#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 -1.02 -2.93 6.12 -0.08 -1.26 -5.10 116.55 112.27 2jma n ASP 2 Ca 0.00 -2.36 -0.13 0.00 -1.51 0.00 0.00 54.79 50.79 2jma n ASP 2 Cb 0.00 1.89 0.04 0.00 2.34 0.00 0.00 41.12 45.39 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 -0.42 1.01 -2.90 -0.67 1.02 -1.26 -4.96 120.64 112.46 2jma n GLU 3 Ca 0.00 -2.62 -0.16 0.00 -0.02 0.00 0.00 57.16 54.36 2jma n GLU 3 Cb 0.43 -1.29 -0.01 0.00 -0.02 0.00 0.00 31.44 30.55 2jma n GLU 3 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2jma n THR 4 N 0.26 -0.69 -2.60 2.62 -2.24 -1.26 -4.87 114.28 105.50 2jma n THR 4 Ca 0.14 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.52 2jma n THR 4 Cb 0.69 -1.54 0.02 0.00 -2.10 0.00 0.00 70.33 67.41 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 -0.94 6.09 0.00 3.38 0.00 -1.26 -4.90 105.19 107.57 2jma n GLY 5 Ca -0.06 -2.58 0.00 0.00 0.00 0.00 0.00 46.02 43.38 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 -0.10 0.00 -1.69 1.61 2.85 -1.26 -5.12 118.16 114.46 2jma n LYS 6 Ca 0.47 0.00 -0.52 0.00 -1.05 0.00 0.00 58.31 57.21 2jma n LYS 6 Cb 0.26 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.59 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 1.69 -4.45 -1.58 0.00 -1.26 -4.89 120.64 110.15 2jma n GLU 7 Ca 0.00 0.62 -0.29 0.00 0.00 0.00 0.00 57.16 57.49 2jma n GLU 7 Cb 0.00 -2.38 -0.13 0.00 0.00 0.00 0.00 31.44 28.93 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 3.31 2.37 0.12 4.31 1.43 -1.26 0.18 118.68 129.14 2jma s LEU 8 Ca 0.93 -0.69 0.03 0.00 -1.03 0.00 0.00 54.13 53.37 2jma s LEU 8 Cb -0.86 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 2jma s LEU 8 CO 0.56 0.19 -0.09 0.68 0.23 0.00 0.00 176.35 177.92 2jma s VAL 9 N -1.04 0.94 -0.11 -1.59 -7.23 0.28 -1.91 120.40 109.73 2jma s VAL 9 Ca 0.14 -1.96 -0.01 0.00 -1.81 0.00 0.00 61.98 58.34 2jma s VAL 9 Cb -0.10 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 2jma s VAL 9 CO 0.06 -0.78 -0.07 -0.22 -0.31 0.00 0.00 175.10 173.78 2jma s LEU 10 N -3.03 3.13 -0.48 1.32 2.96 0.10 -0.78 118.68 121.89 2jma s LEU 10 Ca 0.13 -0.11 -0.26 0.00 -0.22 0.00 0.00 54.13 53.67 2jma s LEU 10 Cb 0.03 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 45.04 2jma s LEU 10 CO -0.02 0.25 0.97 0.00 -1.32 0.00 0.00 176.35 176.23 2jma s ALA 11 N -0.16 3.20 0.17 5.97 0.00 -0.70 -1.43 121.76 128.82 2jma s ALA 11 Ca 0.02 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.14 2jma s ALA 11 Cb -0.13 -3.70 0.05 0.00 0.00 0.00 0.00 23.12 19.34 2jma s ALA 11 CO 0.03 -2.15 1.45 -0.07 0.00 0.00 0.00 