#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 6.38 -0.01 7.83 1.01 -1.26 -4.92 116.67 125.70 2jma s ASP 2 Ca 0.00 -0.01 0.07 0.00 0.71 0.00 0.00 52.55 53.32 2jma s ASP 2 Cb 0.00 -2.31 0.20 0.00 1.01 0.00 0.00 42.92 41.81 2jma s ASP 2 CO 0.00 -0.61 1.14 -0.62 0.21 0.00 0.00 175.17 175.29 2jma n GLU 3 N 6.03 1.55 -0.41 8.23 -0.58 -1.26 -3.55 120.64 130.65 2jma n GLU 3 Ca -0.02 -0.80 0.07 0.00 -0.42 0.00 0.00 57.16 55.99 2jma n GLU 3 Cb 0.48 -1.21 0.22 0.00 -0.57 0.00 0.00 31.44 30.36 2jma n GLU 3 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2jma n THR 4 N 0.14 2.23 -2.03 2.62 5.66 -1.26 -4.70 114.28 116.94 2jma n THR 4 Ca 0.07 -2.18 -0.39 0.00 -3.05 0.00 0.00 64.05 58.50 2jma n THR 4 Cb 0.21 -0.26 0.04 0.00 -1.55 0.00 0.00 70.33 68.76 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 -0.88 5.61 0.00 1.09 0.00 -1.23 -4.90 105.19 104.87 2jma n GLY 5 Ca 0.22 -2.51 0.00 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.49 0.32 -1.67 1.61 5.02 -1.26 -5.09 118.16 116.60 2jma n LYS 6 Ca 0.52 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.39 2jma n LYS 6 Cb 0.26 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.24 2jma n LYS 6 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2jma n GLU 7 N 0.00 2.81 -3.94 1.97 1.02 -1.26 -4.84 120.64 116.40 2jma n GLU 7 Ca 0.00 1.03 -0.32 0.00 -0.02 0.00 0.00 57.16 57.85 2jma n GLU 7 Cb 0.00 -2.96 -0.05 0.00 -0.02 0.00 0.00 31.44 28.41 2jma n GLU 7 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2jma s LEU 8 N 3.86 4.28 0.10 -4.62 1.43 -1.26 0.77 118.68 123.23 2jma s LEU 8 Ca 0.87 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 54.25 2jma s LEU 8 Cb -0.46 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 2jma s LEU 8 CO 0.41 0.20 -0.08 0.68 0.23 0.00 0.00 176.35 177.79 2jma s VAL 9 N -1.43 0.78 -0.10 -1.59 -7.23 0.48 -1.38 120.40 109.93 2jma s VAL 9 Ca 0.32 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 2jma s VAL 9 Cb -0.13 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 2jma s VAL 9 CO 0.24 -0.78 -0.09 -0.22 -0.31 0.00 0.00 175.10 173.95 2jma s LEU 10 N -2.87 3.02 -0.38 1.32 2.96 0.35 -0.62 118.68 122.46 2jma s LEU 10 Ca 0.10 -0.13 -0.26 0.00 -0.22 0.00 0.00 54.13 53.62 2jma s LEU 10 Cb 0.03 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 45.06 2jma s LEU 10 CO -0.03 0.28 0.92 0.00 -1.32 0.00 0.00 176.35 176.20 2jma s ALA 11 N -0.31 3.38 0.10 5.97 0.00 -0.59 -1.06 121.76 129.25 2jma s ALA 11 Ca 0.04 -0.51 -0.09 0.00 0.00 0.00 0.00 51.96 51.40 2jma s ALA 11 Cb -0.13 -3.55 -0.17 0.00 0.00 0.00 0.00 23.12 19.28 2jma s ALA 11 CO 0.02 -1.67 1.24 -0.07 0.00 0.00 0.00 175.76 175.29 2jma h LEU 12 N 10.15 0.72 -8.87 0.00 4.07 -1.01 -1.94 115.31 118.43 2jma h LEU 12 Ca -0.23 -0.58 -0.35 0.00 0.08 0.00 0.00 57.88 56.80 2jma h LEU 12 Cb 1.08 -0.22 -0.14 0.00 1.08 0.00 0.00 40.66 42.45 2jma h LEU 12 CO 0.99 1.38 -0.62 -0.31 -1.08 0.00 0.00 178.44 178.80 2jma s TYR 13 N -3.28 1.51 0.13 1.13 2.02 -1.25 -4.72 117.35 112.89 2jma s TYR 13 Ca -0.08 -1.14 -0.30 0.00 -0.37 0.00 0.00 57.07 55.19 2jma s TYR 13 Cb 0.08 -0.89 -0.06 0.00 -0.40 0.00 0.00 41.96 40.69 2jma s TYR 13 CO 0.89 -0.29 0.96 0.34 -1.57 0.00 0.00 175.55 175.89 2jma s ASP 14 N -3.30 7.52 0.00 2.29 -1.08 -1.26 -3.60 116.67 117.23 2jma s ASP 14 Ca 0.35 1.81 0.02 0.00 -0.52 0.00 0.00 52.55 54.21 2jma s ASP 14 Cb 0.08 -2.59 -0.01 0.00 -1.46 0.00 0.00 42.92 38.94 2jma s ASP 14 CO 0.12 -0.04 -0.06 -0.47 0.52 0.00 0.00 175.17 175.24 2jma s TYR 15 N -0.14 0.52 -0.13 -5.34 5.04 -0.18 -4.97 117.35 112.15 2jma s TYR 15 Ca 0.46 -0.15 0.01 0.00 -2.44 0.00 0.00 57.07 54.96 2jma s TYR 15 Cb -0.24 -0.33 -0.01 0.00 0.35 0.00 0.00 41.96 41.73 2jma s TYR 15 CO 0.30 -0.02 -0.16 -0.65 -1.34 0.00 0.00 175.55 173.69 2jma s GLN 16 N -0.32 3.28 0.31 4.97 -1.52 -1.26 -1.29 119.66 123.83 2jma s GLN 16 Ca 0.01 -0.74 -0.29 0.00 -1.95 0.00 0.00 55.36 52.38 2jma s GLN 16 Cb -0.03 -2.56 -0.11 0.00 -0.22 0.00 0.00 33.01 30.09 2jma s GLN 16 CO -0.00 0.16 1.49 -1.83 -0.25 0.00 0.00 175.29 174.86 2jma s GLU 17 N 0.46 4.18 -0.10 2.91 -1.05 -1.26 -4.89 118.70 118.95 2jma s GLU 17 Ca -0.11 2.47 0.04 0.00 -0.15 0.00 0.00 54.97 57.21 2jma s GLU 17 Cb -0.16 -3.03 -0.09 0.00 -0.44 0.00 0.00 34.13 30.41 2jma s GLU 17 CO 0.05 -0.49 -0.04 1.63 0.95 0.00 0.00 175.26 177.36 2jma n LYS 18 N 1.48 1.36 -4.11 -4.83 5.02 -1.26 -4.96 118.16 110.87 2jma n LYS 18 Ca 0.04 0.03 -0.23 0.00 -2.02 0.00 0.00 58.31 56.14 2jma n LYS 18 Cb 0.39 -1.22 -0.06 0.00 -0.02 0.00 0.00 35.03 34.12 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 -4.58 4.68 0.00 4.39 1.04 -1.26 -5.00 113.70 112.98 2jma s SER 19 Ca -0.10 -0.77 0.09 0.00 0.48 0.00 0.00 55.95 55.65 2jma s SER 19 Cb 0.03 -0.74 0.47 0.00 0.10 0.00 0.00 66.02 65.88 2jma s SER 19 CO 0.29 -0.29 1.07 -2.65 0.98 0.00 0.00 173.24 172.65 2jma n PRO 20 N -1.14 0.18 -0.29 4.02 -0.02 -1.26 -1.22 135.00 135.27 2jma n PRO 20 Ca -0.03 0.12 0.09 0.00 -2.02 0.00 0.00 63.50 61.66 2jma n PRO 20 Cb 0.61 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.79 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 -1.17 2.72 -2.45 3.55 0.00 -1.26 -5.00 120.51 116.91 2jma n ALA 21 Ca 0.05 -2.52 -0.26 0.00 0.00 0.00 0.00 53.44 50.71 2jma n ALA 