#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jma s ASP 2 N 0.00 0.49 -0.44 6.12 2.15 -1.26 -4.98 116.67 118.75 2jma s ASP 2 Ca 0.00 -1.11 0.09 0.00 0.43 0.00 0.00 52.55 51.96 2jma s ASP 2 Cb 0.00 0.95 0.32 0.00 -0.30 0.00 0.00 42.92 43.89 2jma s ASP 2 CO 0.00 -0.27 0.73 1.21 -0.17 0.00 0.00 175.17 176.67 2jma n GLU 3 N 4.58 1.48 -2.47 4.34 4.07 -1.26 -4.90 120.64 126.48 2jma n GLU 3 Ca 0.08 -3.74 -0.18 0.00 -0.06 0.00 0.00 57.16 53.27 2jma n GLU 3 Cb 0.48 -1.74 -0.01 0.00 -0.06 0.00 0.00 31.44 30.11 2jma n GLU 3 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2jma n THR 4 N 0.48 -0.90 -1.16 6.31 -2.24 -1.26 -4.87 114.28 110.64 2jma n THR 4 Ca 0.26 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.75 2jma n THR 4 Cb 0.56 -2.53 0.09 0.00 -2.10 0.00 0.00 70.33 66.34 2jma n THR 4 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jma n GLY 5 N -0.97 5.16 0.00 3.38 0.00 -1.26 -4.89 105.19 106.61 2jma n GLY 5 Ca -0.20 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.65 2.33 -1.68 1.61 4.01 -1.26 -5.07 118.16 117.44 2jma n LYS 6 Ca 0.54 0.00 -0.51 0.00 -0.51 0.00 0.00 58.31 57.83 2jma n LYS 6 Cb 0.81 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 35.28 2jma n LYS 6 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 2jma n GLU 7 N 0.00 1.90 -4.27 1.97 4.07 -1.26 -4.89 120.64 118.16 2jma n GLU 7 Ca 0.00 0.69 -0.26 0.00 -0.06 0.00 0.00 57.16 57.53 2jma n GLU 7 Cb 0.00 -2.52 -0.09 0.00 -0.06 0.00 0.00 31.44 28.78 2jma n GLU 7 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2jma s LEU 8 N 4.14 3.10 0.13 4.31 1.43 -1.26 0.58 118.68 131.10 2jma s LEU 8 Ca 0.95 -0.54 -0.01 0.00 -1.03 0.00 0.00 54.13 53.51 2jma s LEU 8 Cb -0.78 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 2jma s LEU 8 CO 0.55 0.08 0.04 0.68 0.23 0.00 0.00 176.35 177.93 2jma s VAL 9 N -1.81 0.20 -0.10 -1.59 -7.23 0.96 -1.95 120.40 108.88 2jma s VAL 9 Ca 0.27 -1.91 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 2jma s VAL 9 Cb -0.09 -1.99 -0.02 0.00 0.56 0.00 0.00 36.38 34.85 2jma s VAL 9 CO 0.17 -0.54 -0.13 -0.22 -0.31 0.00 0.00 175.10 174.07 2jma s LEU 10 N -3.05 2.74 -0.40 1.32 2.96 0.10 -0.55 118.68 121.81 2jma s LEU 10 Ca 0.22 -0.27 -0.25 0.00 -0.22 0.00 0.00 54.13 53.61 2jma s LEU 10 Cb 0.07 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 45.19 2jma s LEU 10 CO 0.01 0.24 0.91 0.00 -1.32 0.00 0.00 176.35 176.19 2jma s ALA 11 N -0.08 3.35 0.10 5.97 0.00 -0.36 -0.72 121.76 130.02 2jma s ALA 11 Ca -0.02 -0.58 -0.08 0.00 0.00 0.00 0.00 51.96 51.28 2jma s ALA 11 Cb -0.14 -3.56 -0.16 0.00 0.00 0.00 0.00 23.12 19.27 2jma s ALA 11 CO 0.04 -1.75 1.25 -0.07 0.00 0.00 