175.76 175.01 2jma h LEU 12 N 10.76 0.61 -8.86 0.00 4.07 -0.94 -1.88 115.31 119.07 2jma h LEU 12 Ca -0.24 -0.37 -0.34 0.00 0.08 0.00 0.00 57.88 57.01 2jma h LEU 12 Cb 1.07 -0.18 -0.14 0.00 1.08 0.00 0.00 40.66 42.49 2jma h LEU 12 CO 1.05 1.10 -0.61 -0.31 -1.08 0.00 0.00 178.44 178.60 2jma s TYR 13 N -3.80 1.50 0.06 1.13 2.02 -1.25 -4.74 117.35 112.27 2jma s TYR 13 Ca -0.07 -1.22 -0.25 0.00 -0.37 0.00 0.00 57.07 55.16 2jma s TYR 13 Cb 0.11 -0.86 -0.06 0.00 -0.40 0.00 0.00 41.96 40.75 2jma s TYR 13 CO 0.85 -0.38 0.78 0.16 -1.57 0.00 0.00 175.55 175.39 2jma s ASP 14 N -3.30 7.25 0.03 2.29 -4.77 -1.26 -3.58 116.67 113.33 2jma s ASP 14 Ca 0.38 1.49 0.01 0.00 -3.30 0.00 0.00 52.55 51.13 2jma s ASP 14 Cb 0.08 -2.48 -0.02 0.00 -1.09 0.00 0.00 42.92 39.41 2jma s ASP 14 CO 0.14 0.04 -0.06 -0.47 0.70 0.00 0.00 175.17 175.52 2jma s TYR 15 N -0.19 0.49 -0.07 2.11 5.04 -0.63 -4.97 117.35 119.12 2jma s TYR 15 Ca 0.39 -0.40 0.05 0.00 -2.44 0.00 0.00 57.07 54.66 2jma s TYR 15 Cb -0.21 -0.30 -0.00 0.00 0.35 0.00 0.00 41.96 41.79 2jma s TYR 15 CO 0.24 -0.09 -0.22 -1.14 -1.34 0.00 0.00 175.55 173.00 2jma s GLN 16 N -1.19 2.52 0.19 4.97 2.00 -1.26 -1.90 119.66 124.99 2jma s GLN 16 Ca -0.09 -0.79 -0.33 0.00 -2.00 0.00 0.00 55.36 52.16 2jma s GLN 16 Cb -0.08 -2.03 -0.13 0.00 0.80 0.00 0.00 33.01 31.57 2jma s GLN 16 CO -0.00 0.24 1.62 -0.85 -0.50 0.00 0.00 175.29 175.80 2jma n GLU 17 N 3.31 2.39 -0.11 1.67 0.28 -1.25 -4.91 120.64 122.02 2jma n GLU 17 Ca -0.19 0.86 -0.18 0.00 -0.16 0.00 0.00 57.16 57.49 2jma n GLU 17 Cb 0.52 -2.65 -0.12 0.00 1.43 0.00 0.00 31.44 30.62 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 3.50 0.67 -4.33 3.44 5.02 -1.26 -4.98 118.16 120.23 2jma n LYS 18 Ca 0.16 0.16 -0.25 0.00 -2.02 0.00 0.00 58.31 56.36 2jma n LYS 18 Cb 0.31 -1.55 -0.09 0.00 -0.02 0.00 0.00 35.03 33.68 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 -6.57 4.20 0.00 4.39 1.04 -1.26 -5.01 113.70 110.49 2jma s SER 19 Ca -0.32 -1.13 0.06 0.00 0.48 0.00 0.00 55.95 55.05 2jma s SER 19 Cb 0.08 -0.47 0.31 0.00 0.10 0.00 0.00 66.02 66.04 2jma s SER 19 CO 0.64 -0.42 1.07 -2.65 0.98 0.00 0.00 173.24 172.86 2jma n PRO 20 N -1.07 0.08 -0.35 4.02 -0.02 -1.26 -1.15 135.00 135.24 2jma n PRO 20 Ca -0.03 0.25 0.08 0.00 -2.02 0.00 0.00 63.50 61.77 2jma n PRO 20 Cb 0.64 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.86 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 -1.31 2.60 -2.62 3.55 0.00 -1.26 -4.98 120.51 116.49 2jma n ALA 21 Ca 0.03 -1.57 -0.23 0.00 0.00 0.00 0.00 53.44 51.66 2jma n ALA 21 Cb 0.05 -0.65 