2.73 0.00 3.54 -0.21 -1.26 -0.37 119.66 124.19 2jma s GLN 50 Ca 0.12 -0.60 0.00 0.00 0.02 0.00 0.00 55.36 54.90 2jma s GLN 50 Cb -0.12 -2.54 0.00 0.00 1.00 0.00 0.00 33.01 31.35 2jma s GLN 50 CO 0.01 0.62 0.00 0.41 -2.12 0.00 0.00 175.29 174.21 2jma n GLY 51 N 2.35 -1.55 3.91 3.09 0.00 -0.51 -4.69 105.19 107.79 2jma n GLY 51 Ca -0.18 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 2jma n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jma s PHE 52 N -2.43 3.50 0.06 1.61 0.40 1.00 0.03 117.98 122.15 2jma s PHE 52 Ca 0.00 0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 56.70 2jma s PHE 52 Cb 0.00 -1.88 -0.03 0.00 0.51 0.00 0.00 43.02 41.62 2jma s PHE 52 CO 0.00 0.52 0.03 0.14 0.70 0.00 0.00 175.22 176.62 2jma s VAL 53 N -1.56 0.19 0.15 -0.44 -7.23 0.15 -2.46 120.40 109.21 2jma s VAL 53 Ca 0.37 -1.57 -0.31 0.00 -1.81 0.00 0.00 61.98 58.66 2jma s VAL 53 Cb -0.13 -1.38 -0.11 0.00 0.56 0.00 0.00 36.38 35.32 2jma s VAL 53 CO 0.26 -0.87 1.77 -2.84 -0.31 0.00 0.00 175.10 173.11 2jma s PRO 54 N -3.72 4.14 0.60 4.82 0.02 -1.26 -0.09 135.00 139.51 2jma s PRO 54 Ca 0.05 2.57 0.37 0.00 0.02 0.00 0.00 61.00 64.01 2jma s PRO 54 Cb 0.06 -3.41 1.86 0.00 0.02 0.00 0.00 34.50 33.03 2jma s PRO 54 CO -0.10 -0.80 2.18 0.00 -0.33 0.00 0.00 177.00 177.96 2jma h ALA 55 N 7.93 1.07 -0.00 -1.55 0.00 -1.10 0.52 119.26 126.13 2jma h ALA 55 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2jma h ALA 55 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jma h ALA 55 CO 0.95 0.03 -0.01 0.00 0.00 0.00 0.00 179.25 180.22 2jma n ALA 56 N -2.13 2.66 0.14 0.00 0.00 -1.26 -2.99 120.51 116.93 2jma n ALA 56 Ca -0.02 -0.24 0.05 0.00 0.00 0.00 0.00 53.44 53.23 2jma n ALA 56 Cb 0.19 -1.45 0.08 0.00 0.00 0.00 0.00 19.45 18.26 2jma n ALA 56 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jma n TYR 57 N -0.83 0.18 -3.95 0.00 4.02 0.17 -4.94 117.16 111.81 2jma n TYR 57 Ca 0.22 -0.23 -0.10 0.00 -0.01 0.00 0.00 57.90 57.78 2jma n TYR 57 Cb 0.17 -0.01 -0.12 0.00 -0.02 0.00 0.00 39.34 39.36 2jma n TYR 57 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2jma s VAL 58 N -0.88 0.09 -0.00 -0.72 1.01 -1.16 -0.84 120.40 117.89 2jma s VAL 58 Ca 0.15 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.43 2jma s VAL 58 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.25 2jma s VAL 58 CO 0.12 -0.40 -0.07 -0.75 0.00 0.00 0.00 175.10 174.01 2jma s LYS 59 N -1.16 0.55 0.18 2.72 2.20 -0.58 -4.90 119.74 118.75 2jma s LYS 59 Ca -0.13 -0.26 -0.33 0.00 -0.36 0.00 0.00 55.97 54.90 2jma s LYS 59 Cb -0.08 -0.52 -0.12 0.00 -1.51 0.00 0.00 37.83 35.59 2jma s LYS 59 CO -0.01 0.14 1.69 1.63 -0.36 0.00 0.00 175.35 178.45 2jma n LYS 60 N 2.86 2.58 0.06 4.03 4.01 -1.26 -0.44 118.16 130.00 2jma n LYS 60 Ca -0.13 0.93 0.12 0.00 -0.51 0.00 0.00 58.31 58.71 2jma n LYS 60 Cb 0.58 -2.76 0.04 0.00 -0.51 0.00 0.00 35.03 32.38 2jma n LYS 60 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2jma n LEU 61 N 4.00 0.67 -0.31 -0.35 4.77 -0.48 -4.84 117.00 120.46 2jma n LEU 61 Ca 0.17 0.16 0.04 0.00 -0.03 0.00 0.00 56.01 56.35 2jma n LEU 61 Cb 0.33 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.35 2jma n LEU 61 CO 0.64 -0.06 0.37 -0.67 -1.33 0.00 0.00 177.39 176.34