#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 1.63 -0.34 7.83 2.15 -1.26 -5.06 116.67 121.62 2jma s ASP 2 Ca 0.00 -1.50 0.06 0.00 0.43 0.00 0.00 52.55 51.54 2jma s ASP 2 Cb 0.00 0.29 0.45 0.00 -0.30 0.00 0.00 42.92 43.36 2jma s ASP 2 CO 0.00 -0.82 1.21 1.21 -0.17 0.00 0.00 175.17 176.60 2jma n GLU 3 N -0.59 3.54 -3.72 4.34 2.13 -1.26 -4.92 120.64 120.17 2jma n GLU 3 Ca -0.00 -4.22 -0.23 0.00 0.66 0.00 0.00 57.16 53.37 2jma n GLU 3 Cb 0.65 -2.27 0.04 0.00 0.27 0.00 0.00 31.44 30.13 2jma n GLU 3 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2jma n THR 4 N -0.66 -3.96 -3.71 6.31 -1.04 -1.26 -4.95 114.28 105.01 2jma n THR 4 Ca 0.44 -0.35 -0.28 0.00 -2.04 0.00 0.00 64.05 61.82 2jma n THR 4 Cb 0.88 -3.69 -0.11 0.00 -1.82 0.00 0.00 70.33 65.59 2jma n THR 4 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jma n GLY 5 N -1.59 3.64 0.00 3.41 0.00 -1.26 -4.99 105.19 104.41 2jma n GLY 5 Ca -0.20 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.53 2jma n GLY 5 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2jma n LYS 6 N 2.01 0.00 -1.68 1.61 2.85 -1.26 -5.10 118.16 116.58 2jma n LYS 6 Ca 0.23 0.00 -0.48 0.00 -1.05 0.00 0.00 58.31 57.02 2jma n LYS 6 Cb 0.39 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.73 2jma n LYS 6 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2jma n GLU 7 N 0.00 2.12 -4.39 -1.58 0.00 -1.26 -4.89 120.64 110.63 2jma n GLU 7 Ca 0.00 0.77 -0.22 0.00 0.00 0.00 0.00 57.16 57.72 2jma n GLU 7 Cb 0.00 -2.58 -0.10 0.00 0.00 0.00 0.00 31.44 28.76 2jma n GLU 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2jma s LEU 8 N 2.85 2.54 0.06 4.31 1.43 -1.26 0.44 118.68 129.04 2jma s LEU 8 Ca 0.88 -0.99 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 2jma s LEU 8 Cb -0.70 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 2jma s LEU 8 CO 0.47 -0.05 0.05 0.68 0.23 0.00 0.00 176.35 177.72 2jma s VAL 9 N -2.57 0.18 -0.12 -1.59 -7.23 -0.23 -2.43 120.40 106.41 2jma s VAL 9 Ca 0.24 -1.48 -0.02 0.00 -1.81 0.00 0.00 61.98 58.92 2jma s VAL 9 Cb -0.04 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.59 2jma s VAL 9 CO 0.10 -0.82 -0.06 -0.22 -0.31 0.00 0.00 175.10 173.79 2jma s LEU 10 N -2.68 3.14 -0.51 1.32 2.96 0.24 -1.07 118.68 122.07 2jma s LEU 10 Ca 0.03 -0.12 -0.27 0.00 -0.22 0.00 0.00 54.13 53.54 2jma s LEU 10 Cb 0.05 -1.72 0.03 0.00 0.50 0.00 0.00 46.19 45.04 2jma s LEU 10 CO -0.09 0.23 1.09 0.00 -1.32 0.00 0.00 176.35 176.27 2jma s ALA 11 N -0.04 3.12 0.22 5.97 0.00 -0.70 -1.59 121.76 128.74 2jma s ALA 11 Ca 0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 51.96 51.23 2jma s ALA 11 Cb -0.13 -3.87 0.22 0.00 0.00 0.00 0.00 23.12 