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.68 2.21 0.09 0.00 2.02 -0.30 -0.76 118.70 120.28 2jma s GLU 22 Ca 0.35 -1.44 0.05 0.00 0.02 0.00 0.00 54.97 53.95 2jma s GLU 22 Cb 0.23 -2.12 -0.03 0.00 0.10 0.00 0.00 34.13 32.31 2jma s GLU 22 CO 0.17 0.37 -0.13 0.14 0.02 0.00 0.00 175.26 175.82 2jma s VAL 23 N -2.29 1.12 -0.12 2.63 -7.23 -0.98 -4.63 120.40 108.90 2jma s VAL 23 Ca 0.31 -1.51 -0.14 0.00 -1.81 0.00 0.00 61.98 58.82 2jma s VAL 23 Cb -0.06 -1.28 -0.05 0.00 0.56 0.00 0.00 36.38 35.55 2jma s VAL 23 CO 0.19 -0.37 0.33 -0.89 -0.31 0.00 0.00 175.10 174.05 2jma s THR 24 N -1.84 5.25 0.19 5.32 2.01 -1.26 -3.86 115.64 121.45 2jma s THR 24 Ca 0.03 0.64 0.04 0.00 0.31 0.00 0.00 61.69 62.70 2jma s THR 24 Cb -0.07 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 2jma s THR 24 CO 0.02 0.44 -0.04 0.00 -0.69 0.00 0.00 174.62 174.35 2jma s MET 25 N 0.04 1.20 0.06 4.92 0.23 -0.80 -4.94 119.30 120.02 2jma s MET 25 Ca 0.19 -1.57 0.05 0.00 -1.03 0.00 0.00 55.69 53.33 2jma s MET 25 Cb -0.14 -0.55 -0.03 0.00 -1.53 0.00 0.00 34.83 32.58 2jma s MET 25 CO 0.07 -0.05 -0.13 0.15 -2.03 0.00 0.00 175.02 173.03 2jma s LYS 26 N -3.83 0.80 0.08 3.16 3.01 -1.26 -1.60 119.74 120.09 2jma s LYS 26 Ca 0.24 -0.90 -0.31 0.00 -1.01 0.00 0.00 55.97 53.98 2jma s LYS 26 Cb 0.05 -0.78 -0.11 0.00 -1.01 0.00 0.00 37.83 35.98 2jma s LYS 26 CO 0.05 0.17 1.87 1.17 0.51 0.00 0.00 175.35 179.12 2jma n LYS 27 N 1.39 2.72 0.00 1.68 3.00 -1.23 -1.62 118.16 124.09 2jma n LYS 27 Ca -0.21 0.99 0.00 0.00 -0.00 0.00 0.00 58.31 59.09 2jma n LYS 27 Cb 0.54 -2.89 0.00 0.00 0.00 0.00 0.00 35.03 32.68 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 4.29 0.64 3.84 3.14 0.00 -0.71 -5.00 105.19 111.39 2jma n GLY 28 Ca 0.19 0.00 -0.36 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 -1.98 6.86 -0.39 1.61 -1.08 -0.64 -4.91 116.67 116.14 2jma s ASP 29 Ca 0.00 1.09 -0.14 0.00 -0.52 0.00 0.00 52.55 52.97 2jma s ASP 29 Cb 0.00 -2.29 0.01 0.00 -1.46 0.00 0.00 42.92 39.17 2jma s ASP 29 CO 0.00 0.15 0.28 -0.63 0.52 0.00 0.00 175.17 175.49 2jma s ILE 30 N -1.38 5.27 0.11 4.11 1.09 -1.26 -1.72 121.20 127.42 2jma s ILE 30 Ca 0.35 -0.50 -0.04 0.00 -1.10 0.00 0.00 60.65 59.36 2jma s ILE 30 Cb -0.16 -3.86 -0.05 0.00 -1.06 0.00 0.00 42.46 37.33 2jma s ILE 30 CO 0.19 -0.21 0.32 -0.76 -0.10 0.00 0.00 174.94 174.38 2jma s LEU 31 N 1.70 4.30 -0.25 2.97 2.01 0.04 -4.92 118.68 124.52 2jma s LEU 31 Ca 0.05 0.51 -0.12 0.00 0.01 0.00 0.00 54.13 54.58 2jma s LEU 31 Cb -0.18 -3.16 -0.05 0.00 0.01 0.00 0.00 46.19 42.81 2jma s LEU 31 CO 0.10 0.10 0.24 -0.89 1.01 0.00 0.00 176.35 176.91 