#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jma s LYS 5 N 0.00 3.31 0.38 0.00 3.01 -1.26 -4.87 119.74 120.31 1jma s LYS 5 Ca 0.00 1.14 0.26 0.00 -1.01 0.00 0.00 55.97 56.35 1jma s LYS 5 Cb 0.00 -2.03 1.31 0.00 -1.01 0.00 0.00 37.83 36.10 1jma s LYS 5 CO 0.00 -0.81 1.44 -1.91 0.51 0.00 0.00 175.35 174.58 1jma n GLU 6 N -2.18 -0.04 -0.93 1.68 4.07 -1.26 0.67 120.64 122.65 1jma n GLU 6 Ca 0.08 1.19 0.05 0.00 -0.06 0.00 0.00 57.16 58.42 1jma n GLU 6 Cb 0.53 -2.26 0.39 0.00 -0.06 0.00 0.00 31.44 30.04 1jma n GLU 6 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1jma n ASP 7 N -4.75 5.61 -4.28 4.31 5.75 -1.26 -4.94 116.55 116.99 1jma n ASP 7 Ca 0.36 -2.99 -0.23 0.00 -0.01 0.00 0.00 54.79 51.93 1jma n ASP 7 Cb 1.34 -0.70 -0.12 0.00 -1.03 0.00 0.00 41.12 40.60 1jma n ASP 7 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1jma s GLU 8 N -2.81 1.12 -0.14 0.11 2.02 0.21 -2.48 118.70 116.73 1jma s GLU 8 Ca 0.55 -1.19 0.02 0.00 0.02 0.00 0.00 54.97 54.37 1jma s GLU 8 Cb 0.42 -1.32 0.01 0.00 0.10 0.00 0.00 34.13 33.35 1jma s GLU 8 CO 0.16 0.30 -0.22 1.52 0.02 0.00 0.00 175.26 177.03 1jma s TYR 9 N -1.36 2.67 0.34 1.61 -0.85 0.91 -4.61 117.35 116.06 1jma s TYR 9 Ca 0.07 -1.33 -0.29 0.00 -0.52 0.00 0.00 57.07 55.01 1jma s TYR 9 Cb -0.09 -1.81 -0.12 0.00 0.38 0.00 0.00 41.96 40.32 1jma s TYR 9 CO 0.04 -0.60 1.49 -2.30 -1.52 0.00 0.00 175.55 172.66 1jma n PRO 10 N 4.04 2.56 -3.33 -3.49 -0.02 -1.26 -2.46 135.00 131.04 1jma n PRO 10 Ca -0.20 0.90 -0.11 0.00 -2.02 0.00 0.00 63.50 62.07 1jma n PRO 10 Cb 0.52 -2.62 -0.07 0.00 -0.02 0.00 0.00 33.50 31.30 1jma n PRO 10 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1jma s VAL 11 N -0.72 -0.57 0.00 -1.45 0.11 -0.06 -4.95 120.40 112.76 1jma s VAL 11 Ca 0.58 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 1jma s VAL 11 Cb -0.51 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.37 1jma s VAL 11 CO 0.58 -0.32 0.00 0.61 -3.33 0.00 0.00 175.10 172.64 1jma n GLY 12 N 5.34 0.39 0.01 6.54 0.00 -1.26 -2.88 105.19 113.33 1jma n GLY 12 Ca -0.00 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.26 1jma n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jma n SER 13 N 4.66 0.82 -4.92 1.61 7.64 -1.26 -4.93 113.62 117.25 1jma n SER 13 Ca 0.00 -0.72 -0.30 0.00 1.01 0.00 0.00 58.87 58.87 1jma n SER 13 Cb 0.00 0.70 -0.04 0.00 -1.01 0.00 0.00 64.21 63.87 1jma n SER 13 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1jma s GLU 14 N -2.99 3.53 0.28 1.43 8.01 -1.14 -5.09 118.70 122.74 1jma s GLU 14 Ca 0.09 -0.28 0.05 0.00 0.01 0.00 0.00 54.97 54.84 1jma s GLU 14 Cb 0.17 -2.89 -0.02 0.00 -4.31 0.00 0.00 34.13 27.07 1jma s GLU 14 CO 0.80 0.47 0.41 0.00 0.01 0.00 0.00 175.26 176.96 1jma n PRO 17 N 1.48 2.51 -2.42 0.00 -0.02 -1.26 -0.06 135.00 135.23 1jma