#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 -0.25 -2.69 7.83 -0.08 -1.26 -5.10 116.55 115.00 2jma n ASP 2 Ca 0.00 -1.55 -0.10 0.00 -1.51 0.00 0.00 54.79 51.63 2jma n ASP 2 Cb 0.00 0.52 0.03 0.00 2.34 0.00 0.00 41.12 44.01 2jma n ASP 2 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2jma n GLU 3 N -0.16 1.17 -4.13 -0.67 1.02 -1.26 -4.89 120.64 111.72 2jma n GLU 3 Ca 0.01 -3.28 -0.33 0.00 -0.02 0.00 0.00 57.16 53.54 2jma n GLU 3 Cb 0.16 -1.29 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 2jma n GLU 3 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2jma n THR 4 N -0.05 -1.67 -3.51 2.62 -1.04 -1.26 -4.90 114.28 104.47 2jma n THR 4 Ca 0.11 -0.16 -0.30 0.00 -2.04 0.00 0.00 64.05 61.66 2jma n THR 4 Cb 0.81 -2.02 -0.08 0.00 -1.82 0.00 0.00 70.33 67.22 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 -1.62 4.61 0.00 3.41 0.00 -1.26 -4.99 105.19 105.34 2jma n GLY 5 Ca -0.05 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.27 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 1.30 0.00 -1.64 1.61 2.85 -1.26 -5.12 118.16 115.90 2jma n LYS 6 Ca 0.26 0.00 -0.54 0.00 -1.05 0.00 0.00 58.31 56.98 2jma n LYS 6 Cb 0.38 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.70 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 1.13 -4.38 -1.58 0.00 -1.26 -4.85 120.64 109.71 2jma n GLU 7 Ca 0.00 0.41 -0.29 0.00 0.00 0.00 0.00 57.16 57.28 2jma n GLU 7 Cb 0.00 -2.07 -0.13 0.00 0.00 0.00 0.00 31.44 29.24 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 1.77 2.39 0.08 4.31 1.43 -1.26 0.38 118.68 127.77 2jma s LEU 8 Ca 0.90 -0.71 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 2jma s LEU 8 Cb -1.01 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.89 2jma s LEU 8 CO 0.55 0.18 -0.07 0.68 0.23 0.00 0.00 176.35 177.92 2jma s VAL 9 N -1.07 0.64 -0.15 -1.59 -7.23 -0.00 -1.85 120.40 109.14 2jma s VAL 9 Ca 0.15 -1.65 -0.04 0.00 -1.81 0.00 0.00 61.98 58.62 2jma s VAL 9 Cb -0.10 -1.33 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 2jma s VAL 9 CO 0.07 -0.71 -0.01 -0.22 -0.31 0.00 0.00 175.10 173.91 2jma s LEU 10 N -2.56 3.43 -0.48 1.32 2.96 0.30 -0.83 118.68 122.82 2jma s LEU 10 Ca 0.05 -0.03 -0.29 0.00 -0.22 0.00 0.00 54.13 53.63 2jma s LEU 10 Cb 0.00 -1.83 0.03 0.00 0.50 0.00 0.00 46.19 44.90 2jma s LEU 10 CO -0.03 0.21 1.12 0.00 -1.32 0.00 0.00 176.35 176.33 2jma s ALA 11 N 0.13 3.16 0.15 5.97 0.00 -0.52 -1.54 121.76 129.11 2jma s ALA 11 Ca 0.01 -0.50 -0.08 0.00 0.00 0.00 0.00 51.96 51.38 2jma s ALA 11 Cb -0.13 -3.88 -0.02 0.00 0.00 0.00 0.00 23.12 19.09 2jma s ALA 11 CO 0.02 -2.25 1.43 -0.07 0.00 0.00 0.00 175.76 174.89 2jma h LEU 12 N 11.18 0.83 -8.67 0.00 4.07 -0.94 -1.72 115.31 120.06 2jma h LEU 12 Ca -0.23 -0.46 -0.27 0.00 0.08 0.00 0.00 57.88 57.00 2jma h LEU 12 Cb 1.06 -0.24 -0.15 0.00 1.08 0.00 0.00 40.66 42.41 2jma h LEU 12 CO 1.12 1.23 -0.62 -0.31 -1.08 0.00 0.00 178.44 178.78 2jma s TYR 13 N -4.01 1.26 0.32 1.13 2.02 -1.25 -4.72 117.35 112.10 2jma s TYR 13 Ca -0.09 -1.31 -0.27 0.00 -0.37 0.00 0.00 57.07 55.03 2jma s TYR 13 Cb 0.10 -0.66 -0.10 0.00 -0.40 0.00 0.00 41.96 40.91 2jma s TYR 13 CO 0.87 -0.54 0.97 0.16 -1.57 0.00 0.00 175.55 175.44 2jma s ASP 14 N -3.20 7.28 -0.03 2.29 -4.77 -1.26 -3.71 116.67 113.28 2jma s ASP 14 Ca 0.38 1.92 -0.06 0.00 -3.30 0.00 0.00 52.55 51.49 2jma s ASP 14 Cb 0.07 -2.59 0.01 0.00 -1.09 0.00 0.00 42.92 39.32 2jma s ASP 14 CO 0.12 -0.11 0.13 -0.47 0.70 0.00 0.00 175.17 175.54 2jma s TYR 15 N -1.53 -0.06 -0.07 2.11 5.04 -0.32 -4.96 117.35 117.56 2jma s TYR 15 Ca 0.50 0.15 0.05 0.00 -2.44 0.00 0.00 57.07 55.32 2jma s TYR 15 Cb -0.21 0.00 -0.01 0.00 0.35 0.00 0.00 41.96 42.09 2jma s TYR 15 CO 0.27 -0.16 -0.21 -1.14 -1.34 0.00 0.00 175.55 172.97 2jma s GLN 16 N -0.54 2.66 0.22 4.97 2.00 -1.26 -1.32 119.66 126.38 2jma s GLN 16 Ca -0.06 -0.84 -0.31 0.00 -2.00 0.00 0.00 55.36 52.15 2jma s GLN 16 Cb -0.04 -2.27 -0.11 0.00 0.80 0.00 0.00 33.01 31.39 2jma s GLN 16 CO 0.01 0.40 1.66 -1.83 -0.50 0.00 0.00 175.29 175.03 2jma s GLU 17 N -0.20 4.14 -0.05 1.67 -1.05 -1.25 -4.87 118.70 117.09 2jma s GLU 17 Ca -0.02 2.55 0.13 0.00 -0.15 0.00 0.00 54.97 57.48 2jma s GLU 17 Cb -0.13 -3.08 -0.19 0.00 -0.44 0.00 0.00 34.13 30.28 2jma s GLU 17 CO 0.03 -0.69 0.22 1.63 0.95 0.00 0.00 175.26 177.40 2jma n LYS 18 N 3.60 0.89 -4.37 -4.83 5.02 -1.26 -4.97 118.16 112.23 2jma n LYS 18 Ca 0.14 -0.09 -0.19 0.00 -2.02 0.00 0.00 58.31 56.16 2jma n LYS 18 Cb 0.36 -1.32 -0.10 0.00 -0.02 0.00 0.00 35.03 33.95 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 -3.87 1.95 0.11 4.39 1.04 -1.26 -5.02 113.70 111.04 2jma s SER 19 Ca -0.05 -1.29 0.10 0.00 0.48 0.00 0.00 55.95 55.19 2jma s SER 19 Cb 0.07 -0.01 0.50 0.00 0.10 0.00 0.00 66.02 66.69 2jma s SER 19 CO 0.55 -0.56 1.32 -2.65 0.98 0.00 0.00 173.24 172.87 2jma n PRO 20 N -0.52 0.05 -0.64 4.02 -0.02 -1.26 -1.11 135.00 135.53 2jma n PRO 20 Ca -0.03 0.48 0.08 0.00 -2.02 0.00 0.00 63.50 62.01 2jma n PRO 20 Cb 0.65 -1.65 0.32 0.00 -0.02 0.00 0.00 33.50 32.80 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 -1.60 3.38 -2.47 3.55 0.00 -1.26 -4.95 120.51 117.16 2jma n ALA 21 Ca 0.00 -2.13 -0.24 0.00 0.00 0.00 0.00 53.44 51.08 2jma n ALA 21 Cb 0.06 -0.89 -0.12 0.00 0.00 0.00 0.00 19.45 18.50 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 -2.78 1.27 0.12 0.00 2.02 -0.26 -0.15 118.70 118.91 2jma s GLU 22 Ca 0.48 -1.35 0.06 0.00 0.02 0.00 0.00 54.97 54.18 2jma s GLU 22 Cb 0.37 -1.45 -0.04 0.00 0.10 0.00 0.00 34.13 33.12 2jma s GLU 22 CO 0.12 0.31 -0.14 0.14 0.02 0.00 0.00 175.26 175.71 2jma s VAL 23 N -1.68 1.34 -0.02 2.63 -7.23 -0.97 -4.66 120.40 109.81 2jma s VAL 23 Ca 0.14 -1.68 -0.17 0.00 -1.81 0.00 0.00 61.98 58.46 2jma s VAL 23 Cb -0.08 -1.50 -0.05 0.00 0.56 0.00 0.00 36.38 35.31 2jma s VAL 23 CO 0.06 -0.38 0.46 -0.89 -0.31 0.00 0.00 175.10 174.05 2jma s THR 24 N -2.01 5.02 0.12 5.32 2.01 -1.26 -3.87 115.64 120.96 2jma s THR 24 Ca 0.08 0.96 -0.00 0.00 0.31 0.00 0.00 61.69 63.03 2jma s THR 24 Cb -0.06 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 2jma s THR 24 CO 0.03 0.49 0.02 0.00 -0.69 0.00 0.00 174.62 174.47 2jma s MET 25 N -0.53 0.88 0.07 4.92 0.23 -0.44 -4.95 119.30 119.48 2jma s MET 25 Ca 0.26 -1.40 0.05 0.00 -1.03 0.00 0.00 55.69 53.57 2jma s MET 25 Cb -0.17 0.11 -0.03 0.00 -1.53 0.00 0.00 34.83 33.21 2jma s MET 25 CO 0.14 -0.18 -0.14 0.15 -2.03 0.00 0.00 175.02 172.96 2jma s LYS 26 N -3.98 0.80 0.19 3.16 3.01 -1.26 -1.18 119.74 120.49 2jma s LYS 26 Ca 0.19 -0.91 -0.32 0.00 -1.01 0.00 0.00 55.97 53.92 2jma s LYS 26 Cb 0.07 -0.79 -0.12 0.00 -1.01 0.00 0.00 37.83 35.99 2jma s LYS 26 CO -0.01 0.17 1.75 0.21 0.51 0.00 0.00 175.35 177.98 2jma s LYS 27 N -1.66 4.13 0.00 1.68 2.47 -1.24 -2.14 119.74 122.98 2jma s LYS 27 Ca -0.02 2.61 0.00 0.00 -1.56 0.00 0.00 55.97 57.00 2jma s LYS 27 Cb -0.10 -3.18 0.00 0.00 -1.46 0.00 0.00 37.83 33.09 2jma s LYS 27 CO 0.02 -0.77 0.00 0.41 0.16 0.00 0.00 175.35 175.17 2jma n GLY 28 N 4.04 0.96 3.75 5.54 0.00 -0.65 -4.99 105.19 113.83 2jma n GLY 28 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.02 5.49 -0.33 1.61 -1.08 -0.91 -4.94 116.67 114.49 2jma s ASP 29 Ca 0.00 0.09 -0.15 0.00 -0.52 0.00 0.00 52.55 51.97 2jma s ASP 29 Cb 0.00 -1.53 -0.02 0.00 -1.46 0.00 0.00 42.92 39.92 2jma s ASP 29 CO 0.00 0.27 0.34 -0.63 0.52 0.00 0.00 175.17 175.66 2jma s ILE 30 N -1.17 5.19 0.04 4.11 1.09 -1.26 -1.45 121.20 127.76 2jma s ILE 30 Ca 0.22 0.05 0.01 0.00 -1.10 0.00 0.00 60.65 59.84 2jma s ILE 30 Cb -0.12 -3.78 -0.04 0.00 -1.06 0.00 0.00 42.46 37.46 2jma s ILE 30 CO 0.13 -0.04 0.09 -0.76 -0.10 0.00 0.00 174.94 174.26 2jma s LEU 31 N 1.96 3.88 -0.14 2.97 2.01 -0.01 -4.95 118.68 124.40 2jma s LEU 31 Ca 0.11 0.08 -0.21 0.00 0.01 0.00 0.00 54.13 54.12 2jma s LEU 31 Cb -0.17 -2.42 -0.03 0.00 0.01 0.00 0.00 46.19 43.58 2jma