2jma s THR 32 N -1.59 5.29 -0.16 5.49 2.01 -1.17 -0.56 115.64 124.96 2jma s THR 32 Ca 0.38 0.33 -0.29 0.00 0.31 0.00 0.00 61.69 62.42 2jma s THR 32 Cb -0.12 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 2jma s THR 32 CO 0.25 0.28 1.22 -0.76 -0.69 0.00 0.00 174.62 174.91 2jma s LEU 33 N 1.44 4.18 -0.22 4.42 1.43 0.13 -1.57 118.68 128.49 2jma s LEU 33 Ca 0.10 1.66 0.03 0.00 -1.03 0.00 0.00 54.13 54.89 2jma s LEU 33 Cb -0.15 -3.54 -0.15 0.00 0.03 0.00 0.00 46.19 42.38 2jma s LEU 33 CO 0.08 -0.72 -0.18 0.18 0.23 0.00 0.00 176.35 175.94 2jma n LEU 34 N 6.36 2.73 -3.70 1.79 4.77 0.63 -4.57 117.00 125.02 2jma n LEU 34 Ca 0.13 -0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 2jma n LEU 34 Cb 0.45 -0.68 -0.09 0.00 -2.33 0.00 0.00 43.42 40.77 2jma n LEU 34 CO 0.55 0.84 0.16 0.21 -1.33 0.00 0.00 177.39 177.82 2jma s ASN 35 N -6.08 -0.52 -0.09 -1.43 3.84 -0.84 -4.99 114.94 104.83 2jma s ASN 35 Ca -0.28 0.99 0.24 0.00 0.21 0.00 0.00 52.86 54.02 2jma s ASN 35 Cb 0.08 0.98 0.46 0.00 -0.55 0.00 0.00 41.25 42.21 2jma s ASN 35 CO 0.53 -0.17 1.15 -1.54 -2.79 0.00 0.00 177.10 174.28 2jma n SER 36 N 3.04 1.26 0.00 -4.21 3.41 -1.26 -0.74 113.62 115.11 2jma n SER 36 Ca -0.15 -2.10 0.11 0.00 -0.26 0.00 0.00 58.87 56.48 2jma n SER 36 Cb 0.57 -0.36 0.57 0.00 -0.26 0.00 0.00 64.21 64.72 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 0.09 0.29 -4.21 6.66 5.66 -1.26 -4.68 114.28 116.82 2jma n THR 37 Ca 0.07 0.07 -0.32 0.00 -3.05 0.00 0.00 64.05 60.82 2jma n THR 37 Cb 1.02 -0.69 -0.08 0.00 -1.55 0.00 0.00 70.33 69.04 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 -2.62 5.26 0.00 1.09 3.84 -1.26 -5.02 114.94 116.22 2jma s ASN 38 Ca 0.21 0.00 0.24 0.00 0.21 0.00 0.00 52.86 53.52 2jma s ASN 38 Cb 0.15 -1.39 0.35 0.00 -0.55 0.00 0.00 41.25 39.81 2jma s ASN 38 CO 0.36 0.26 1.31 2.29 -2.79 0.00 0.00 177.10 178.53 2jma n LYS 39 N 1.17 0.95 0.00 0.43 2.85 -1.26 -4.31 118.16 117.98 2jma n LYS 39 Ca -0.13 -0.69 0.00 0.00 -1.05 0.00 0.00 58.31 56.44 2jma n LYS 39 Cb 0.52 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.42 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 -0.43 4.72 -3.98 -5.58 8.00 -1.26 -4.81 116.55 113.22 2jma n ASP 40 Ca 0.10 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.38 2jma n ASP 40 Cb 0.40 0.85 -0.16 0.00 -0.02 0.00 0.00 41.12 42.19 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 -1.90 1.15 -0.06 1.24 0.52 -1.26 -0.29 118.94 118.34 2jma s TRP 41 Ca 0.00 -0.38 0.06 0.00 0.02 0.00 0.00 56.10 55.80 2jma s TRP 41 Cb 0.00 -0.88 -0.01 0.00 -1.15 0.00 0.00 33.47 31.43 2jma s