19.34 2jma s ALA 11 CO 0.03 -2.35 1.58 -0.07 0.00 0.00 0.00 175.76 174.95 2jma h LEU 12 N 11.27 0.53 -8.62 0.00 4.07 -1.03 -2.46 115.31 119.07 2jma h LEU 12 Ca -0.24 -0.25 -0.26 0.00 0.08 0.00 0.00 57.88 57.20 2jma h LEU 12 Cb 1.06 -0.15 -0.14 0.00 1.08 0.00 0.00 40.66 42.51 2jma h LEU 12 CO 1.12 0.91 -0.57 -0.31 -1.08 0.00 0.00 178.44 178.52 2jma s TYR 13 N -4.12 1.20 0.28 1.13 2.02 -1.25 -4.82 117.35 111.80 2jma s TYR 13 Ca -0.07 -1.39 -0.25 0.00 -0.37 0.00 0.00 57.07 55.00 2jma s TYR 13 Cb 0.12 -0.53 -0.09 0.00 -0.40 0.00 0.00 41.96 41.05 2jma s TYR 13 CO 0.82 -0.70 0.89 0.16 -1.57 0.00 0.00 175.55 175.14 2jma s ASP 14 N -3.18 7.31 -0.05 2.29 -4.77 -1.26 -3.78 116.67 113.23 2jma s ASP 14 Ca 0.38 1.74 -0.08 0.00 -3.30 0.00 0.00 52.55 51.30 2jma s ASP 14 Cb 0.06 -2.54 0.01 0.00 -1.09 0.00 0.00 42.92 39.36 2jma s ASP 14 CO 0.14 -0.01 0.19 -0.47 0.70 0.00 0.00 175.17 175.73 2jma s TYR 15 N -1.53 -0.15 -0.04 2.11 5.04 -0.41 -4.96 117.35 117.42 2jma s TYR 15 Ca 0.47 0.34 0.06 0.00 -2.44 0.00 0.00 57.07 55.50 2jma s TYR 15 Cb -0.19 0.04 -0.02 0.00 0.35 0.00 0.00 41.96 42.14 2jma s TYR 15 CO 0.24 -0.17 -0.23 -1.14 -1.34 0.00 0.00 175.55 172.91 2jma s GLN 16 N -0.39 2.37 0.60 4.97 2.00 -1.26 -1.32 119.66 126.63 2jma s GLN 16 Ca -0.05 -0.86 -0.19 0.00 -2.00 0.00 0.00 55.36 52.26 2jma s GLN 16 Cb -0.03 -2.17 -0.03 0.00 0.80 0.00 0.00 33.01 31.58 2jma s GLN 16 CO 0.01 0.51 1.25 -1.83 -0.50 0.00 0.00 175.29 174.73 2jma s GLU 17 N -0.47 2.87 -0.15 1.67 -1.05 -1.26 -4.90 118.70 115.42 2jma s GLU 17 Ca 0.06 1.95 -0.04 0.00 -0.15 0.00 0.00 54.97 56.79 2jma s GLU 17 Cb -0.11 -1.95 -0.08 0.00 -0.44 0.00 0.00 34.13 31.55 2jma s GLU 17 CO 0.01 -1.32 -0.16 1.63 0.95 0.00 0.00 175.26 176.37 2jma n LYS 18 N -1.61 0.33 -4.54 -4.83 5.02 -1.26 -4.99 118.16 106.28 2jma n LYS 18 Ca 0.14 0.11 -0.25 0.00 -2.02 0.00 0.00 58.31 56.29 2jma n LYS 18 Cb 0.49 -1.14 -0.10 0.00 -0.02 0.00 0.00 35.03 34.25 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 -5.91 3.06 0.33 4.39 1.04 -1.26 -5.01 113.70 110.33 2jma s SER 19 Ca -0.20 -1.42 0.19 0.00 0.48 0.00 0.00 55.95 55.00 2jma s SER 19 Cb 0.07 -0.09 1.06 0.00 0.10 0.00 0.00 66.02 67.15 2jma s SER 19 CO 0.29 -0.60 1.56 -2.65 0.98 0.00 0.00 173.24 172.82 2jma n PRO 20 N -0.85 0.13 0.11 4.02 -0.02 -1.26 -0.79 135.00 136.34 2jma n PRO 20 Ca -0.05 0.62 0.12 0.00 -2.02 0.00 0.00 63.50 62.17 2jma n PRO 20 Cb 0.67 -2.02 0.18 0.00 -0.02 0.00 0.00 33.50 32.30 2jma n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jma h ALA 21 N 1.73 0.72 -2.55 3.55 0.00 -1.95 -3.46 119.26 117.30 2jma h ALA 21 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 2jma h ALA 21 Cb 