s LEU 31 CO 0.11 0.22 0.60 -0.89 1.01 0.00 0.00 176.35 177.40 2jma s THR 32 N -1.31 5.08 -0.05 5.49 2.01 -1.08 -0.82 115.64 124.96 2jma s THR 32 Ca 0.27 1.18 -0.29 0.00 0.31 0.00 0.00 61.69 63.16 2jma s THR 32 Cb -0.12 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 2jma s THR 32 CO 0.19 0.21 0.94 -0.76 -0.69 0.00 0.00 174.62 174.51 2jma s LEU 33 N 1.23 4.31 -0.09 4.42 1.43 0.16 -0.93 118.68 129.21 2jma s LEU 33 Ca 0.30 1.53 0.01 0.00 -1.03 0.00 0.00 54.13 54.94 2jma s LEU 33 Cb -0.16 -3.48 -0.06 0.00 0.03 0.00 0.00 46.19 42.52 2jma s LEU 33 CO 0.12 -0.31 -0.08 0.18 0.23 0.00 0.00 176.35 176.50 2jma n LEU 34 N 4.31 2.82 -3.67 1.79 4.77 0.82 -4.48 117.00 123.37 2jma n LEU 34 Ca 0.06 -0.05 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 2jma n LEU 34 Cb 0.50 -0.29 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 2jma n LEU 34 CO 0.51 0.63 0.06 0.21 -1.33 0.00 0.00 177.39 177.47 2jma s ASN 35 N -4.83 -0.41 -0.21 -1.43 3.84 -0.83 -4.98 114.94 106.07 2jma s ASN 35 Ca -0.12 1.03 0.14 0.00 0.21 0.00 0.00 52.86 54.13 2jma s ASN 35 Cb 0.03 1.27 0.45 0.00 -0.55 0.00 0.00 41.25 42.46 2jma s ASN 35 CO 0.22 -0.22 1.18 -1.54 -2.79 0.00 0.00 177.10 173.95 2jma n SER 36 N 5.07 2.70 0.00 -4.21 3.41 -1.26 -0.23 113.62 119.09 2jma n SER 36 Ca -0.13 -3.20 0.08 0.00 -0.26 0.00 0.00 58.87 55.36 2jma n SER 36 Cb 0.51 -0.42 0.38 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.62 0.78 -4.20 6.66 5.66 -1.26 -4.68 114.28 116.62 2jma n THR 37 Ca 0.23 0.19 -0.28 0.00 -3.05 0.00 0.00 64.05 61.14 2jma n THR 37 Cb 0.88 -0.89 -0.09 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 -2.97 4.68 0.00 1.09 3.84 -1.26 -5.03 114.94 115.29 2jma s ASN 38 Ca 0.09 -0.35 0.20 0.00 0.21 0.00 0.00 52.86 53.01 2jma s ASN 38 Cb 0.11 -0.99 0.01 0.00 -0.55 0.00 0.00 41.25 39.84 2jma s ASN 38 CO 0.31 0.14 1.00 2.29 -2.79 0.00 0.00 177.10 178.06 2jma n LYS 39 N 0.33 1.46 -0.06 0.43 2.85 -1.26 -4.40 118.16 117.51 2jma n LYS 39 Ca -0.11 -1.00 -0.06 0.00 -1.05 0.00 0.00 58.31 56.09 2jma n LYS 39 Cb 0.53 -1.39 -0.09 0.00 -0.65 0.00 0.00 35.03 33.43 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 0.05 2.17 -4.00 -5.58 9.92 -1.26 -4.68 116.55 113.16 2jma n ASP 40 Ca 0.08 -0.01 -0.22 0.00 -0.53 0.00 0.00 54.79 54.12 2jma n ASP 40 Cb 0.42 0.69 -0.16 0.00 -0.64 0.00 0.00 41.12 41.44 2jma n ASP 40 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 2jma s TRP 41 N -2.29 1.10 -0.07 1.24 0.52 -1.26 -0.55 118.94 117.63 2jma s TRP 41 Ca -0.07 -0.32 0.04 0.00 0.02 0.00 0.00 56.10 55.78 2jma s TRP 41 Cb 0.04 -0.80 -0.00 0.00 -1.15 0.00 0.00 33.47 31.55 