0.00 175.76 175.23 2jma h LEU 12 N 10.21 0.69 -8.81 0.00 4.07 -0.97 -0.24 115.31 120.26 2jma h LEU 12 Ca -0.24 -0.56 -0.35 0.00 0.08 0.00 0.00 57.88 56.82 2jma h LEU 12 Cb 1.08 -0.21 -0.14 0.00 1.08 0.00 0.00 40.66 42.46 2jma h LEU 12 CO 0.99 1.36 -0.65 -0.31 -1.08 0.00 0.00 178.44 178.75 2jma s TYR 13 N -3.27 1.44 -0.04 1.13 2.02 -1.25 -4.75 117.35 112.64 2jma s TYR 13 Ca -0.07 -0.98 -0.28 0.00 -0.37 0.00 0.00 57.07 55.36 2jma s TYR 13 Cb 0.08 -0.83 -0.03 0.00 -0.40 0.00 0.00 41.96 40.78 2jma s TYR 13 CO 0.89 -0.13 0.92 0.34 -1.57 0.00 0.00 175.55 176.00 2jma s ASP 14 N -3.26 7.25 0.02 2.29 -1.08 -1.26 -3.72 116.67 116.90 2jma s ASP 14 Ca 0.28 1.51 0.05 0.00 -0.52 0.00 0.00 52.55 53.87 2jma s ASP 14 Cb 0.06 -2.53 -0.02 0.00 -1.46 0.00 0.00 42.92 38.97 2jma s ASP 14 CO 0.08 -0.27 -0.14 -0.47 0.52 0.00 0.00 175.17 174.89 2jma s TYR 15 N 1.21 1.20 -0.08 -5.34 5.04 -0.55 -4.96 117.35 113.86 2jma s TYR 15 Ca 0.48 -0.31 0.05 0.00 -2.44 0.00 0.00 57.07 54.84 2jma s TYR 15 Cb -0.20 -0.73 -0.00 0.00 0.35 0.00 0.00 41.96 41.38 2jma s TYR 15 CO 0.23 0.02 -0.24 -1.14 -1.34 0.00 0.00 175.55 173.08 2jma s GLN 16 N -0.87 2.85 0.36 4.97 2.00 -1.26 -1.85 119.66 125.86 2jma s GLN 16 Ca 0.03 -0.89 -0.28 0.00 -2.00 0.00 0.00 55.36 52.22 2jma s GLN 16 Cb -0.07 -2.24 -0.12 0.00 0.80 0.00 0.00 33.01 31.38 2jma s GLN 16 CO 0.01 0.26 1.34 -0.85 -0.50 0.00 0.00 175.29 175.55 2jma n GLU 17 N 3.30 2.26 -0.07 1.67 0.28 -1.25 -4.92 120.64 121.90 2jma n GLU 17 Ca -0.18 0.79 -0.09 0.00 -0.16 0.00 0.00 57.16 57.52 2jma n GLU 17 Cb 0.53 -2.42 -0.06 0.00 1.43 0.00 0.00 31.44 30.91 2jma n GLU 17 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2jma n LYS 18 N 0.47 0.41 -4.17 3.44 5.02 -1.26 -4.99 118.16 117.08 2jma n LYS 18 Ca 0.04 0.08 -0.24 0.00 -2.02 0.00 0.00 58.31 56.16 2jma n LYS 18 Cb 0.37 -1.27 -0.07 0.00 -0.02 0.00 0.00 35.03 34.03 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 -5.28 4.44 0.00 4.39 1.04 -1.26 -5.00 113.70 112.03 2jma s SER 19 Ca -0.18 -0.96 0.05 0.00 0.48 0.00 0.00 55.95 55.34 2jma s SER 19 Cb 0.05 -0.57 0.23 0.00 0.10 0.00 0.00 66.02 65.82 2jma s SER 19 CO 0.32 -0.38 1.07 -2.65 0.98 0.00 0.00 173.24 172.57 2jma n PRO 20 N -1.13 0.04 -0.36 4.02 -0.02 -1.26 -1.07 135.00 135.21 2jma n PRO 20 Ca -0.02 0.32 0.09 0.00 -2.02 0.00 0.00 63.50 61.87 2jma n PRO 20 Cb 0.63 -1.50 0.27 0.00 -0.02 0.00 0.00 33.50 32.88 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 -1.38 2.47 -2.57 3.55 0.00 -1.26 -4.96 120.51 116.36 2jma n ALA 21 Ca 0.02 -1.36 -0.25 0.00 0.00 0.00 0.00 53.44 51.85 2jma n ALA 21 Cb 0.05 -0.77 -0.09 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.24 2.06 0.12 