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2jma h ALA 21 CO 0.00 0.00 -0.48 -1.21 0.00 0.00 0.00 179.25 177.56 2jma s GLU 22 N -3.21 3.37 0.12 0.00 8.01 0.03 0.10 118.70 127.12 2jma s GLU 22 Ca 0.06 -0.65 0.08 0.00 0.01 0.00 0.00 54.97 54.47 2jma s GLU 22 Cb 0.11 -2.92 -0.04 0.00 -4.31 0.00 0.00 34.13 26.97 2jma s GLU 22 CO 0.70 0.51 -0.19 0.14 0.01 0.00 0.00 175.26 176.43 2jma s VAL 23 N -1.76 1.68 0.03 2.63 -7.23 -0.91 -4.66 120.40 110.18 2jma s VAL 23 Ca 0.34 -1.63 -0.22 0.00 -1.81 0.00 0.00 61.98 58.66 2jma s VAL 23 Cb -0.11 -1.59 -0.06 0.00 0.56 0.00 0.00 36.38 35.18 2jma s VAL 23 CO 0.28 -0.15 0.65 -0.89 -0.31 0.00 0.00 175.10 174.68 2jma s THR 24 N -1.43 4.81 0.09 5.32 2.01 -1.26 -4.06 115.64 121.12 2jma s THR 24 Ca 0.08 1.38 0.01 0.00 0.31 0.00 0.00 61.69 63.47 2jma s THR 24 Cb -0.09 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 2jma s THR 24 CO 0.05 0.42 -0.06 0.00 -0.69 0.00 0.00 174.62 174.34 2jma s MET 25 N -0.30 0.81 0.13 4.92 0.23 -0.44 -4.93 119.30 119.72 2jma s MET 25 Ca 0.33 -1.32 0.07 0.00 -1.03 0.00 0.00 55.69 53.74 2jma s MET 25 Cb -0.19 -0.15 -0.04 0.00 -1.53 0.00 0.00 34.83 32.92 2jma s MET 25 CO 0.20 -0.03 -0.15 0.15 -2.03 0.00 0.00 175.02 173.15 2jma s LYS 26 N -3.85 1.09 0.15 3.16 3.01 -1.26 -1.28 119.74 120.76 2jma s LYS 26 Ca 0.11 -1.28 -0.31 0.00 -1.01 0.00 0.00 55.97 53.48 2jma s LYS 26 Cb 0.06 -1.04 -0.11 0.00 -1.01 0.00 0.00 37.83 35.73 2jma s LYS 26 CO -0.05 0.21 1.79 0.21 0.51 0.00 0.00 175.35 178.02 2jma s LYS 27 N -2.67 4.14 0.00 1.68 2.47 -1.25 -1.92 119.74 122.19 2jma s LYS 27 Ca 0.11 2.59 0.00 0.00 -1.56 0.00 0.00 55.97 57.11 2jma s LYS 27 Cb -0.05 -3.45 0.00 0.00 -1.46 0.00 0.00 37.83 32.87 2jma s LYS 27 CO 0.04 -0.81 0.00 0.41 0.16 0.00 0.00 175.35 175.15 2jma n GLY 28 N 4.15 0.60 3.84 5.54 0.00 -0.93 -5.00 105.19 113.40 2jma n GLY 28 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.76 6.79 -0.33 1.61 -1.08 -0.81 -4.91 116.67 115.19 2jma s ASP 29 Ca 0.00 0.95 -0.14 0.00 -0.52 0.00 0.00 52.55 52.84 2jma s ASP 29 Cb 0.00 -2.24 -0.02 0.00 -1.46 0.00 0.00 42.92 39.19 2jma s ASP 29 CO 0.00 0.29 0.29 -0.63 0.52 0.00 0.00 175.17 175.64 2jma s ILE 30 N -1.15 5.23 0.02 4.11 1.09 -1.26 -1.73 121.20 127.51 2jma s ILE 30 Ca 0.26 0.01 -0.01 0.00 -1.10 0.00 0.00 60.65 59.80 2jma s ILE 30 Cb -0.16 -3.73 -0.04 0.00 -1.06 0.00 0.00 42.46 37.47 2jma s ILE 30 CO 0.15 0.00 0.18 -0.76 -0.10 0.00 0.00 174.94 174.41 2jma s LEU 31 N 1.88 4.29 -0.25 2.97 2.01 -0.24 -4.91 118.68 124.43 2jma s LEU 31 Ca 0.09 0.28 -0.18 0.00 0.01 0.00 0.00 54.13 54.33 2jma s LEU 31 Cb -0.17 -2.69 -0.03 0.00 0.01 0.00 0.00 46.19 43.31 2jma s LEU 31 CO 0.11 0.23 0.52 -0.89 1.01 