TRP 41 CO 0.00 -0.22 -0.24 -1.58 0.02 0.00 0.00 176.95 174.93 2jma s TRP 42 N 0.64 2.36 -0.21 -1.98 0.52 0.57 -4.14 118.94 116.72 2jma s TRP 42 Ca -0.12 -0.72 -0.22 0.00 0.02 0.00 0.00 56.10 55.06 2jma s TRP 42 Cb -0.14 -1.56 -0.02 0.00 -1.15 0.00 0.00 33.47 30.60 2jma s TRP 42 CO 0.02 -0.23 0.69 0.21 0.02 0.00 0.00 176.95 177.66 2jma s LYS 43 N -0.11 4.21 0.27 4.98 2.20 0.08 -0.91 119.74 130.45 2jma s LYS 43 Ca -0.05 0.71 0.02 0.00 -0.36 0.00 0.00 55.97 56.29 2jma s LYS 43 Cb -0.14 -3.60 -0.05 0.00 -1.51 0.00 0.00 37.83 32.54 2jma s LYS 43 CO 0.04 -0.32 0.12 0.14 -0.36 0.00 0.00 175.35 174.97 2jma s VAL 44 N 2.16 0.46 -0.10 4.02 -7.23 0.80 -0.27 120.40 120.25 2jma s VAL 44 Ca 0.31 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.50 2jma s VAL 44 Cb -0.16 -2.59 0.01 0.00 0.56 0.00 0.00 36.38 34.20 2jma s VAL 44 CO 0.10 0.00 -0.17 -0.70 -0.31 0.00 0.00 175.10 174.02 2jma s GLU 45 N -3.98 2.39 -0.17 4.82 2.12 -0.61 -1.43 118.70 121.85 2jma s GLU 45 Ca 0.37 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 55.07 2jma s GLU 45 Cb 0.07 -1.95 0.02 0.00 0.26 0.00 0.00 34.13 32.53 2jma s GLU 45 CO 0.15 0.01 -0.19 0.14 -0.54 0.00 0.00 175.26 174.83 2jma s VAL 46 N 0.76 1.93 0.00 3.70 -7.23 0.01 -3.05 120.40 116.53 2jma s VAL 46 Ca -0.11 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 2jma s VAL 46 Cb -0.16 -1.76 0.00 0.00 0.56 0.00 0.00 36.38 35.02 2jma s VAL 46 CO 0.02 0.52 0.00 -0.46 -0.31 0.00 0.00 175.10 174.87 2jma n ASN 47 N 4.65 0.00 0.00 4.85 0.23 -1.26 0.06 115.26 123.80 2jma n ASN 47 Ca -0.20 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.85 2jma n ASN 47 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 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 0.33 0.00 -4.65 0.53 2.03 -1.26 -4.99 116.55 108.54 2jma n ASP 48 Ca 0.00 -0.19 -0.39 0.00 0.52 0.00 0.00 54.79 54.73 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 4.16 -0.22 -0.67 1.81 0.11 -4.69 118.95 119.45 2jma s ARG 49 Ca 0.00 0.38 -0.07 0.00 -1.72 0.00 0.00 55.73 54.32 2jma s ARG 49 Cb 0.00 -3.59 -0.03 0.00 -0.45 0.00 0.00 34.95 30.88 2jma s ARG 49 CO 0.00 -0.20 0.06 -0.65 -0.68 0.00 0.00 175.30 173.83 2jma s GLN 50 N 1.81 3.76 0.00 3.54 -0.21 -1.26 -0.81 119.66 126.49 2jma s GLN 50 Ca 0.23 -0.44 0.00 0.00 0.02 0.00 0.00 55.36 55.17 2jma s GLN 50 Cb -0.15 -3.25 0.00 0.00 1.00 0.00 0.00 33.01 30.60 2jma s GLN 50 CO 0.09 0.00 0.00 0.41 -2.12 0.00 0.00 175.29 173.67 2jma n GLY 51 N 4.35 0.69 3.88 3.09 0.00 -0.51 -4.84 105.19 111.84 2jma n GLY 51 Ca -0.16 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.27 3.44 