2jma s TRP 41 CO 0.47 -0.15 -0.21 -1.58 0.02 0.00 0.00 176.95 175.50 2jma s TRP 42 N 0.37 2.18 -0.17 -1.98 0.52 0.13 -4.13 118.94 115.85 2jma s TRP 42 Ca -0.07 -0.76 -0.25 0.00 0.02 0.00 0.00 56.10 55.04 2jma s TRP 42 Cb -0.11 -1.46 -0.02 0.00 -1.15 0.00 0.00 33.47 30.73 2jma s TRP 42 CO 0.01 -0.29 0.80 0.21 0.02 0.00 0.00 176.95 177.70 2jma s LYS 43 N 0.19 4.29 0.36 4.98 2.20 0.67 -0.49 119.74 131.95 2jma s LYS 43 Ca -0.11 0.96 0.04 0.00 -0.36 0.00 0.00 55.97 56.50 2jma s LYS 43 Cb -0.15 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.57 2jma s LYS 43 CO 0.05 -0.30 0.13 0.14 -0.36 0.00 0.00 175.35 175.02 2jma s VAL 44 N 2.06 0.59 -0.06 4.02 -7.23 0.10 -0.13 120.40 119.75 2jma s VAL 44 Ca 0.37 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 2jma s VAL 44 Cb -0.17 -2.47 0.02 0.00 0.56 0.00 0.00 36.38 34.32 2jma s VAL 44 CO 0.12 0.00 -0.07 -0.70 -0.31 0.00 0.00 175.10 174.14 2jma s GLU 45 N -3.77 1.18 -0.25 4.82 2.12 -0.11 -1.42 118.70 121.27 2jma s GLU 45 Ca 0.30 -0.22 -0.00 0.00 0.36 0.00 0.00 54.97 55.41 2jma s GLU 45 Cb 0.04 -1.10 0.04 0.00 0.26 0.00 0.00 34.13 33.37 2jma s GLU 45 CO 0.16 -0.06 -0.08 0.14 -0.54 0.00 0.00 175.26 174.88 2jma s VAL 46 N 0.91 2.65 0.00 3.70 -7.23 -0.12 -2.63 120.40 117.68 2jma s VAL 46 Ca -0.11 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 2jma s VAL 46 Cb -0.15 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.39 2jma s VAL 46 CO 0.01 0.13 0.00 -0.46 -0.31 0.00 0.00 175.10 174.47 2jma n ASN 47 N 4.60 0.00 0.00 4.85 0.23 -1.26 -0.00 115.26 123.68 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 0.46 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 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 0.07 0.00 -4.56 0.53 2.03 -1.26 -4.88 116.55 108.48 2jma n ASP 48 Ca 0.00 -0.27 -0.42 0.00 0.52 0.00 0.00 54.79 54.63 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 3.60 -0.16 -0.67 1.81 1.00 -4.47 118.95 120.06 2jma s ARG 49 Ca 0.00 -0.08 -0.09 0.00 -1.72 0.00 0.00 55.73 53.84 2jma s ARG 49 Cb 0.00 -3.83 -0.05 0.00 -0.45 0.00 0.00 34.95 30.63 2jma s ARG 49 CO 0.00 -0.74 0.15 -0.65 -0.68 0.00 0.00 175.30 173.38 2jma s GLN 50 N 2.61 3.84 0.00 3.54 -0.21 -1.26 -0.95 119.66 127.24 2jma s GLN 50 Ca 0.22 -0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.46 2jma s GLN 50 Cb -0.15 -3.31 0.00 0.00 1.00 0.00 0.00 33.01 30.55 2jma s GLN 50 CO 0.15 0.53 0.00 0.41 -2.12 0.00 0.00 175.29 174.26 2jma n GLY 51 N 2.76 -1.55 3.89 3.09 0.00 -0.51 -4.74 105.19 108.12 2jma n GLY 51 Ca -0.18 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.33 3.50 0.05 1.61 0.40 