n PRO 17 Ca -0.19 0.90 -0.27 0.00 -2.02 0.00 0.00 63.50 61.93 1jma n PRO 17 Cb 0.56 -2.70 0.03 0.00 -0.02 0.00 0.00 33.50 31.37 1jma n PRO 17 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1jma s LYS 18 N 0.69 2.96 0.94 -0.52 0.00 -1.04 -4.67 119.74 118.11 1jma s LYS 18 Ca 0.74 -0.00 -0.13 0.00 0.00 0.00 0.00 55.97 56.57 1jma s LYS 18 Cb -0.57 -2.28 0.16 0.00 0.00 0.00 0.00 37.83 35.13 1jma s LYS 18 CO 0.38 -0.66 1.15 0.00 0.00 0.00 0.00 175.35 176.22 1jma s SER 20 N -4.09 6.14 0.25 0.00 0.01 -1.26 -1.65 113.70 113.09 1jma s SER 20 Ca 0.65 0.26 -0.27 0.00 1.31 0.00 0.00 55.95 57.90 1jma s SER 20 Cb -0.13 -1.77 -0.16 0.00 0.21 0.00 0.00 66.02 64.16 1jma s SER 20 CO 0.53 -0.38 0.54 -2.65 0.41 0.00 0.00 173.24 171.70 1jma n PRO 21 N -1.78 0.23 -0.22 12.44 -0.02 -1.24 -1.07 135.00 143.34 1jma n PRO 21 Ca -0.03 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1jma n PRO 21 Cb 0.57 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.90 1jma n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jma n GLY 22 N 1.91 1.44 3.44 -1.23 0.00 -0.12 -4.86 105.19 105.77 1jma n GLY 22 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1jma n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jma s TYR 23 N -2.82 2.06 0.09 1.61 1.51 -0.23 -0.01 117.35 119.56 1jma s TYR 23 Ca 0.00 -0.56 0.04 0.00 -1.01 0.00 0.00 57.07 55.54 1jma s TYR 23 Cb 0.00 -1.07 -0.03 0.00 -0.11 0.00 0.00 41.96 40.74 1jma s TYR 23 CO 0.00 0.45 -0.11 -0.98 -1.11 0.00 0.00 175.55 173.80 1jma s ARG 24 N -3.64 0.83 0.26 -0.62 1.70 0.19 -4.64 118.95 113.02 1jma s ARG 24 Ca 0.29 -1.09 -0.30 0.00 -0.47 0.00 0.00 55.73 54.16 1jma s ARG 24 Cb 0.01 -0.59 -0.09 0.00 -0.57 0.00 0.00 34.95 33.70 1jma s ARG 24 CO 0.12 0.10 1.29 0.08 -1.08 0.00 0.00 175.30 175.82 1jma s VAL 25 N -2.11 3.04 -0.02 4.99 1.01 -0.48 -0.60 120.40 126.24 1jma s VAL 25 Ca 0.03 0.94 0.02 0.00 0.00 0.00 0.00 61.98 62.97 1jma s VAL 25 Cb -0.05 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1jma s VAL 25 CO 0.01 0.18 0.01 1.17 0.00 0.00 0.00 175.10 176.47 1jma n LYS 26 N 1.79 3.26 -3.64 2.72 4.81 0.11 -4.36 118.16 122.85 1jma n LYS 26 Ca 0.03 -0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.32 1jma n LYS 26 Cb 0.43 -1.05 -0.08 0.00 0.02 0.00 0.00 35.03 34.35 1jma n LYS 26 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1jma s GLU 27 N -2.06 0.79 0.61 1.64 2.12 -1.09 -5.00 118.70 115.71 1jma s GLU 27 Ca -0.01 0.65 -0.14 0.00 0.36 0.00 0.00 54.97 55.84 1jma s GLU 27 Cb 0.01 0.38 -0.03 0.00 0.26 0.00 0.00 34.13 34.74 1jma s GLU 27 CO 0.08 -0.14 1.04 0.00 -0.54 0.00 0.00 175.26 175.70 1jma s ALA 28 N -0.12 2.86 0.00 6.30 0.00 -1.26 -1.66 121.76 127.89 1jma s ALA 28 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.09 1jma s ALA 28 Cb -0.03 