0.05 1.61 0.40 0.06 -0.14 117.98 120.13 2jma s PHE 52 Ca 0.00 0.24 -0.01 0.00 -0.60 0.00 0.00 56.93 56.55 2jma s PHE 52 Cb 0.00 -1.75 -0.03 0.00 0.51 0.00 0.00 43.02 41.75 2jma s PHE 52 CO 0.00 0.59 -0.01 0.14 0.70 0.00 0.00 175.22 176.63 2jma s VAL 53 N -1.42 0.20 0.13 -0.44 -7.23 -0.09 -2.31 120.40 109.24 2jma s VAL 53 Ca 0.31 -1.62 -0.31 0.00 -1.81 0.00 0.00 61.98 58.55 2jma s VAL 53 Cb -0.13 -1.30 -0.10 0.00 0.56 0.00 0.00 36.38 35.40 2jma s VAL 53 CO 0.24 -0.89 1.81 -2.84 -0.31 0.00 0.00 175.10 173.10 2jma s PRO 54 N -3.51 4.14 0.53 4.82 0.02 -1.26 -0.31 135.00 139.43 2jma s PRO 54 Ca 0.03 2.58 0.25 0.00 0.02 0.00 0.00 61.00 63.89 2jma s PRO 54 Cb 0.05 -3.52 1.50 0.00 0.02 0.00 0.00 34.50 32.55 2jma s PRO 54 CO -0.09 -0.82 2.14 0.00 -0.33 0.00 0.00 177.00 177.90 2jma h ALA 55 N 8.33 1.51 0.00 -1.55 0.00 -0.95 0.46 119.26 127.05 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 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jma h ALA 55 CO 0.95 0.09 0.00 0.00 0.00 0.00 0.00 179.25 180.29 2jma n ALA 56 N -2.36 2.17 0.87 0.00 0.00 -1.26 -2.44 120.51 117.50 2jma n ALA 56 Ca -0.02 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.42 2jma n ALA 56 Cb 0.17 -1.39 0.10 0.00 0.00 0.00 0.00 19.45 18.32 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 -1.39 0.03 -4.13 0.00 4.02 0.15 -4.94 117.16 110.90 2jma n TYR 57 Ca 0.09 -0.02 -0.16 0.00 -0.01 0.00 0.00 57.90 57.80 2jma n TYR 57 Cb 0.23 -0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.44 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 -1.80 0.91 -0.01 -0.72 1.01 -1.02 -0.24 120.40 118.52 2jma s VAL 58 Ca 0.26 -1.25 0.02 0.00 0.00 0.00 0.00 61.98 61.02 2jma s VAL 58 Cb 0.18 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.64 2jma s VAL 58 CO 0.28 -0.30 -0.07 -0.75 0.00 0.00 0.00 175.10 174.26 2jma s LYS 59 N -1.74 0.65 0.09 2.72 2.36 -0.51 -4.91 119.74 118.41 2jma s LYS 59 Ca -0.04 -0.23 -0.32 0.00 -2.55 0.00 0.00 55.97 52.83 2jma s LYS 59 Cb -0.10 -0.64 -0.12 0.00 -1.05 0.00 0.00 37.83 35.93 2jma s LYS 59 CO 0.02 0.10 1.78 1.63 1.55 0.00 0.00 175.35 180.43 2jma n LYS 60 N 3.17 2.52 0.19 4.03 4.01 -1.26 -0.73 118.16 130.08 2jma n LYS 60 Ca -0.16 0.91 0.06 0.00 -0.51 0.00 0.00 58.31 58.62 2jma n LYS 60 Cb 0.56 -2.77 0.28 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 8.00 0.00 0.00 -0.35 3.38 -1.72 -3.46 115.31 121.16 2jma h LEU 61 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2jma h LEU 61 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2jma h LEU 61 CO 0.93 0.35 0.00 -0.67 0.09 0.00 0.00 178.44 179.15