0.00 0.00 176.35 177.32 2jma s THR 32 N -1.38 5.08 -0.20 5.49 2.01 -1.18 -1.07 115.64 124.40 2jma s THR 32 Ca 0.30 0.90 -0.29 0.00 0.31 0.00 0.00 61.69 62.90 2jma s THR 32 Cb -0.13 -3.83 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 2jma s THR 32 CO 0.22 0.11 1.21 -0.76 -0.69 0.00 0.00 174.62 174.70 2jma s LEU 33 N 2.16 4.13 -0.24 4.42 1.43 0.17 -1.69 118.68 129.06 2jma s LEU 33 Ca 0.22 1.56 -0.00 0.00 -1.03 0.00 0.00 54.13 54.87 2jma s LEU 33 Cb -0.16 -3.54 -0.15 0.00 0.03 0.00 0.00 46.19 42.38 2jma s LEU 33 CO 0.09 -0.77 -0.22 0.18 0.23 0.00 0.00 176.35 175.86 2jma n LEU 34 N 6.63 2.80 -3.67 1.79 4.77 0.73 -4.50 117.00 125.54 2jma n LEU 34 Ca 0.13 -0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.96 2jma n LEU 34 Cb 0.45 -0.81 -0.10 0.00 -2.33 0.00 0.00 43.42 40.64 2jma n LEU 34 CO 0.56 0.84 0.10 0.21 -1.33 0.00 0.00 177.39 177.76 2jma s ASN 35 N -6.41 -0.53 -0.20 -1.43 3.84 -0.88 -5.00 114.94 104.33 2jma s ASN 35 Ca -0.32 1.04 0.18 0.00 0.21 0.00 0.00 52.86 53.97 2jma s ASN 35 Cb 0.09 1.11 0.46 0.00 -0.55 0.00 0.00 41.25 42.36 2jma s ASN 35 CO 0.52 -0.21 1.16 -1.54 -2.79 0.00 0.00 177.10 174.24 2jma n SER 36 N 4.67 2.31 0.00 -4.21 3.41 -1.26 -0.39 113.62 118.15 2jma n SER 36 Ca -0.18 -2.76 0.12 0.00 -0.26 0.00 0.00 58.87 55.79 2jma n SER 36 Cb 0.54 -0.41 0.56 0.00 -0.26 0.00 0.00 64.21 64.63 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 -0.46 0.30 -3.98 6.66 5.66 -1.26 -4.74 114.28 116.45 2jma n THR 37 Ca 0.18 0.07 -0.30 0.00 -3.05 0.00 0.00 64.05 60.96 2jma n THR 37 Cb 0.90 -0.67 -0.05 0.00 -1.55 0.00 0.00 70.33 68.97 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 -2.80 6.02 0.00 1.09 3.84 -1.26 -5.02 114.94 116.81 2jma s ASN 38 Ca 0.17 0.13 0.22 0.00 0.21 0.00 0.00 52.86 53.59 2jma s ASN 38 Cb 0.16 -1.76 -0.00 0.00 -0.55 0.00 0.00 41.25 39.10 2jma s ASN 38 CO 0.41 0.14 1.07 2.29 -2.79 0.00 0.00 177.10 178.22 2jma n LYS 39 N 0.14 0.59 -0.01 0.43 2.85 -1.26 -4.42 118.16 116.47 2jma n LYS 39 Ca -0.07 -0.47 -0.00 0.00 -1.05 0.00 0.00 58.31 56.72 2jma n LYS 39 Cb 0.52 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.38 2jma n LYS 39 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2jma n ASP 40 N -0.79 4.20 -3.97 -5.58 8.00 -1.26 -4.73 116.55 112.40 2jma n ASP 40 Ca 0.07 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.35 2jma n ASP 40 Cb 0.39 0.84 -0.16 0.00 -0.02 0.00 0.00 41.12 42.17 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 -2.15 1.07 -0.06 1.24 0.52 -1.26 -0.35 118.94 117.94 2jma s TRP 41 Ca -0.01 -0.34 0.06 0.00 0.02 0.00 0.00 56.10 55.83 2jma s TRP 41 Cb 0.02 -0.82 -0.01 0.00 -1.15 0.00 0.00 33.47 31.51 2jma s TRP 41 CO 