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1jma s ALA 28 CO 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 175.76 175.01 1jma n GLY 30 N 0.00 1.36 0.27 0.00 0.00 -1.18 -4.71 105.19 100.93 1jma n GLY 30 Ca 0.00 -0.76 0.04 0.00 0.00 0.00 0.00 46.02 45.29 1jma n GLY 30 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jma h GLU 31 N 0.00 0.06 -0.00 1.61 4.57 -1.99 -3.14 114.58 115.69 1jma h GLU 31 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jma h GLU 31 Cb 0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 1jma h GLU 31 CO 0.00 0.04 -0.00 1.28 -1.18 0.00 0.00 179.01 179.15 1jma n LEU 32 N -5.40 0.81 -5.00 1.64 4.77 -1.26 -5.04 117.00 107.53 1jma n LEU 32 Ca 0.12 -0.90 -0.20 0.00 -0.03 0.00 0.00 56.01 55.00 1jma n LEU 32 Cb 0.43 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1jma n LEU 32 CO 0.03 0.20 0.24 0.28 -1.33 0.00 0.00 177.39 176.81 1jma s THR 33 N -0.20 2.28 0.52 -5.08 -1.32 -1.19 -5.13 115.64 105.51 1jma s THR 33 Ca 0.00 -1.10 0.04 0.00 -1.21 0.00 0.00 61.69 59.43 1jma s THR 33 Cb 0.00 -2.38 0.01 0.00 -1.51 0.00 0.00 72.50 68.62 1jma s THR 33 CO 0.00 0.00 0.25 -0.83 -2.21 0.00 0.00 174.62 171.83 1jma s GLY 34 N -4.51 2.57 0.14 6.08 0.00 -1.26 -3.10 107.32 107.24 1jma s GLY 34 Ca 0.55 -1.08 -0.30 0.00 0.00 0.00 0.00 44.72 43.89 1jma s GLY 34 CO 0.34 -2.02 1.10 -1.59 0.00 0.00 0.00 173.10 170.94 1jma s THR 35 N -2.78 3.99 -0.53 0.90 2.01 -1.26 -4.01 115.64 113.96 1jma s THR 35 Ca 0.26 1.63 -0.24 0.00 0.31 0.00 0.00 61.69 63.66 1jma s THR 35 Cb -0.00 -4.04 0.04 0.00 0.01 0.00 0.00 72.50 68.50 1jma s THR 35 CO 0.16 0.24 0.89 -0.69 -0.69 0.00 0.00 174.62 174.53 1jma s VAL 36 N 0.09 4.47 0.25 3.82 1.01 -0.66 -4.93 120.40 124.45 1jma s VAL 36 Ca 0.51 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.69 1jma s VAL 36 Cb -0.29 -4.49 -0.05 0.00 0.00 0.00 0.00 36.38 31.56 1jma s VAL 36 CO 0.33 -1.03 0.48 0.00 0.00 0.00 0.00 175.10 174.89 1jma s GLU 38 N -3.40 0.60 0.70 0.00 2.12 0.23 -4.85 118.70 114.11 1jma s GLU 38 Ca 0.42 -0.53 -0.16 0.00 0.36 0.00 0.00 54.97 55.05 1jma s GLU 38 Cb -0.11 -0.51 0.02 0.00 0.26 0.00 0.00 34.13 33.80 1jma s GLU 38 CO 0.29 0.12 1.25 -2.14 -0.54 0.00 0.00 175.26 174.25 1jma s PRO 39 N -0.89 2.24 0.46 4.30 0.02 -1.26 0.53 135.00 140.40 1jma s PRO 39 Ca -0.02 1.93 -0.24 0.00 0.02 0.00 0.00 61.00 62.68 1jma s PRO 39 Cb -0.06 -1.83 -0.07 0.00 0.02 0.00 0.00 34.50 32.56 1jma s PRO 39 CO 0.00 -1.80 1.31 0.00 -0.33 0.00 0.00 177.00 176.19 1jma s PRO 41 N -2.55 2.43 0.31 0.00 0.02 -1.26 -4.87 135.00 129.08 1jma s PRO 41 Ca 0.63 1.30 -0.28 0.00 0.02 0.00 0.00 61.00 62.67 1jma s PRO 41 Cb -0.38 -1.91 -0.13 0.00 0.02 0.00 0.00 34.50 32.10 1jma s PRO 41 CO 0.47 -1.52 1.17 -2.30 -0.33 0.00 0.00 177.00 174.49 1jma n PRO 42 N -3.05 1.77 0.00 5.54 -0.02 -1.26 -1.07 135.00 136.91 1jma n PRO 42 Ca 0.10 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1jma n PRO 42 Cb 0.52 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1jma n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jma n GLY 43 N 1.05 3.20 3.94 -1.23 0.00 -1.26 -5.03 105.19 105.85 1jma n GLY 43 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 1jma n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jma s THR 44 N -2.31 1.75 0.12 2.61 -4.23 -0.23 0.07 115.64 113.42 1jma s THR 44 Ca 0.00 -1.36 -0.25 0.00 -1.18 0.00 0.00 61.69 58.89 1jma s THR 44 Cb 0.00 -2.11 0.08 0.00 1.34 0.00 0.00 72.50 71.81 1jma s THR 44 CO 0.00 0.00 1.07 -0.72 -0.54 0.00 0.00 174.62 174.43 1jma s TYR 45 N -2.76 -0.04 -0.29 3.99 -0.85 -0.32 -4.44 117.35 112.65 1jma s TYR 45 Ca 0.41 -0.25 -0.15 0.00 -0.52 0.00 0.00 57.07 56.56 1jma s TYR 45 Cb -0.03 0.64 0.11 0.00 0.38 0.00 0.00 41.96 43.06 1jma s TYR 45 CO 0.26 -0.72 0.81 0.42 -1.52 0.00 0.00 175.55 174.80 1jma s ILE 46 N -2.69 -0.13 -0.97 -3.49 -1.09 0.35 -0.77 121.20 112.41 1jma s ILE 46 Ca 0.17 0.00 0.13 0.00 -2.23 0.00 0.00 60.65 58.71 1jma s ILE 46 Cb -0.00 -1.00 0.37 0.00 -1.58 0.00 0.00 42.46 40.25 1jma s ILE 46 CO 0.02 0.00 1.31 0.00 -1.23 0.00 0.00 174.94 175.04 1jma n ALA 47 N 4.25 2.29 -2.21 9.38 0.00 -1.23 -0.95 120.51 132.04 1jma n ALA 47 Ca -0.18 -1.27 -0.13 0.00 0.00 0.00 0.00 53.44 51.86 1jma n ALA 47 Cb 0.57 -0.52 -0.10 0.00 0.00 0.00 0.00 19.45 19.40 1jma n ALA 47 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1jma s HIS 48 N -1.18 1.23 0.05 0.00 3.76 -1.26 -4.83 115.29 113.07 1jma s HIS 48 Ca 0.28 -1.39 -0.32 0.00 -0.15 0.00 0.00 55.06 53.49 1jma s HIS 48 Cb 0.16 -0.60 -0.11 0.00 1.11 0.00 0.00 32.58 33.15 1jma s HIS 48 CO 0.17 -0.63 1.88 1.28 -0.85 0.00 0.00 174.74 176.58 1jma n LEU 49 N -0.31 3.90 -4.77 0.89 4.32 -1.26 -3.63 117.00 116.14 1jma n LEU 49 Ca 0.02 0.96 -0.32 0.00 -0.02 0.00 0.00 56.01 56.65 1jma n LEU 49 Cb 0.66 -1.50 -0.07 0.00 -1.62 0.00 0.00 43.42 40.89 1jma n LEU 49 CO 0.33 0.11 -0.26 0.21 -1.22 0.00 0.00 177.39 176.56 1jma s ASN 50 N 3.46 5.58 0.00 -1.43 2.47 -0.66 -4.89 114.94 119.47 1jma s ASN 50 Ca 0.86 0.10 0.00 0.00 0.42 0.00 0.00 52.86 54.24 1jma s ASN 50 Cb -0.52 -1.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.71 1jma s ASN 50 CO 0.42 0.25 0.60 0.61 -3.72 0.00 0.00 177.10 175.26 1jma n GLY 51 N 1.06 0.14 3.90 1.21 0.00 -1.26 -0.21 105.19 110.03 1jma n GLY 51 Ca -0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 1jma n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jma s LEU 52 N -0.36 3.61 -0.02 0.99 1.43 -1.26 -4.80 118.68 118.27 1jma s LEU 52 Ca 0.00 -0.51 0.04 0.00 -1.03 0.00 0.00 54.13 52.63 1jma s LEU 52 Cb 0.00 -2.32 0.14 0.00 0.03 0.00 0.00 46.19 44.04 1jma s LEU 52 CO 0.00 -0.51 