0.00 2.02 -0.23 -0.36 118.70 121.06 2jma s GLU 22 Ca 0.41 -1.39 0.06 0.00 0.02 0.00 0.00 54.97 54.07 2jma s GLU 22 Cb 0.23 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 32.33 2jma s GLU 22 CO 0.25 0.40 -0.15 0.14 0.02 0.00 0.00 175.26 175.92 2jma s VAL 23 N -2.00 1.35 -0.13 2.63 -7.23 -1.01 -4.67 120.40 109.34 2jma s VAL 23 Ca 0.27 -1.66 -0.13 0.00 -1.81 0.00 0.00 61.98 58.65 2jma s VAL 23 Cb -0.07 -1.49 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 2jma s VAL 23 CO 0.16 -0.36 0.30 -0.89 -0.31 0.00 0.00 175.10 174.00 2jma s THR 24 N -1.96 5.28 0.11 5.32 2.01 -1.26 -3.86 115.64 121.27 2jma s THR 24 Ca 0.08 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.65 2jma s THR 24 Cb -0.06 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2jma s THR 24 CO 0.03 0.44 -0.01 0.00 -0.69 0.00 0.00 174.62 174.39 2jma s MET 25 N 0.09 0.86 0.16 4.92 0.23 -0.77 -4.97 119.30 119.83 2jma s MET 25 Ca 0.18 -1.38 0.10 0.00 -1.03 0.00 0.00 55.69 53.56 2jma s MET 25 Cb -0.13 0.01 -0.04 0.00 -1.53 0.00 0.00 34.83 33.14 2jma s MET 25 CO 0.06 -0.13 -0.22 0.15 -2.03 0.00 0.00 175.02 172.84 2jma s LYS 26 N -3.93 1.37 0.18 3.16 3.01 -1.26 -1.49 119.74 120.78 2jma s LYS 26 Ca 0.17 -1.41 -0.32 0.00 -1.01 0.00 0.00 55.97 53.40 2jma s LYS 26 Cb 0.07 -1.64 -0.11 0.00 -1.01 0.00 0.00 37.83 35.14 2jma s LYS 26 CO -0.02 0.36 1.61 0.21 0.51 0.00 0.00 175.35 178.02 2jma s LYS 27 N -2.49 4.19 0.00 1.68 2.47 -1.24 -2.17 119.74 122.17 2jma s LYS 27 Ca 0.16 2.43 0.00 0.00 -1.56 0.00 0.00 55.97 57.01 2jma s LYS 27 Cb -0.08 -3.13 0.00 0.00 -1.46 0.00 0.00 37.83 33.16 2jma s LYS 27 CO 0.08 -0.65 0.00 0.41 0.16 0.00 0.00 175.35 175.35 2jma n GLY 28 N 3.76 0.42 3.89 5.54 0.00 -0.10 -4.99 105.19 113.71 2jma n GLY 28 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.80 6.56 -0.41 1.61 -1.08 -0.92 -4.89 116.67 114.74 2jma s ASP 29 Ca 0.00 0.80 -0.14 0.00 -0.52 0.00 0.00 52.55 52.69 2jma s ASP 29 Cb 0.00 -2.18 0.03 0.00 -1.46 0.00 0.00 42.92 39.31 2jma s ASP 29 CO 0.00 -0.06 0.29 -0.63 0.52 0.00 0.00 175.17 175.29 2jma s ILE 30 N -1.82 5.11 0.26 4.11 1.09 -1.26 -1.23 121.20 127.46 2jma s ILE 30 Ca 0.45 -0.75 -0.06 0.00 -1.10 0.00 0.00 60.65 59.19 2jma s ILE 30 Cb -0.11 -3.87 -0.06 0.00 -1.06 0.00 0.00 42.46 37.36 2jma s ILE 30 CO 0.24 -0.33 0.53 -0.76 -0.10 0.00 0.00 174.94 174.52 2jma s LEU 31 N 1.65 4.10 -0.21 2.97 2.01 0.29 -4.90 118.68 124.59 2jma s LEU 31 Ca 0.04 0.75 -0.07 0.00 0.01 0.00 0.00 54.13 54.86 2jma s LEU 31 Cb -0.20 -3.54 -0.04 0.00 0.01 0.00 0.00 46.19 42.43 2jma s LEU 31 CO 0.09 -0.14 0.06 -0.89 1.01 0.00 0.00 176.35 176.47 2jma s THR 32 N -1.98 4.54 -0.05 5.49 2.01 -0.99 -0.03 