0.14 -0.20 -0.24 -1.58 0.02 0.00 0.00 176.95 175.10 2jma s TRP 42 N 0.61 2.35 -0.22 -1.98 0.52 0.85 -4.16 118.94 116.91 2jma s TRP 42 Ca -0.11 -0.74 -0.22 0.00 0.02 0.00 0.00 56.10 55.06 2jma s TRP 42 Cb -0.13 -1.55 -0.02 0.00 -1.15 0.00 0.00 33.47 30.61 2jma s TRP 42 CO 0.02 -0.24 0.70 0.21 0.02 0.00 0.00 176.95 177.65 2jma s LYS 43 N -0.06 4.18 0.24 4.98 2.20 0.48 -0.76 119.74 131.00 2jma s LYS 43 Ca -0.06 0.71 0.01 0.00 -0.36 0.00 0.00 55.97 56.27 2jma s LYS 43 Cb -0.14 -3.62 -0.05 0.00 -1.51 0.00 0.00 37.83 32.52 2jma s LYS 43 CO 0.04 -0.37 0.10 0.14 -0.36 0.00 0.00 175.35 174.91 2jma s VAL 44 N 2.33 0.42 -0.14 4.02 -7.23 0.78 -0.20 120.40 120.39 2jma s VAL 44 Ca 0.30 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.49 2jma s VAL 44 Cb -0.16 -2.59 0.01 0.00 0.56 0.00 0.00 36.38 34.21 2jma s VAL 44 CO 0.09 -0.01 -0.18 -0.70 -0.31 0.00 0.00 175.10 173.99 2jma s GLU 45 N -4.06 2.63 -0.26 4.82 2.12 -0.68 -1.27 118.70 121.99 2jma s GLU 45 Ca 0.38 -0.70 -0.06 0.00 0.36 0.00 0.00 54.97 54.95 2jma s GLU 45 Cb 0.08 -2.22 -0.00 0.00 0.26 0.00 0.00 34.13 32.25 2jma s GLU 45 CO 0.13 -0.10 0.04 0.14 -0.54 0.00 0.00 175.26 174.93 2jma s VAL 46 N 1.05 3.84 0.00 3.70 -7.23 0.10 -3.09 120.40 118.78 2jma s VAL 46 Ca -0.03 -0.54 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 2jma s VAL 46 Cb -0.14 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 33.91 2jma s VAL 46 CO -0.05 0.23 0.00 -0.46 -0.31 0.00 0.00 175.10 174.51 2jma n ASN 47 N 4.85 0.00 0.00 4.85 0.23 -1.26 -0.11 115.26 123.82 2jma n ASN 47 Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.89 2jma n ASN 47 Cb 0.49 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 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 0.56 0.00 -4.66 0.53 2.03 -1.26 -4.98 116.55 108.76 2jma n ASP 48 Ca 0.00 -0.33 -0.38 0.00 0.52 0.00 0.00 54.79 54.60 2jma n ASP 48 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 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 4.13 -0.20 -0.67 1.81 0.84 -4.77 118.95 120.09 2jma s ARG 49 Ca 0.00 0.07 -0.10 0.00 -1.72 0.00 0.00 55.73 53.98 2jma s ARG 49 Cb 0.00 -3.55 -0.05 0.00 -0.45 0.00 0.00 34.95 30.90 2jma s ARG 49 CO 0.00 -0.04 0.13 -0.65 -0.68 0.00 0.00 175.30 174.06 2jma s GLN 50 N 1.33 4.14 -0.03 3.54 -0.21 -1.26 -0.72 119.66 126.45 2jma s GLN 50 Ca 0.16 -0.24 -0.13 0.00 0.02 0.00 0.00 55.36 55.16 2jma s GLN 50 Cb -0.15 -3.42 0.04 0.00 1.00 0.00 0.00 33.01 30.49 2jma s GLN 50 CO 0.07 0.25 0.58 0.41 -2.12 0.00 0.00 175.29 174.49 2jma n GLY 51 N 3.66 0.34 3.90 3.09 0.00 -0.40 -4.83 105.19 110.96 2jma n GLY 51 Ca -0.16 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.28 3.55 0.06 1.61 