0.98 -1.54 0.23 0.00 0.00 176.35 175.51 1jma n SER 53 N -1.53 1.17 -3.78 2.29 3.41 -1.26 -1.38 113.62 112.53 1jma n SER 53 Ca 0.01 -2.06 -0.10 0.00 -0.26 0.00 0.00 58.87 56.46 1jma n SER 53 Cb 0.60 -0.25 -0.05 0.00 -0.26 0.00 0.00 64.21 64.25 1jma n SER 53 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1jma s LYS 54 N -1.64 1.25 0.03 4.33 -2.85 -1.26 -4.73 119.74 114.86 1jma s LYS 54 Ca 0.10 -0.92 0.00 0.00 -1.00 0.00 0.00 55.97 54.15 1jma s LYS 54 Cb 0.06 0.47 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 1jma s LYS 54 CO 0.05 -0.51 0.02 0.00 0.10 0.00 0.00 175.35 175.02 1jma s LEU 56 N 0.00 4.13 0.01 0.00 1.02 0.05 -4.84 118.68 119.05 1jma s LEU 56 Ca 0.02 0.85 -0.28 0.00 0.02 0.00 0.00 54.13 54.74 1jma s LEU 56 Cb -0.00 -3.63 -0.04 0.00 0.02 0.00 0.00 46.19 42.54 1jma s LEU 56 CO 0.01 -0.11 0.88 0.00 0.02 0.00 0.00 176.35 177.14 1jma s GLN 57 N -3.06 4.54 0.29 1.70 0.00 -1.26 -1.17 119.66 120.70 1jma s GLN 57 Ca 0.46 1.24 -0.29 0.00 -0.00 0.00 0.00 55.36 56.77 1jma s GLN 57 Cb -0.11 -3.43 -0.10 0.00 0.00 0.00 0.00 33.01 29.37 1jma s GLN 57 CO 0.24 0.07 1.40 0.00 0.00 0.00 0.00 175.29 177.01 1jma s GLN 59 N -1.03 2.59 0.19 0.00 0.74 -1.26 -5.02 119.66 115.88 1jma s GLN 59 Ca 0.55 1.12 0.08 0.00 0.05 0.00 0.00 55.36 57.17 1jma s GLN 59 Cb -0.42 -1.94 -0.04 0.00 1.10 0.00 0.00 33.01 31.71 1jma s GLN 59 CO 0.49 -1.38 -0.17 -1.64 -0.55 0.00 0.00 175.29 172.04 1jma s MET 60 N -4.82 1.33 -0.39 1.67 -1.94 -1.26 -4.65 119.30 109.25 1jma s MET 60 Ca 0.61 -1.52 -0.01 0.00 -1.71 0.00 0.00 55.69 53.05 1jma s MET 60 Cb -0.16 -1.27 0.11 0.00 2.01 0.00 0.00 34.83 35.51 1jma s MET 60 CO 0.53 0.24 0.17 0.00 -0.01 0.00 0.00 175.02 175.95 1jma n ASP 62 N 4.52 0.88 -0.27 0.00 -0.08 -1.26 -4.53 116.55 115.81 1jma n ASP 62 Ca -0.01 0.66 0.01 0.00 -1.51 0.00 0.00 54.79 53.94 1jma n ASP 62 Cb 0.41 -0.94 0.14 0.00 2.34 0.00 0.00 41.12 43.08 1jma n ASP 62 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1jma h PRO 63 N 9.32 0.73 0.00 -0.67 0.11 -1.97 -2.21 132.00 137.30 1jma h PRO 63 Ca -0.12 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1jma h PRO 63 Cb 1.41 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1jma h PRO 63 CO 1.08 0.48 0.00 0.00 -0.21 0.00 0.00 178.00 179.35 1jma n ALA 64 N -2.38 -0.17 0.00 -0.75 0.00 -1.26 -1.87 120.51 114.08 1jma n ALA 64 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1jma n ALA 64 Cb 0.24 0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1jma n ALA 64 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1jma n MET 65 N -1.95 0.00 -1.53 0.00 2.81 -1.14 -4.59 117.12 110.72 1jma n MET 65 Ca 0.00 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.78 1jma n MET 65 Cb 0.00 -0.92 -0.04 0.00 -0.71 0.00 0.00 33.22 31.55 1jma n MET 65 