#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 -2.89 7.83 2.03 -1.26 -5.10 116.55 116.91 2jma n ASP 2 Ca 0.00 -1.85 -0.12 0.00 0.52 0.00 0.00 54.79 53.34 2jma n ASP 2 Cb 0.00 0.64 0.05 0.00 -0.72 0.00 0.00 41.12 41.09 2jma n ASP 2 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2jma n GLU 3 N -0.25 1.03 -4.17 -0.67 2.13 -1.26 -4.96 120.64 112.49 2jma n GLU 3 Ca 0.03 -2.53 -0.35 0.00 0.66 0.00 0.00 57.16 54.97 2jma n GLU 3 Cb 0.23 -1.19 -0.02 0.00 0.27 0.00 0.00 31.44 30.74 2jma n GLU 3 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2jma n THR 4 N 0.20 -1.30 -2.83 6.31 -2.24 -1.26 -4.89 114.28 108.27 2jma n THR 4 Ca 0.12 -0.05 -0.34 0.00 -2.27 0.00 0.00 64.05 61.52 2jma n THR 4 Cb 0.71 -1.89 -0.01 0.00 -2.10 0.00 0.00 70.33 67.03 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 -1.48 5.81 0.00 3.38 0.00 -1.26 -4.96 105.19 106.68 2jma n GLY 5 Ca 0.04 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.08 0.00 -1.69 1.61 2.85 -1.26 -5.11 118.16 114.48 2jma n LYS 6 Ca 0.38 0.00 -0.55 0.00 -1.05 0.00 0.00 58.31 57.09 2jma n LYS 6 Cb 0.33 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.65 2jma n LYS 6 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2jma n GLU 7 N 0.00 1.36 -4.37 -1.58 -0.58 -1.26 -4.86 120.64 109.36 2jma n GLU 7 Ca 0.00 0.50 -0.30 0.00 -0.42 0.00 0.00 57.16 56.94 2jma n GLU 7 Cb 0.00 -2.20 -0.12 0.00 -0.57 0.00 0.00 31.44 28.55 2jma n GLU 7 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2jma s LEU 8 N 3.06 2.65 0.11 -4.62 1.43 -1.26 0.66 118.68 120.70 2jma s LEU 8 Ca 0.95 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 2jma s LEU 8 Cb -0.98 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 2jma s LEU 8 CO 0.59 0.19 -0.05 0.68 0.23 0.00 0.00 176.35 177.99 2jma s VAL 9 N -1.10 0.66 -0.09 -1.59 -7.23 0.52 -1.49 120.40 110.09 2jma s VAL 9 Ca 0.17 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 2jma s VAL 9 Cb -0.10 -1.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 2jma s VAL 9 CO 0.09 -0.79 -0.09 -0.22 -0.31 0.00 0.00 175.10 173.78 2jma s LEU 10 N -3.07 3.03 -0.51 1.32 2.96 0.27 -0.43 118.68 122.25 2jma s LEU 10 Ca 0.14 -0.12 -0.26 0.00 -0.22 0.00 0.00 54.13 53.67 2jma s LEU 10 Cb 0.06 -1.67 0.03 0.00 0.50 0.00 0.00 46.19 45.11 2jma s LEU 10 CO -0.03 0.30 1.03 0.00 -1.32 0.00 0.00 176.35 176.33 2jma s ALA 11 N -0.41 3.15 0.21 5.97 0.00 -0.50 -1.59 121.76 128.58 2jma s ALA 11 Ca 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2jma s ALA 11 Cb -0.12 -3.80 0.17 0.00 0.00 0.00 0.00 23.12 19.36 2jma s ALA 11 CO 0.02 -2.32 1.52 -0.07 0.00 