21 Cb 0.05 -0.55 -0.11 0.00 0.00 0.00 0.00 19.45 18.84 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 -2.88 1.60 0.01 0.00 2.02 -0.36 -0.18 118.70 118.91 2jma s GLU 22 Ca 0.37 -1.58 0.03 0.00 0.02 0.00 0.00 54.97 53.82 2jma s GLU 22 Cb 0.32 -1.84 -0.01 0.00 0.10 0.00 0.00 34.13 32.69 2jma s GLU 22 CO 0.05 0.38 -0.10 0.14 0.02 0.00 0.00 175.26 175.75 2jma s VAL 23 N -1.91 0.78 0.15 2.63 -7.23 -0.84 -4.64 120.40 109.33 2jma s VAL 23 Ca 0.24 -0.57 -0.30 0.00 -1.81 0.00 0.00 61.98 59.53 2jma s VAL 23 Cb -0.07 -0.68 -0.07 0.00 0.56 0.00 0.00 36.38 36.12 2jma s VAL 23 CO 0.12 0.11 0.97 -0.89 -0.31 0.00 0.00 175.10 175.10 2jma s THR 24 N -0.45 4.33 0.14 5.32 2.01 -1.26 -4.26 115.64 121.48 2jma s THR 24 Ca 0.02 2.02 0.01 0.00 0.31 0.00 0.00 61.69 64.05 2jma s THR 24 Cb -0.05 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 2jma s THR 24 CO 0.00 0.35 -0.00 0.00 -0.69 0.00 0.00 174.62 174.28 2jma s MET 25 N -0.30 0.99 0.07 4.92 0.23 -0.41 -4.96 119.30 119.84 2jma s MET 25 Ca 0.46 -1.46 0.05 0.00 -1.03 0.00 0.00 55.69 53.71 2jma s MET 25 Cb -0.25 -0.14 -0.03 0.00 -1.53 0.00 0.00 34.83 32.89 2jma s MET 25 CO 0.31 -0.13 -0.13 0.15 -2.03 0.00 0.00 175.02 173.19 2jma s LYS 26 N -3.92 0.78 0.19 3.16 3.01 -1.26 -1.01 119.74 120.69 2jma s LYS 26 Ca 0.20 -0.93 -0.32 0.00 -1.01 0.00 0.00 55.97 53.92 2jma s LYS 26 Cb 0.06 -0.76 -0.11 0.00 -1.01 0.00 0.00 37.83 36.00 2jma s LYS 26 CO 0.01 0.17 1.70 0.21 0.51 0.00 0.00 175.35 177.95 2jma s LYS 27 N -1.71 4.14 0.00 1.68 2.47 -1.24 -1.93 119.74 123.15 2jma s LYS 27 Ca -0.03 2.55 0.00 0.00 -1.56 0.00 0.00 55.97 56.93 2jma s LYS 27 Cb -0.10 -3.14 0.00 0.00 -1.46 0.00 0.00 37.83 33.13 2jma s LYS 27 CO 0.02 -0.73 0.00 0.41 0.16 0.00 0.00 175.35 175.21 2jma n GLY 28 N 3.95 0.47 3.86 5.54 0.00 -0.73 -5.00 105.19 113.29 2jma n GLY 28 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.36 6.69 -0.31 1.61 -1.08 -0.81 -4.91 116.67 115.49 2jma s ASP 29 Ca 0.00 0.93 -0.11 0.00 -0.52 0.00 0.00 52.55 52.85 2jma s ASP 29 Cb 0.00 -2.23 -0.02 0.00 -1.46 0.00 0.00 42.92 39.21 2jma s ASP 29 CO 0.00 0.04 0.19 -0.63 0.52 0.00 0.00 175.17 175.28 2jma s ILE 30 N -1.62 4.97 0.10 4.11 1.09 -1.26 -1.55 121.20 127.05 2jma s ILE 30 Ca 0.41 -0.21 0.02 0.00 -1.10 0.00 0.00 60.65 59.78 2jma s ILE 30 Cb -0.13 -3.50 -0.04 0.00 -1.06 0.00 0.00 42.46 37.73 2jma s ILE 30 CO 0.20 0.09 0.16 -0.76 -0.10 0.00 0.00 174.94 174.54 2jma s LEU 31 N 1.68 4.06 -0.22 2.97 2.01 0.21 -4.82 118.68 124.56 2jma s LEU 31 Ca 0.06 0.08 -0.08 0.00 0.01 0.00 0.00 54.13 54.19 2jma s LEU 31 Cb -0.17 -2.68 -0.04 0.00 0.01 0.00 0.00 46.19 43.31 2jma s LEU 31 CO 0.09 0.13 0.09 -0.89 1.01 0.00 0.00 176.35 176.78 2jma s THR 32 N -1.55 4.78 0.11 5.49 2.01 -1.10 -0.39 115.64 124.99 2jma s THR 32 Ca 0.32 -0.