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jma n GLY 66 N -0.08 0.91 3.75 3.03 0.00 -0.78 -4.08 105.19 107.95 1jma n GLY 66 Ca 0.00 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 1jma n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jma s LEU 67 N -2.67 4.25 -0.04 0.99 1.43 -0.84 -0.74 118.68 121.06 1jma s LEU 67 Ca 0.00 0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 53.48 1jma s LEU 67 Cb 0.00 -2.22 0.03 0.00 0.03 0.00 0.00 46.19 44.03 1jma s LEU 67 CO 0.00 0.18 0.03 -0.60 0.23 0.00 0.00 176.35 176.19 1jma s ARG 68 N 0.20 0.19 0.09 1.70 3.52 -0.88 -3.91 118.95 119.86 1jma s ARG 68 Ca 0.13 0.22 -0.36 0.00 -0.13 0.00 0.00 55.73 55.58 1jma s ARG 68 Cb -0.12 -0.60 -0.18 0.00 -1.56 0.00 0.00 34.95 32.50 1jma s ARG 68 CO 0.01 -0.26 1.16 0.00 -0.81 0.00 0.00 175.30 175.41 1jma n ALA 69 N 4.87 -1.91 -0.03 6.12 0.00 -1.26 -1.56 120.51 126.75 1jma n ALA 69 Ca -0.12 0.53 -0.15 0.00 0.00 0.00 0.00 53.44 53.69 1jma n ALA 69 Cb 0.50 -1.93 -0.14 0.00 0.00 0.00 0.00 19.45 17.88 1jma n ALA 69 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1jma n SER 70 N 2.05 1.46 -3.80 0.00 3.41 0.31 -4.72 113.62 112.33 1jma n SER 70 Ca 0.18 0.22 -0.28 0.00 -0.26 0.00 0.00 58.87 58.74 1jma n SER 70 Cb 0.17 -0.35 -0.16 0.00 -0.26 0.00 0.00 64.21 63.61 1jma n SER 70 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jma s ARG 71 N -2.56 0.95 1.23 4.33 0.52 -1.07 -4.99 118.95 117.36 1jma s ARG 71 Ca -0.16 -0.46 -0.16 0.00 -0.52 0.00 0.00 55.73 54.44 1jma s ARG 71 Cb 0.07 -2.02 0.31 0.00 0.52 0.00 0.00 34.95 33.83 1jma s ARG 71 CO 0.78 -0.55 1.00 -0.80 0.02 0.00 0.00 175.30 175.75 1jma s ASN 72 N 1.76 0.45 0.42 0.23 0.01 -1.26 -0.71 114.94 115.85 1jma s ASN 72 Ca -0.01 1.27 -0.21 0.00 -0.71 0.00 0.00 52.86 53.20 1jma s ASN 72 Cb -0.16 -1.94 -0.11 0.00 0.41 0.00 0.00 41.25 39.44 1jma s ASN 72 CO -0.07 -4.49 0.95 0.00 -1.51 0.00 0.00 177.10 171.97 1jma n SER 74 N -0.56 1.07 0.04 0.00 3.41 0.14 -4.92 113.62 112.80 1jma n SER 74 Ca 0.07 -2.64 0.14 0.00 -0.26 0.00 0.00 58.87 56.18 1jma n SER 74 Cb 0.54 0.80 0.54 0.00 -0.26 0.00 0.00 64.21 65.83 1jma n SER 74 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jma n ARG 75 N -0.68 0.09 -0.00 4.33 1.74 -1.26 -3.78 116.66 117.09 1jma n ARG 75 Ca -0.04 0.08 0.01 0.00 -0.77 0.00 0.00 57.85 57.13 1jma n ARG 75 Cb 0.46 -1.60 -0.02 0.00 -1.02 0.00 0.00 32.46 30.27 1jma n ARG 75 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1jma n THR 76 N -1.76 0.01 -4.93 0.55 -2.24 -1.26 -0.50 114.28 104.16 1jma n THR 76 Ca 0.06 -0.07 -0.26 0.00 -2.27 0.00 0.00 64.05 61.51 1jma n THR 76 Cb 0.37 0.33 -0.15 0.00 -2.10 0.00 0.00 70.33 68.78 1jma n THR 76 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1jma s GLU 77 N -2.20 1.56 0.47 -0.78 2.02 -1.25 -3.52 118.70 115.01 1jma s GLU 77 