0.40 0.12 -0.16 117.98 121.27 2jma s PHE 52 Ca 0.14 0.38 0.00 0.00 -0.60 0.00 0.00 56.93 56.85 2jma s PHE 52 Cb -0.00 -1.85 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 2jma s PHE 52 CO -0.01 0.63 -0.05 0.14 0.70 0.00 0.00 175.22 176.63 2jma s VAL 53 N -1.35 0.39 0.11 -0.44 -7.23 0.06 -2.14 120.40 109.80 2jma s VAL 53 Ca 0.29 -1.68 -0.31 0.00 -1.81 0.00 0.00 61.98 58.47 2jma s VAL 53 Cb -0.13 -1.34 -0.10 0.00 0.56 0.00 0.00 36.38 35.37 2jma s VAL 53 CO 0.20 -0.84 1.75 -2.84 -0.31 0.00 0.00 175.10 173.05 2jma s PRO 54 N -3.39 4.16 0.52 4.82 0.02 -1.26 -0.11 135.00 139.76 2jma s PRO 54 Ca 0.04 2.49 0.22 0.00 0.02 0.00 0.00 61.00 63.77 2jma s PRO 54 Cb 0.03 -3.55 1.38 0.00 0.02 0.00 0.00 34.50 32.39 2jma s PRO 54 CO -0.06 -0.79 2.11 0.00 -0.33 0.00 0.00 177.00 177.93 2jma h ALA 55 N 8.32 1.61 0.00 -1.55 0.00 -0.98 0.45 119.26 127.11 2jma h ALA 55 Ca -0.44 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jma h ALA 55 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jma h ALA 55 CO 0.94 0.10 0.00 0.00 0.00 0.00 0.00 179.25 180.29 2jma n ALA 56 N -2.41 1.99 0.73 0.00 0.00 -1.26 -2.25 120.51 117.31 2jma n ALA 56 Ca -0.03 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.42 2jma n ALA 56 Cb 0.17 -1.34 0.08 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.43 0.02 -4.13 0.00 4.02 0.14 -4.96 117.16 110.83 2jma n TYR 57 Ca 0.07 -0.01 -0.15 0.00 -0.01 0.00 0.00 57.90 57.79 2jma n TYR 57 Cb 0.22 -0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.42 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 -1.50 0.77 -0.00 -0.72 1.01 -0.95 -0.35 120.40 118.66 2jma s VAL 58 Ca 0.21 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 61.11 2jma s VAL 58 Cb 0.15 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 2jma s VAL 58 CO 0.23 -0.28 -0.07 -0.75 0.00 0.00 0.00 175.10 174.23 2jma s LYS 59 N -1.53 0.53 0.09 2.72 2.36 -0.62 -4.89 119.74 118.41 2jma s LYS 59 Ca -0.06 -0.28 -0.31 0.00 -2.55 0.00 0.00 55.97 52.77 2jma s LYS 59 Cb -0.09 -0.50 -0.10 0.00 -1.05 0.00 0.00 37.83 36.08 2jma s LYS 59 CO 0.01 0.13 1.87 1.63 1.55 0.00 0.00 175.35 180.55 2jma n LYS 60 N 2.78 2.77 0.20 4.03 4.01 -1.26 -0.59 118.16 130.10 2jma n LYS 60 Ca -0.14 1.01 0.09 0.00 -0.51 0.00 0.00 58.31 58.76 2jma n LYS 60 Cb 0.57 -2.92 0.30 0.00 -0.51 0.00 0.00 35.03 32.47 2jma n LYS 60 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 2jma h LEU 61 N 9.10 0.00 0.00 -0.35 3.38 -1.81 -3.46 115.31 122.17 2jma h LEU 61 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2jma h LEU 61 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2jma h LEU 61 CO 0.94 0.23 0.00 -0.67 0.09 0.00 0.00 178.44 179.03