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.00 2jma s THR 32 Cb -0.12 -3.20 -0.06 0.00 0.01 0.00 0.00 72.50 69.13 2jma s THR 32 CO 0.25 0.38 1.09 -0.76 -0.69 0.00 0.00 174.62 174.89 2jma s LEU 33 N 0.99 4.44 -0.07 4.42 1.43 0.23 -1.00 118.68 129.12 2jma s LEU 33 Ca 0.05 1.96 -0.00 0.00 -1.03 0.00 0.00 54.13 55.10 2jma s LEU 33 Cb -0.14 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 2jma s LEU 33 CO 0.03 -0.28 -0.07 0.18 0.23 0.00 0.00 176.35 176.45 2jma n LEU 34 N 3.12 2.54 -3.68 1.79 4.77 0.94 -4.33 117.00 122.15 2jma n LEU 34 Ca 0.05 -0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 2jma n LEU 34 Cb 0.47 -0.25 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 2jma n LEU 34 CO 0.54 0.54 0.04 0.21 -1.33 0.00 0.00 177.39 177.38 2jma s ASN 35 N -4.88 -0.38 -0.12 -1.43 3.84 -0.94 -4.99 114.94 106.04 2jma s ASN 35 Ca -0.10 0.92 0.18 0.00 0.21 0.00 0.00 52.86 54.08 2jma s ASN 35 Cb 0.03 1.00 0.43 0.00 -0.55 0.00 0.00 41.25 42.16 2jma s ASN 35 CO 0.16 -0.21 1.19 -1.54 -2.79 0.00 0.00 177.10 173.91 2jma n SER 36 N 4.76 1.53 0.00 -4.21 3.41 -1.26 -0.27 113.62 117.57 2jma n SER 36 Ca -0.17 -2.96 0.11 0.00 -0.26 0.00 0.00 58.87 55.59 2jma n SER 36 Cb 0.53 -0.42 0.49 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.35 0.45 -3.96 6.66 5.66 -1.26 -4.70 114.28 116.78 2jma n THR 37 Ca 0.14 0.11 -0.32 0.00 -3.05 0.00 0.00 64.05 60.93 2jma n THR 37 Cb 0.92 -0.75 -0.05 0.00 -1.55 0.00 0.00 70.33 68.90 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 -2.85 6.12 0.09 1.09 3.84 -1.26 -5.02 114.94 116.95 2jma s ASN 38 Ca 0.14 0.22 0.18 0.00 0.21 0.00 0.00 52.86 53.61 2jma s ASN 38 Cb 0.14 -1.84 -0.11 0.00 -0.55 0.00 0.00 41.25 38.90 2jma s ASN 38 CO 0.37 0.20 0.87 0.29 -2.79 0.00 0.00 177.10 176.04 2jma n LYS 39 N 0.59 0.62 -0.04 0.43 5.02 -1.26 -4.39 118.16 119.13 2jma n LYS 39 Ca -0.08 0.20 0.01 0.00 -2.02 0.00 0.00 58.31 56.42 2jma n LYS 39 Cb 0.52 -1.81 -0.11 0.00 -0.02 0.00 0.00 35.03 33.60 2jma n LYS 39 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2jma n ASP 40 N -2.84 1.62 -4.00 4.39 8.00 -1.26 -4.64 116.55 117.82 2jma n ASP 40 Ca -0.08 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.18 2jma n ASP 40 Cb 0.78 1.28 -0.17 0.00 -0.02 0.00 0.00 41.12 42.99 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 -2.70 1.43 -0.10 1.24 0.52 -1.26 -0.27 118.94 117.80 2jma s TRP 41 Ca -0.06 -0.55 0.03 0.00 0.02 0.00 0.00 56.10 55.54 2jma s TRP 41 Cb 0.07 -1.07 -0.01 0.00 -1.15 0.00 0.00 33.47 31.31 2jma s TRP 41 CO 0.59 -0.30 -0.19 -1.58 0.02 0.00 0.00 176.95 175.48 2jma s TRP 42 N 0.80 2.65 -0.26 -1.98 0.52 0.85 -4.18 118.94 117.34 2jma s TRP 42 Ca -0.12 -0.82 -0.28 0.00 0.02 0.00 0.00 56.10 54.90 2jma s TRP 42 Cb -0.15 -1.75 0.01 0.00 -1.15 0.00 0.00 33.47 30.43 2jma s TRP 42 CO 0.02 -0.29 1.02 0.21 0.02 0.00 0.00 176.95 177.93 2jma s LYS 43 N 0.24 4.19 0.32 4.98 2.20 0.62 -1.27 119.74 131.03 2jma s LYS 43 Ca -0.13 1.22 0.03 0.00 -0.36 0.00 0.00 55.97 56.74 2jma s LYS 43 Cb -0.16 -3.67 -0.04 0.00 -1.51 0.00 0.00 37.83 32.45 2jma s LYS 43 CO 0.07 -0.69 0.14 0.14 -0.36 0.00 0.00 175.35 174.65 2jma s VAL 44 N 3.27 0.46 -0.11 4.02 -7.23 0.94 -0.04 120.40 121.72 2jma s VAL 44 Ca 0.43 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.60 2jma s VAL 44 Cb -0.14 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.30 2jma s VAL 44 CO 0.09 0.00 -0.09 -0.70 -0.31 0.00 0.00 175.10 174.08 2jma s GLU 45 N -3.82 1.65 -0.32 4.82 2.12 -0.17 -0.75 118.70 122.24 2jma s GLU 45 Ca 0.34 -0.32 -0.09 0.00 0.36 0.00 0.00 54.97 55.27 2jma s GLU 45 Cb 0.05 -1.63 0.01 0.00 0.26 0.00 0.00 34.13 32.83 2jma s GLU 45 CO 0.17 -0.22 0.13 0.08 -0.54 0.00 0.00 175.26 174.88 2jma s VAL 46 N 1.52 4.29 0.00 3.70 1.01 0.52 -2.70 120.40 128.74 2jma s VAL 46 Ca 0.02 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2jma s VAL 46 Cb -0.13 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2jma s VAL 46 CO -0.07 -0.03 0.00 -0.46 0.00 0.00 0.00 175.10 174.55 2jma n ASN 47 N 4.93 0.00 0.00 3.32 0.23 -1.26 0.21 115.26 122.69 2jma n ASN 47 Ca -0.13 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.92 2jma n ASN 47 Cb 0.47 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 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 -4.56 0.53 2.03 -1.26 -5.03 116.55 108.26 2jma n ASP 48 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 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 3.62 -0.14 -0.67 1.81 0.13 -5.05 118.95 118.65 2jma s ARG 49 Ca 0.00 -0.19 -0.11 0.00 -1.72 0.00 0.00 55.73 53.71 2jma s ARG 49 Cb 0.00 -3.80 -0.05 0.00 -0.45 0.00 0.00 34.95 30.65 2jma s ARG 49 CO 0.00 -0.62 0.20 -0.65 -0.68 0.00 0.00 175.30 173.56 2jma s GLN 50 N 2.33 3.95 0.00 3.54 -0.21 -1.26 -0.35 119.66 127.65 2jma s GLN 50 Ca 0.18 -0.04 0.00 0.00 0.02 0.00 0.00 55.36 55.51 2jma s GLN 50 Cb -0.16 -3.33 0.00 0.00 1.00 0.00 0.00 33.01 30.52 2jma s GLN 50 CO 0.13 0.47 0.00 0.41 -2.12 0.00 0.00 175.29 174.18 2jma n GLY 51 N 2.83 -1.24 3.91 3.09 0.00 0.07 -4.85 105.19 109.01 2jma n GLY 51 Ca -0.16 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.75 