Ca -0.01 -0.69 -0.11 0.00 0.02 0.00 0.00 54.97 54.18 1jma s GLU 77 Cb 0.02 -1.51 -0.06 0.00 0.10 0.00 0.00 34.13 32.68 1jma s GLU 77 CO 0.13 0.41 0.86 1.21 0.02 0.00 0.00 175.26 177.89 1jma s ASN 78 N -0.45 6.47 0.83 -0.19 2.47 -1.26 0.25 114.94 123.07 1jma s ASN 78 Ca 0.07 1.25 -0.12 0.00 0.42 0.00 0.00 52.86 54.49 1jma s ASN 78 Cb -0.07 -2.38 0.10 0.00 -1.45 0.00 0.00 41.25 37.44 1jma s ASN 78 CO -0.01 -0.53 1.18 0.00 -3.72 0.00 0.00 177.10 174.02 1jma s ALA 79 N -2.59 1.77 -0.10 1.71 0.00 -1.26 -4.67 121.76 116.61 1jma s ALA 79 Ca 0.53 0.75 -0.01 0.00 0.00 0.00 0.00 51.96 53.23 1jma s ALA 79 Cb -0.10 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.57 1jma s ALA 79 CO 0.36 -2.38 -0.04 0.08 0.00 0.00 0.00 175.76 173.78 1jma s VAL 80 N -2.32 0.77 0.35 0.00 1.01 0.12 -4.84 120.40 115.48 1jma s VAL 80 Ca 0.71 -0.13 -0.26 0.00 0.00 0.00 0.00 61.98 62.30 1jma s VAL 80 Cb -0.26 -0.84 -0.10 0.00 0.00 0.00 0.00 36.38 35.18 1jma s VAL 80 CO 0.53 0.32 1.00 0.00 0.00 0.00 0.00 175.10 176.95 1jma n GLY 82 N 0.53 5.64 3.51 0.00 0.00 -0.60 -2.57 105.19 111.70 1jma n GLY 82 Ca 0.03 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 1jma n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jma s SER 84 N 0.05 2.42 0.60 0.00 1.04 0.08 -4.64 113.70 113.24 1jma s SER 84 Ca -0.01 1.86 -0.19 0.00 0.48 0.00 0.00 55.95 58.09 1jma s SER 84 Cb -0.14 -2.43 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 1jma s SER 84 CO 0.03 -3.36 1.06 -2.65 0.98 0.00 0.00 173.24 169.30 1jma n PRO 85 N -4.38 1.02 -1.03 4.02 -0.02 -1.26 -2.83 135.00 130.51 1jma n PRO 85 Ca 0.08 0.39 -0.01 0.00 -2.02 0.00 0.00 63.50 61.94 1jma n PRO 85 Cb 0.53 -2.26 -0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1jma n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jma n GLY 86 N 1.17 0.46 3.36 -1.23 0.00 -1.26 -5.02 105.19 102.66 1jma n GLY 86 Ca 0.14 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 1jma n GLY 86 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jma s HIS 87 N -2.03 0.72 0.05 1.61 3.76 -1.13 -1.99 115.29 116.27 1jma s HIS 87 Ca 0.00 -1.02 -0.13 0.00 -0.15 0.00 0.00 55.06 53.76 1jma s HIS 87 Cb 0.00 -0.20 0.02 0.00 1.11 0.00 0.00 32.58 33.51 1jma s HIS 87 CO 0.00 -0.77 0.29 -0.59 -0.85 0.00 0.00 174.74 172.82 1jma s PHE 88 N -4.07 -0.08 0.15 1.40 -0.12 -0.39 -4.86 117.98 110.01 1jma s PHE 88 Ca 0.28 -0.08 -0.30 0.00 -0.05 0.00 0.00 56.93 56.78 1jma s PHE 88 Cb 0.04 0.08 -0.07 0.00 -0.63 0.00 0.00 43.02 42.44 1jma s PHE 88 CO 0.08 -0.50 1.03 0.00 -0.05 0.00 0.00 175.22 175.78 1jma n ILE 90 N 2.55 0.00 -3.64 0.00 -5.35 -0.74 -4.90 119.36 107.28 1jma n ILE 90 Ca 0.02 -0.38 -0.22 0.00 -0.27 0.00 0.00 62.75 61.90 1jma n ILE 90 Cb 0.48 1.10 -0.18 0.00 -1.74 0.00 0.00 39.64 39.30 1jma n ILE 90 