0.00 0.00 175.76 174.92 2jma h LEU 12 N 11.10 0.46 -8.59 0.00 4.07 -1.07 -2.37 115.31 118.91 2jma h LEU 12 Ca -0.25 -0.26 -0.24 0.00 0.08 0.00 0.00 57.88 57.22 2jma h LEU 12 Cb 1.07 -0.13 -0.15 0.00 1.08 0.00 0.00 40.66 42.53 2jma h LEU 12 CO 1.10 0.94 -0.62 -0.31 -1.08 0.00 0.00 178.44 178.47 2jma s TYR 13 N -3.86 1.15 0.15 1.13 2.02 -1.25 -4.83 117.35 111.86 2jma s TYR 13 Ca -0.06 -1.35 -0.28 0.00 -0.37 0.00 0.00 57.07 55.02 2jma s TYR 13 Cb 0.11 -0.57 -0.07 0.00 -0.40 0.00 0.00 41.96 41.03 2jma s TYR 13 CO 0.82 -0.60 0.87 0.16 -1.57 0.00 0.00 175.55 175.23 2jma s ASP 14 N -3.16 7.46 -0.01 2.29 -4.77 -1.26 -3.78 116.67 113.43 2jma s ASP 14 Ca 0.37 1.73 -0.02 0.00 -3.30 0.00 0.00 52.55 51.33 2jma s ASP 14 Cb 0.07 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.36 2jma s ASP 14 CO 0.11 0.09 0.04 -0.47 0.70 0.00 0.00 175.17 175.64 2jma s TYR 15 N -0.65 -0.03 -0.07 2.11 5.04 -0.23 -4.97 117.35 118.54 2jma s TYR 15 Ca 0.41 0.09 0.05 0.00 -2.44 0.00 0.00 57.07 55.17 2jma s TYR 15 Cb -0.23 0.01 -0.01 0.00 0.35 0.00 0.00 41.96 42.07 2jma s TYR 15 CO 0.28 -0.03 -0.21 -1.14 -1.34 0.00 0.00 175.55 173.11 2jma s GLN 16 N -0.06 2.69 0.20 4.97 2.00 -1.26 -0.80 119.66 127.40 2jma s GLN 16 Ca -0.01 -0.83 -0.32 0.00 -2.00 0.00 0.00 55.36 52.20 2jma s GLN 16 Cb -0.01 -2.29 -0.13 0.00 0.80 0.00 0.00 33.01 31.38 2jma s GLN 16 CO 0.00 0.40 1.54 -0.85 -0.50 0.00 0.00 175.29 175.88 2jma n GLU 17 N 2.93 2.24 -0.09 1.67 0.28 -1.26 -4.89 120.64 121.52 2jma n GLU 17 Ca -0.18 0.80 -0.08 0.00 -0.16 0.00 0.00 57.16 57.55 2jma n GLU 17 Cb 0.52 -2.55 -0.15 0.00 1.43 0.00 0.00 31.44 30.69 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 2.92 0.89 -4.41 3.44 5.02 -1.26 -4.98 118.16 119.76 2jma n LYS 18 Ca 0.14 -0.02 -0.20 0.00 -2.02 0.00 0.00 58.31 56.21 2jma n LYS 18 Cb 0.31 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.73 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 -5.24 2.13 0.00 4.39 1.04 -1.26 -5.02 113.70 109.73 2jma s SER 19 Ca -0.09 -1.36 0.06 0.00 0.48 0.00 0.00 55.95 55.04 2jma s SER 19 Cb 0.06 -0.03 0.27 0.00 0.10 0.00 0.00 66.02 66.42 2jma s SER 19 CO 0.78 -0.61 1.17 -2.65 0.98 0.00 0.00 173.24 172.91 2jma n PRO 20 N -0.62 0.02 -0.61 4.02 -0.02 -1.26 -1.48 135.00 135.05 2jma n PRO 20 Ca -0.02 0.36 0.08 0.00 -2.02 0.00 0.00 63.50 61.91 2jma n PRO 20 Cb 0.66 -1.50 0.33 0.00 -0.02 0.00 0.00 33.50 32.97 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 -1.46 3.19 -2.42 3.55 0.00 -1.26 -4.95 120.51 117.15 2jma n ALA 21 Ca 0.02 -1.81 -0.22 0.00 0.00 0.00 0.00 53.44 51.43 2jma n ALA 21 Cb 0.07 -0.92 -0.10 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 -2.23 1.50 0.05 0.00 2.02 -0.55 -0.29 118.70 119.20 2jma s GLU 22 Ca 0.47 -1.65 0.04 0.00 0.02 0.00 0.00 54.97 53.86 2jma s GLU 22 Cb 0.34 -1.51 -0.02 0.00 0.10 0.00 0.00 34.13 33.04 2jma s GLU 22 CO 0.18 0.28 -0.13 0.14 0.02 0.00 0.00 175.26 175.75 2jma s VAL 23 N -2.55 0.99 0.01 2.63 -7.23 -0.93 -4.64 120.40 108.69 2jma s VAL 23 Ca 0.25 -1.07 -0.25 0.00 -1.81 0.00 0.00 61.98 59.10 2jma s VAL 23 Cb -0.04 -0.94 -0.05 0.00 0.56 0.00 0.00 36.38 35.92 2jma s VAL 23 CO 0.11 -0.12 0.78 -0.89 -0.31 0.00 0.00 175.10 174.67 2jma s THR 24 N -1.03 4.82 0.14 5.32 2.01 -1.26 -4.10 115.64 121.55 2jma s THR 24 Ca -0.01 1.65 0.06 0.00 0.31 0.00 0.00 61.69 63.70 2jma s THR 24 Cb -0.09 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 2jma s THR 24 CO 0.01 0.31 -0.13 0.00 -0.69 0.00 0.00 174.62 174.12 2jma s MET 25 N 0.30 1.08 0.05 4.92 0.23 0.02 -4.92 119.30 120.98 2jma s MET 25 Ca 0.40 -1.36 0.07 0.00 -1.03 0.00 0.00 55.69 53.78 2jma s MET 25 Cb -0.20 -0.85 -0.03 0.00 -1.53 0.00 0.00 34.83 32.23 2jma s MET 25 CO 0.23 0.14 -0.20 0.15 -2.03 0.00 0.00 175.02 173.31 2jma s LYS 26 N -3.16 1.33 0.00 3.16 3.01 -1.26 -1.07 119.74 121.75 2jma s LYS 26 Ca 0.13 -0.95 -0.33 0.00 -1.01 0.00 0.00 55.97 53.81 2jma s LYS 26 Cb -0.02 -1.45 -0.12 0.00 -1.01 0.00 0.00 37.83 35.23 2jma s LYS 26 CO 0.03 0.37 1.81 1.17 0.51 0.00 0.00 175.35 179.24 2jma n LYS 27 N 1.78 2.29 0.00 1.68 3.00 -1.25 -1.63 118.16 124.04 2jma n LYS 27 Ca -0.17 0.84 0.00 0.00 -0.00 0.00 0.00 58.31 58.97 2jma n LYS 27 Cb 0.53 -2.68 0.00 0.00 0.00 0.00 0.00 35.03 32.88 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 4.17 0.62 3.88 3.14 0.00 -0.89 -5.00 105.19 111.10 2jma n GLY 28 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.25 6.59 -0.35 1.61 -1.08 -0.64 -4.91 116.67 115.64 2jma s ASP 29 Ca 0.00 0.73 -0.14 0.00 -0.52 0.00 0.00 52.55 52.62 2jma s ASP 29 Cb 0.00 -2.15 -0.01 0.00 -1.46 0.00 0.00 42.92 39.30 2jma s ASP 29 CO 0.00 0.12 0.28 -0.63 0.52 0.00 0.00 175.17 175.47 2jma s ILE 30 N -1.50 5.25 0.10 4.11 1.09 -1.26 -1.42 121.20 127.57 2jma s ILE 30 Ca 0.36 -0.19 -0.03 0.00 -1.10 0.00 0.00 60.65 59.68 2jma s ILE 30 Cb -0.13 -3.77 -0.05 0.00 -1.06 0.00 0.00 42.46 37.45 2jma s ILE 30 CO 0.20 -0.07 0.31 -0.76 -0.10 0.00 0.00 174.94 174.52 2jma s LEU 31 N 1.81 4.31 -0.27 2.97 2.01 0.43 -4.92 118.68 125.01 2jma s LEU 31 Ca 0.08 0.48 -0.11 0.00 0.01 0.00 0.00 54.13 54.59 2jma s LEU 31 Cb -0.17 -3.13 -0.05 0.00 0.01 0.00 0.00 46.19 42.85 2jma s LEU 31 CO 0.11 0.11 0.18 -0.89 1.01 0.00 0.00 176.35 