115.64 124.62 2jma s THR 32 Ca 0.44 -0.11 -0.30 0.00 0.31 0.00 0.00 61.69 62.03 2jma s THR 32 Cb -0.11 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 2jma s THR 32 CO 0.27 0.41 1.04 -0.76 -0.69 0.00 0.00 174.62 174.90 2jma s LEU 33 N 0.85 4.30 -0.14 4.42 1.43 0.20 -0.35 118.68 129.38 2jma s LEU 33 Ca 0.03 1.65 0.01 0.00 -1.03 0.00 0.00 54.13 54.79 2jma s LEU 33 Cb -0.14 -3.56 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 2jma s LEU 33 CO 0.02 -0.40 -0.12 0.18 0.23 0.00 0.00 176.35 176.26 2jma n LEU 34 N 4.58 2.93 -3.58 1.79 4.77 0.93 -4.52 117.00 123.90 2jma n LEU 34 Ca 0.08 -0.07 -0.05 0.00 -0.03 0.00 0.00 56.01 55.94 2jma n LEU 34 Cb 0.49 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 2jma n LEU 34 CO 0.53 0.72 0.10 0.21 -1.33 0.00 0.00 177.39 177.62 2jma s ASN 35 N -5.30 -0.58 -0.24 -1.43 3.84 -0.77 -4.99 114.94 105.47 2jma s ASN 35 Ca -0.18 1.09 0.11 0.00 0.21 0.00 0.00 52.86 54.09 2jma s ASN 35 Cb 0.05 1.70 0.44 0.00 -0.55 0.00 0.00 41.25 42.89 2jma s ASN 35 CO 0.32 -0.24 1.20 -1.54 -2.79 0.00 0.00 177.10 174.05 2jma n SER 36 N 5.41 3.19 0.06 -4.21 3.41 -1.26 -0.42 113.62 119.80 2jma n SER 36 Ca -0.08 -3.62 0.11 0.00 -0.26 0.00 0.00 58.87 55.01 2jma n SER 36 Cb 0.49 -0.42 0.44 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.81 0.70 -4.03 6.66 5.66 -1.26 -4.67 114.28 116.53 2jma n THR 37 Ca 0.29 0.11 -0.31 0.00 -3.05 0.00 0.00 64.05 61.10 2jma n THR 37 Cb 0.85 -0.89 -0.06 0.00 -1.55 0.00 0.00 70.33 68.68 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 -3.61 5.74 -0.00 1.09 3.84 -1.26 -5.02 114.94 115.72 2jma s ASN 38 Ca 0.08 0.09 0.21 0.00 0.21 0.00 0.00 52.86 53.45 2jma s ASN 38 Cb 0.12 -1.62 -0.16 0.00 -0.55 0.00 0.00 41.25 39.04 2jma s ASN 38 CO 0.40 0.19 0.95 2.29 -2.79 0.00 0.00 177.10 178.15 2jma n LYS 39 N 0.59 0.01 -0.07 0.43 -0.00 -1.26 -4.39 118.16 113.46 2jma n LYS 39 Ca -0.09 -0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.15 2jma n LYS 39 Cb 0.52 -1.50 -0.10 0.00 -0.00 0.00 0.00 35.03 33.94 2jma n LYS 39 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2jma n ASP 40 N -1.51 1.73 -4.03 -5.58 8.00 -1.26 -4.68 116.55 109.23 2jma n ASP 40 Ca 0.04 -0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.31 2jma n ASP 40 Cb 0.33 0.81 -0.16 0.00 -0.02 0.00 0.00 41.12 42.08 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 -2.32 1.31 -0.08 1.24 0.52 -1.26 -0.41 118.94 117.93 2jma s TRP 41 Ca -0.07 -0.42 0.04 0.00 0.02 0.00 0.00 56.10 55.67 2jma s TRP 41 Cb 0.04 -0.95 -0.01 0.00 -1.15 0.00 0.00 33.47 31.40 2jma s TRP 41 CO 0.54 -0.20 -0.23 -1.58 0.02 0.00 0.00 176.95 175.50 2jma s TRP 42 N 0.46 2.54 -0.35 -1.98 0.52 0.61 -4.18 118.94 116.55 2jma s TRP 42 Ca -0.10 -0.85 -0.28 0.00 0.02 0.00 0.00 56.10 54.90 2jma s TRP 42 Cb -0.13 -1.67 0.02 0.00 -1.15 0.00 0.00 33.47 30.53 2jma s TRP 42 CO 0.02 -0.30 1.01 0.21 0.02 0.00 0.00 176.95 177.92 2jma s LYS 43 N 0.09 3.95 0.37 4.98 2.20 0.44 -1.22 119.74 130.56 2jma s LYS 43 Ca -0.11 0.82 0.04 0.00 -0.36 0.00 0.00 55.97 56.36 2jma s LYS 43 Cb -0.16 -3.78 -0.05 0.00 -1.51 0.00 0.00 37.83 32.34 2jma s LYS 43 CO 0.06 -0.95 0.06 0.14 -0.36 0.00 0.00 175.35 174.30 2jma s VAL 44 N 3.63 1.14 -0.09 4.02 -7.23 0.12 -0.05 120.40 121.94 2jma s VAL 44 Ca 0.42 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.63 2jma s VAL 44 Cb -0.12 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.18 2jma s VAL 44 CO 0.18 0.00 -0.20 -0.70 -0.31 0.00 0.00 175.10 174.07 2jma s GLU 45 N -3.83 2.62 -0.21 4.82 2.12 0.52 -1.03 118.70 123.72 2jma s GLU 45 Ca 0.30 -0.73 -0.02 0.00 0.36 0.00 0.00 54.97 54.89 2jma s GLU 45 Cb 0.07 -2.02 0.06 0.00 0.26 0.00 0.00 34.13 32.50 2jma s GLU 45 CO 0.14 0.12 0.01 0.14 -0.54 0.00 0.00 175.26 175.14 2jma s VAL 46 N 0.46 0.82 0.00 3.70 -7.23 0.77 -2.35 120.40 116.58 2jma s VAL 46 Ca -0.17 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.25 2jma s VAL 46 Cb -0.17 -1.26 0.00 0.00 0.56 0.00 0.00 36.38 35.51 2jma s VAL 46 CO 0.07 -0.18 0.00 -0.46 -0.31 0.00 0.00 175.10 174.22 2jma n ASN 47 N 4.94 -4.42 0.00 4.85 0.23 -1.26 -0.99 115.26 118.61 2jma n ASN 47 Ca -0.10 0.33 0.00 0.00 -0.53 0.00 0.00 54.58 54.28 2jma n ASN 47 Cb 0.46 -1.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.14 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 1.48 0.00 -4.90 0.53 2.03 -1.26 -4.93 116.55 109.51 2jma n ASP 48 Ca 0.00 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.97 2jma n ASP 48 Cb 0.27 -1.41 -0.05 0.00 -0.72 0.00 0.00 41.12 39.21 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 -0.11 3.50 -0.06 -0.67 1.81 -0.16 -5.09 118.95 118.16 2jma s ARG 49 Ca 0.00 -0.21 0.01 0.00 -1.72 0.00 0.00 55.73 53.80 2jma s ARG 49 Cb 0.00 -3.09 0.02 0.00 -0.45 0.00 0.00 34.95 31.44 2jma s ARG 49 CO 0.00 0.66 -0.06 -0.65 -0.68 0.00 0.00 175.30 174.58 2jma s GLN 50 N -1.86 1.06 0.01 3.54 -0.21 -1.26 -0.16 119.66 120.77 2jma s GLN 50 Ca 0.27 -0.15 -0.06 0.00 0.02 0.00 0.00 55.36 55.44 2jma s GLN 50 Cb -0.13 -1.07 0.02 0.00 1.00 0.00 0.00 33.01 32.83 2jma s GLN 50 CO 0.17 -0.12 0.29 0.41 -2.12 0.00 0.00 175.29 173.92 2jma n GLY 51 N 4.31 0.68 3.91 3.09 0.00 -0.20 -4.86 105.19 112.13 2jma n GLY 51 Ca -0.20 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 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 -3.37 3.54 0.05 1.61 0.40 0.51 0.13 117.98 