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1jma s VAL 91 N -0.45 -0.10 0.32 7.28 1.01 -1.15 -4.99 120.40 122.32 1jma s VAL 91 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.15 1jma s VAL 91 Cb 0.00 -0.32 0.07 0.00 0.00 0.00 0.00 36.38 36.12 1jma s VAL 91 CO 0.00 -0.01 0.44 0.00 0.00 0.00 0.00 175.10 175.53 1jma n GLN 92 N 5.29 0.10 0.00 2.72 1.13 -1.26 -0.29 117.38 125.07 1jma n GLN 92 Ca -0.05 -1.03 0.10 0.00 -1.94 0.00 0.00 57.00 54.08 1jma n GLN 92 Cb 0.50 -0.34 0.59 0.00 0.11 0.00 0.00 30.24 31.09 1jma n GLN 92 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1jma n ASP 95 N -3.06 0.00 -4.88 1.08 8.00 -1.26 -3.94 116.55 112.49 1jma n ASP 95 Ca 0.07 -1.26 -0.21 0.00 0.71 0.00 0.00 54.79 54.10 1jma n ASP 95 Cb 0.24 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 1jma n ASP 95 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1jma s HIS 96 N -2.00 2.93 0.32 1.24 3.76 -1.26 -5.03 115.29 115.24 1jma s HIS 96 Ca 0.30 -0.30 -0.26 0.00 -0.15 0.00 0.00 55.06 54.65 1jma s HIS 96 Cb 0.14 -1.84 -0.10 0.00 1.11 0.00 0.00 32.58 31.89 1jma s HIS 96 CO 0.23 0.14 0.96 0.00 -0.85 0.00 0.00 174.74 175.22 1jma n ALA 98 N 0.64 1.20 -3.26 0.00 0.00 0.60 -4.78 120.51 114.92 1jma n ALA 98 Ca 0.02 -0.95 -0.13 0.00 0.00 0.00 0.00 53.44 52.38 1jma n ALA 98 Cb 0.49 -0.18 -0.13 0.00 0.00 0.00 0.00 19.45 19.63 1jma n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jma s ALA 99 N -2.51 -0.34 0.20 0.00 0.00 -1.21 -5.02 121.76 112.88 1jma s ALA 99 Ca -0.33 0.51 0.08 0.00 0.00 0.00 0.00 51.96 52.22 1jma s ALA 99 Cb 0.10 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1jma s ALA 99 CO 0.60 -0.10 0.02 0.00 0.00 0.00 0.00 175.76 176.28 1jma s ARG 101 N -3.18 1.56 0.24 0.00 3.52 0.74 -4.90 118.95 116.94 1jma s ARG 101 Ca 0.29 -0.99 -0.30 0.00 -0.13 0.00 0.00 55.73 54.61 1jma s ARG 101 Cb -0.09 -1.69 -0.09 0.00 -1.56 0.00 0.00 34.95 31.53 1jma s ARG 101 CO 0.20 0.44 1.07 0.00 -0.81 0.00 0.00 175.30 176.19 1jma s ALA 102 N -0.78 3.38 0.56 6.12 0.00 -1.26 -1.27 121.76 128.52 1jma s ALA 102 Ca 0.09 0.82 -0.19 0.00 0.00 0.00 0.00 51.96 52.68 1jma s ALA 102 Cb -0.09 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 1jma s ALA 102 CO 0.02 -0.10 1.16 0.71 0.00 0.00 0.00 175.76 177.55 1jma s TYR 103 N -0.92 2.57 0.41 0.00 4.12 -0.84 -4.94 117.35 117.76 1jma s TYR 103 Ca 0.45 1.53 -0.26 0.00 0.02 0.00 0.00 57.07 58.81 1jma s TYR 103 Cb -0.30 -3.37 -0.08 0.00 -1.52 0.00 0.00 41.96 36.69 1jma s TYR 103 CO 0.38 -1.82 1.29 0.00 0.02 0.00 0.00 175.55 175.41 1jma s ALA 104 N -1.69 3.22 -2.64 3.71 0.00 -1.26 -5.00 121.76 118.09 1jma s ALA 104 Ca 0.74 1.20 0.27 0.00 0.00 0.00 0.00 51.96 54.17 1jma s ALA 104 Cb -0.27 -3.48 0.81 0.00 0.00 0.00 0.00 23.12 20.18 1jma s ALA 104 CO 0.30 -0.81 1.61 0.25 0.00 0.00 0.00 175.76 177.10