176.87 2jma s THR 32 N -1.57 5.27 -0.16 5.49 2.01 -1.19 -0.35 115.64 125.14 2jma s THR 32 Ca 0.38 0.15 -0.29 0.00 0.31 0.00 0.00 61.69 62.24 2jma s THR 32 Cb -0.13 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 2jma s THR 32 CO 0.25 0.27 1.34 -0.76 -0.69 0.00 0.00 174.62 175.03 2jma s LEU 33 N 1.65 4.17 -0.22 4.42 1.43 0.21 -1.65 118.68 128.69 2jma s LEU 33 Ca 0.07 1.74 0.06 0.00 -1.03 0.00 0.00 54.13 54.98 2jma s LEU 33 Cb -0.16 -3.54 -0.18 0.00 0.03 0.00 0.00 46.19 42.35 2jma s LEU 33 CO 0.10 -0.83 -0.13 0.18 0.23 0.00 0.00 176.35 175.90 2jma n LEU 34 N 6.84 2.08 -3.69 1.79 4.77 0.98 -4.44 117.00 125.33 2jma n LEU 34 Ca 0.15 -0.09 -0.14 0.00 -0.03 0.00 0.00 56.01 55.90 2jma n LEU 34 Cb 0.45 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 2jma n LEU 34 CO 0.58 0.77 0.23 0.21 -1.33 0.00 0.00 177.39 177.85 2jma s ASN 35 N -6.01 -0.57 -0.15 -1.43 3.84 -0.84 -4.99 114.94 104.80 2jma s ASN 35 Ca -0.25 1.09 0.23 0.00 0.21 0.00 0.00 52.86 54.13 2jma s ASN 35 Cb 0.07 1.10 0.45 0.00 -0.55 0.00 0.00 41.25 42.33 2jma s ASN 35 CO 0.62 -0.19 1.15 -1.54 -2.79 0.00 0.00 177.10 174.35 2jma n SER 36 N 2.77 1.06 0.00 -4.21 3.41 -1.26 -0.60 113.62 114.79 2jma n SER 36 Ca -0.14 -2.02 0.10 0.00 -0.26 0.00 0.00 58.87 56.56 2jma n SER 36 Cb 0.56 -0.31 0.49 0.00 -0.26 0.00 0.00 64.21 64.69 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 -0.19 0.47 -4.07 6.66 5.66 -1.26 -4.70 114.28 116.85 2jma n THR 37 Ca 0.04 0.12 -0.29 0.00 -3.05 0.00 0.00 64.05 60.86 2jma n THR 37 Cb 0.94 -0.75 -0.06 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 5.46 0.00 1.09 3.84 -1.26 -5.03 114.94 116.19 2jma s ASN 38 Ca 0.14 -0.06 0.21 0.00 0.21 0.00 0.00 52.86 53.35 2jma s ASN 38 Cb 0.14 -1.43 -0.18 0.00 -0.55 0.00 0.00 41.25 39.23 2jma s ASN 38 CO 0.37 0.15 0.92 2.29 -2.79 0.00 0.00 177.10 178.03 2jma n LYS 39 N 0.28 0.39 -0.01 0.43 2.85 -1.26 -4.38 118.16 116.46 2jma n LYS 39 Ca -0.09 -0.20 0.03 0.00 -1.05 0.00 0.00 58.31 57.00 2jma n LYS 39 Cb 0.52 -1.47 -0.05 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 -1.19 3.41 -3.87 -5.58 8.00 -1.26 -4.71 116.55 111.35 2jma n ASP 40 Ca 0.05 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.36 2jma n ASP 40 Cb 0.35 1.27 -0.16 0.00 -0.02 0.00 0.00 41.12 42.56 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 -2.46 0.59 -0.04 1.24 0.52 -1.26 -0.30 118.94 117.23 2jma s TRP 41 Ca -0.03 -0.13 0.06 0.00 0.02 0.00 0.00 56.10 56.02 2jma s TRP 41 Cb 0.04 -0.57 -0.01 0.00 -1.15 0.00 0.00 33.47 31.78 2jma s TRP 41 CO 0.29 -0.17 -0.24 -1.58 0.02 0.00 0.00 176.95 175.27 2jma s TRP 42 N 