3.53 0.05 1.61 0.40 0.75 -0.04 117.98 121.53 2jma s PHE 52 Ca 0.00 0.32 -0.03 0.00 -0.60 0.00 0.00 56.93 56.62 2jma s PHE 52 Cb 0.00 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 2jma s PHE 52 CO 0.00 0.60 0.03 0.14 0.70 0.00 0.00 175.22 176.69 2jma s VAL 53 N -1.45 0.18 0.15 -0.44 -7.23 -0.39 -2.00 120.40 109.21 2jma s VAL 53 Ca 0.33 -1.48 -0.31 0.00 -1.81 0.00 0.00 61.98 58.71 2jma s VAL 53 Cb -0.13 -1.24 -0.11 0.00 0.56 0.00 0.00 36.38 35.46 2jma s VAL 53 CO 0.24 -0.81 1.80 -2.84 -0.31 0.00 0.00 175.10 173.18 2jma s PRO 54 N -3.41 4.13 0.41 4.82 0.02 -1.26 -0.11 135.00 139.61 2jma s PRO 54 Ca 0.02 2.60 0.08 0.00 0.02 0.00 0.00 61.00 63.72 2jma s PRO 54 Cb 0.04 -3.44 0.87 0.00 0.02 0.00 0.00 34.50 31.99 2jma s PRO 54 CO -0.08 -0.82 2.03 0.00 -0.33 0.00 0.00 177.00 177.80 2jma h ALA 55 N 8.08 1.68 0.00 -1.55 0.00 -0.90 -0.21 119.26 126.36 2jma h ALA 55 Ca -0.45 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jma h ALA 55 Cb 1.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2jma h ALA 55 CO 0.95 0.27 0.00 0.00 0.00 0.00 0.00 179.25 180.47 2jma n ALA 56 N -2.49 1.89 0.73 0.00 0.00 -1.26 -1.80 120.51 117.57 2jma n ALA 56 Ca 0.01 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.48 2jma n ALA 56 Cb 0.12 -1.28 0.11 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 -1.35 0.11 -4.10 0.00 4.02 -0.09 -4.92 117.16 110.84 2jma n TYR 57 Ca 0.07 -0.06 -0.15 0.00 -0.01 0.00 0.00 57.90 57.75 2jma n TYR 57 Cb 0.15 -0.00 -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 -1.66 0.71 -0.01 -0.72 1.01 -0.75 -0.34 120.40 118.65 2jma s VAL 58 Ca 0.27 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2jma s VAL 58 Cb 0.18 -0.76 -0.00 0.00 0.00 0.00 0.00 36.38 35.80 2jma s VAL 58 CO 0.27 -0.34 -0.08 -0.75 0.00 0.00 0.00 175.10 174.20 2jma s LYS 59 N -1.65 0.67 -0.02 2.72 2.36 -0.22 -4.91 119.74 118.68 2jma s LYS 59 Ca -0.07 -0.28 -0.31 0.00 -2.55 0.00 0.00 55.97 52.76 2jma s LYS 59 Cb -0.10 -0.65 -0.09 0.00 -1.05 0.00 0.00 37.83 35.94 2jma s LYS 59 CO 0.01 0.15 1.99 1.63 1.55 0.00 0.00 175.35 180.68 2jma n LYS 60 N 2.97 2.62 0.21 4.03 4.01 -1.26 -0.50 118.16 130.24 2jma n LYS 60 Ca -0.14 0.94 0.11 0.00 -0.51 0.00 0.00 58.31 58.71 2jma n LYS 60 Cb 0.57 -2.96 0.28 0.00 -0.51 0.00 0.00 35.03 32.41 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 10.83 0.00 -0.94 -0.35 3.38 -1.55 -3.47 115.31 123.21 2jma h LEU 61 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2jma h LEU 61 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2jma h LEU 61 CO 0.95 0.15 0.00 -0.67 0.09 0.00 0.00 178.44 178.95