0.79 0.03 117.98 122.03 2jma s PHE 52 Ca 0.00 0.63 -0.02 0.00 -0.60 0.00 0.00 56.93 56.94 2jma s PHE 52 Cb 0.00 -2.06 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 2jma s PHE 52 CO 0.00 0.45 0.01 0.14 0.70 0.00 0.00 175.22 176.53 2jma s VAL 53 N -1.59 0.19 0.18 -0.44 -7.23 0.36 -2.29 120.40 109.57 2jma s VAL 53 Ca 0.39 -1.53 -0.32 0.00 -1.81 0.00 0.00 61.98 58.71 2jma s VAL 53 Cb -0.13 -1.25 -0.11 0.00 0.56 0.00 0.00 36.38 35.45 2jma s VAL 53 CO 0.22 -0.84 1.73 -2.84 -0.31 0.00 0.00 175.10 173.06 2jma s PRO 54 N -3.41 4.14 0.52 4.82 0.02 -1.26 0.20 135.00 140.02 2jma s PRO 54 Ca 0.02 2.57 0.26 0.00 0.02 0.00 0.00 61.00 63.87 2jma s PRO 54 Cb 0.04 -3.24 1.41 0.00 0.02 0.00 0.00 34.50 32.73 2jma s PRO 54 CO -0.08 -0.76 2.07 0.00 -0.33 0.00 0.00 177.00 177.90 2jma h ALA 55 N 7.33 1.33 0.00 -1.55 0.00 -1.09 0.12 119.26 125.39 2jma h ALA 55 Ca -0.44 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2jma h ALA 55 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2jma h ALA 55 CO 0.95 0.15 0.00 0.00 0.00 0.00 0.00 179.25 180.35 2jma n ALA 56 N -2.30 2.32 0.22 0.00 0.00 -1.26 -2.54 120.51 116.94 2jma n ALA 56 Ca -0.02 -0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.39 2jma n ALA 56 Cb 0.24 -1.43 0.15 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.32 0.36 -3.90 0.00 4.02 0.02 -4.90 117.16 111.44 2jma n TYR 57 Ca 0.12 -0.25 -0.11 0.00 -0.01 0.00 0.00 57.90 57.65 2jma n TYR 57 Cb 0.23 -0.01 -0.12 0.00 -0.02 0.00 0.00 39.34 39.43 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 -1.21 0.06 -0.01 -0.72 1.01 -1.05 -0.23 120.40 118.24 2jma s VAL 58 Ca 0.28 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2jma s VAL 58 Cb 0.16 -0.25 -0.00 0.00 0.00 0.00 0.00 36.38 36.30 2jma s VAL 58 CO 0.23 -0.28 -0.06 -0.75 0.00 0.00 0.00 175.10 174.24 2jma s LYS 59 N -0.88 0.55 0.19 2.72 2.36 -0.59 -4.88 119.74 119.21 2jma s LYS 59 Ca -0.10 -0.21 -0.33 0.00 -2.55 0.00 0.00 55.97 52.78 2jma s LYS 59 Cb -0.06 -0.53 -0.14 0.00 -1.05 0.00 0.00 37.83 36.05 2jma s LYS 59 CO 0.00 0.12 1.54 1.63 1.55 0.00 0.00 175.35 180.19 2jma n LYS 60 N 3.04 2.16 0.12 4.03 4.01 -1.26 -0.54 118.16 129.72 2jma n LYS 60 Ca -0.14 0.78 0.07 0.00 -0.51 0.00 0.00 58.31 58.51 2jma n LYS 60 Cb 0.57 -2.52 0.02 0.00 -0.51 0.00 0.00 35.03 32.59 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 5.47 0.00 0.00 -0.35 3.38 -1.71 -3.46 115.31 118.64 2jma h LEU 61 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2jma h LEU 61 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2jma h LEU 61 CO 0.85 0.22 0.00 -0.67 0.09 0.00 0.00 178.44 178.93