0.95 2.24 -0.20 -1.98 0.52 0.90 -4.10 118.94 117.26 2jma s TRP 42 Ca -0.11 -0.58 -0.21 0.00 0.02 0.00 0.00 56.10 55.21 2jma s TRP 42 Cb -0.14 -1.46 -0.02 0.00 -1.15 0.00 0.00 33.47 30.69 2jma s TRP 42 CO -0.00 -0.15 0.66 0.21 0.02 0.00 0.00 176.95 177.69 2jma s LYS 43 N -0.27 4.21 0.23 4.98 2.20 0.23 -0.40 119.74 130.93 2jma s LYS 43 Ca 0.01 0.67 0.01 0.00 -0.36 0.00 0.00 55.97 56.29 2jma s LYS 43 Cb -0.12 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.56 2jma s LYS 43 CO 0.02 -0.28 0.10 0.14 -0.36 0.00 0.00 175.35 174.97 2jma s VAL 44 N 2.05 0.40 -0.11 4.02 -7.23 0.87 -0.01 120.40 120.39 2jma s VAL 44 Ca 0.30 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.50 2jma s VAL 44 Cb -0.16 -2.55 0.01 0.00 0.56 0.00 0.00 36.38 34.24 2jma s VAL 44 CO 0.10 -0.04 -0.20 -0.70 -0.31 0.00 0.00 175.10 173.95 2jma s GLU 45 N -4.06 2.72 -0.17 4.82 2.12 -0.66 -1.47 118.70 122.00 2jma s GLU 45 Ca 0.37 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.95 2jma s GLU 45 Cb 0.07 -2.16 0.01 0.00 0.26 0.00 0.00 34.13 32.31 2jma s GLU 45 CO 0.12 0.06 -0.17 0.08 -0.54 0.00 0.00 175.26 174.81 2jma s VAL 46 N 0.65 2.44 0.00 3.70 1.01 0.20 -3.14 120.40 125.26 2jma s VAL 46 Ca -0.12 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2jma s VAL 46 Cb -0.16 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.19 2jma s VAL 46 CO 0.03 0.52 0.00 -0.46 0.00 0.00 0.00 175.10 175.19 2jma n ASN 47 N 4.31 0.00 0.00 3.32 0.23 -1.26 0.04 115.26 121.90 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 0.51 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 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 0.08 0.00 -4.71 0.53 2.03 -1.26 -5.03 116.55 108.19 2jma n ASP 48 Ca 0.00 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 2jma n ASP 48 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 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 4.32 -0.09 -0.67 1.81 0.11 -4.57 118.95 119.86 2jma s ARG 49 Ca 0.00 0.48 -0.02 0.00 -1.72 0.00 0.00 55.73 54.47 2jma s ARG 49 Cb 0.00 -3.46 -0.03 0.00 -0.45 0.00 0.00 34.95 31.00 2jma s ARG 49 CO 0.00 0.09 0.01 -0.65 -0.68 0.00 0.00 175.30 174.06 2jma s GLN 50 N 0.85 3.01 0.00 3.54 -0.21 -1.26 -0.62 119.66 124.97 2jma s GLN 50 Ca 0.26 -0.40 0.00 0.00 0.02 0.00 0.00 55.36 55.25 2jma s GLN 50 Cb -0.15 -2.81 0.00 0.00 1.00 0.00 0.00 33.01 31.05 2jma s GLN 50 CO 0.11 0.70 0.00 0.41 -2.12 0.00 0.00 175.29 174.38 2jma n GLY 51 N 2.16 -1.54 3.90 3.09 0.00 -0.54 -4.77 105.19 107.49 2jma n GLY 51 Ca -0.19 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.63 3.52 0.05 1.61 0.40 