120.84 2jma s PHE 52 Ca 0.07 0.36 -0.03 0.00 -0.60 0.00 0.00 56.93 56.72 2jma s PHE 52 Cb -0.00 -1.83 -0.02 0.00 0.51 0.00 0.00 43.02 41.67 2jma s PHE 52 CO 0.00 0.61 0.03 0.14 0.70 0.00 0.00 175.22 176.71 2jma s VAL 53 N -1.40 0.17 0.14 -0.44 -7.23 -0.35 -2.39 120.40 108.89 2jma s VAL 53 Ca 0.31 -1.39 -0.31 0.00 -1.81 0.00 0.00 61.98 58.78 2jma s VAL 53 Cb -0.13 -1.12 -0.11 0.00 0.56 0.00 0.00 36.38 35.58 2jma s VAL 53 CO 0.22 -0.77 1.83 -2.84 -0.31 0.00 0.00 175.10 173.23 2jma s PRO 54 N -3.15 4.13 0.48 4.82 0.02 -1.26 -0.28 135.00 139.75 2jma s PRO 54 Ca -0.00 2.62 0.14 0.00 0.02 0.00 0.00 61.00 63.78 2jma s PRO 54 Cb 0.02 -3.53 1.13 0.00 0.02 0.00 0.00 34.50 32.14 2jma s PRO 54 CO -0.07 -0.84 2.08 0.00 -0.33 0.00 0.00 177.00 177.84 2jma h ALA 55 N 8.38 1.85 0.00 -1.55 0.00 -1.01 0.22 119.26 127.16 2jma h ALA 55 Ca -0.46 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2jma h ALA 55 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2jma h ALA 55 CO 0.95 0.11 0.00 0.00 0.00 0.00 0.00 179.25 180.31 2jma n ALA 56 N -2.52 2.07 0.32 0.00 0.00 -1.26 -1.80 120.51 117.31 2jma n ALA 56 Ca -0.02 -0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.40 2jma n ALA 56 Cb 0.15 -1.30 0.12 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.18 0.24 -4.17 0.00 4.02 0.07 -4.94 117.16 111.20 2jma n TYR 57 Ca 0.11 -0.19 -0.16 0.00 -0.01 0.00 0.00 57.90 57.66 2jma n TYR 57 Cb 0.12 -0.01 -0.13 0.00 -0.02 0.00 0.00 39.34 39.30 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 -1.19 0.58 -0.04 -0.72 1.01 -0.75 -0.28 120.40 119.00 2jma s VAL 58 Ca 0.24 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.62 2jma s VAL 58 Cb 0.15 -0.55 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 2jma s VAL 58 CO 0.21 -0.07 -0.21 -0.75 0.00 0.00 0.00 175.10 174.28 2jma s LYS 59 N -0.80 2.03 0.26 2.72 2.20 0.10 -4.91 119.74 121.35 2jma s LYS 59 Ca -0.02 -0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 54.55 2jma s LYS 59 Cb -0.06 -1.78 -0.10 0.00 -1.51 0.00 0.00 37.83 34.37 2jma s LYS 59 CO 0.00 0.34 1.45 0.15 -0.36 0.00 0.00 175.35 176.93 2jma s LYS 60 N -0.15 4.25 -0.03 4.03 -0.14 -1.26 0.02 119.74 126.46 2jma s LYS 60 Ca -0.01 2.34 0.15 0.00 -1.36 0.00 0.00 55.97 57.08 2jma s LYS 60 Cb -0.12 -3.09 -0.20 0.00 -1.68 0.00 0.00 37.83 32.74 2jma s LYS 60 CO 0.02 -0.43 0.65 1.28 -0.76 0.00 0.00 175.35 176.10 2jma n LEU 61 N 2.16 0.76 -0.50 3.17 4.77 -0.82 -4.84 117.00 121.69 2jma n LEU 61 Ca 0.06 0.35 0.06 0.00 -0.03 0.00 0.00 56.01 56.46 2jma n LEU 61 Cb 0.40 0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.71 2jma n LEU 61 CO 0.61 0.31 0.45 -0.67 -1.33 0.00 0.00 177.39 176.76