0.61 -0.09 117.98 121.45 2jma s PHE 52 Ca 0.00 0.48 -0.00 0.00 -0.60 0.00 0.00 56.93 56.80 2jma s PHE 52 Cb 0.00 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.56 2jma s PHE 52 CO 0.00 0.54 -0.03 0.14 0.70 0.00 0.00 175.22 176.56 2jma s VAL 53 N -1.50 0.25 0.13 -0.44 -7.23 0.47 -2.18 120.40 109.90 2jma s VAL 53 Ca 0.35 -1.59 -0.31 0.00 -1.81 0.00 0.00 61.98 58.61 2jma s VAL 53 Cb -0.13 -1.22 -0.11 0.00 0.56 0.00 0.00 36.38 35.48 2jma s VAL 53 CO 0.23 -0.86 1.83 -2.65 -0.31 0.00 0.00 175.10 173.34 2jma n PRO 54 N 0.48 2.79 0.25 4.82 -0.02 -1.26 -0.07 135.00 141.99 2jma n PRO 54 Ca -0.16 1.01 0.09 0.00 -2.02 0.00 0.00 63.50 62.42 2jma n PRO 54 Cb 0.59 -2.91 0.64 0.00 -0.02 0.00 0.00 33.50 31.81 2jma n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jma h ALA 55 N 8.40 1.75 0.00 3.55 0.00 -0.94 0.80 119.26 132.82 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 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jma h ALA 55 CO 0.95 0.10 0.00 0.00 0.00 0.00 0.00 179.25 180.29 2jma n ALA 56 N -2.47 2.02 0.70 0.00 0.00 -1.26 -2.15 120.51 117.35 2jma n ALA 56 Ca -0.03 -0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.42 2jma n ALA 56 Cb 0.16 -1.33 0.09 0.00 0.00 0.00 0.00 19.45 18.37 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 0.06 -4.11 0.00 4.02 0.27 -4.94 117.16 111.11 2jma n TYR 57 Ca 0.08 -0.04 -0.15 0.00 -0.01 0.00 0.00 57.90 57.78 2jma n TYR 57 Cb 0.18 -0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.39 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 -1.53 0.74 -0.01 -0.72 1.01 -0.91 -0.40 120.40 118.57 2jma s VAL 58 Ca 0.23 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 61.10 2jma s VAL 58 Cb 0.16 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.77 2jma s VAL 58 CO 0.24 -0.31 -0.08 -0.75 0.00 0.00 0.00 175.10 174.20 2jma s LYS 59 N -1.59 0.75 0.23 2.72 2.36 -0.62 -4.90 119.74 118.68 2jma s LYS 59 Ca -0.07 -0.28 -0.32 0.00 -2.55 0.00 0.00 55.97 52.75 2jma s LYS 59 Cb -0.10 -0.72 -0.13 0.00 -1.05 0.00 0.00 37.83 35.83 2jma s LYS 59 CO 0.01 0.14 1.59 1.63 1.55 0.00 0.00 175.35 180.27 2jma n LYS 60 N 3.07 2.45 0.13 4.03 4.01 -1.26 -0.56 118.16 130.02 2jma n LYS 60 Ca -0.15 0.88 0.05 0.00 -0.51 0.00 0.00 58.31 58.57 2jma n LYS 60 Cb 0.56 -2.65 0.02 0.00 -0.51 0.00 0.00 35.03 32.45 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 5.52 0.00 0.00 -0.35 3.38 -1.60 -3.46 115.31 118.80 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 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2jma h LEU 61 CO 0.86 0.37 0.00 -0.67 0.09 0.00 0.00 178.44 179.09