#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cum h SER 2 N 0.00 -0.72 -2.36 1.61 0.02 -2.13 -3.45 113.55 106.53 2cum h SER 2 Ca 0.00 -0.02 -0.45 0.00 -0.84 0.00 0.00 61.79 60.48 2cum h SER 2 Cb 0.00 0.19 0.02 0.00 0.14 0.00 0.00 62.40 62.75 2cum h SER 2 CO 0.00 -0.40 -0.19 -0.55 -1.14 0.00 0.00 176.83 174.55 2cum s SER 3 N -4.54 5.88 0.00 3.07 0.15 -1.26 -5.06 113.70 111.94 2cum s SER 3 Ca -0.16 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.58 2cum s SER 3 Cb 0.02 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.94 2cum s SER 3 CO 0.53 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2cum n GLY 4 N -1.91 -0.15 3.29 9.45 0.00 -1.26 -5.05 105.19 109.56 2cum n GLY 4 Ca 0.01 0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 2cum n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cum s SER 5 N 1.13 6.40 1.11 1.61 0.01 -1.26 -5.06 113.70 117.64 2cum s SER 5 Ca 0.00 -2.53 -0.15 0.00 1.31 0.00 0.00 55.95 54.58 2cum s SER 5 Cb 0.00 -2.15 0.25 0.00 0.21 0.00 0.00 66.02 64.33 2cum s SER 5 CO 0.00 -0.60 1.07 -0.44 0.41 0.00 0.00 173.24 173.69 2cum s SER 6 N 2.21 1.60 0.00 2.44 0.01 -1.26 -4.86 113.70 113.84 2cum s SER 6 Ca 0.15 1.09 -0.03 0.00 1.31 0.00 0.00 55.95 58.47 2cum s SER 6 Cb -0.16 -1.68 -0.13 0.00 0.21 0.00 0.00 66.02 64.26 2cum s SER 6 CO -0.06 -3.75 2.75 0.61 0.41 0.00 0.00 173.24 173.20 2cum n GLY 7 N -0.51 2.69 3.68 3.44 0.00 -1.26 -4.91 105.19 108.32 2cum n GLY 7 Ca 0.07 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 2cum n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cum s LEU 8 N 0.00 4.33 0.24 0.99 0.20 -1.26 -4.95 118.68 118.22 2cum s LEU 8 Ca 0.33 2.24 0.08 0.00 0.69 0.00 0.00 54.13 57.48 2cum s LEU 8 Cb 0.16 -3.55 -0.04 0.00 -0.43 0.00 0.00 46.19 42.32 2cum s LEU 8 CO 0.00 -0.82 0.03 -1.61 -0.29 0.00 0.00 176.35 173.65 2cum s GLU 9 N 2.94 2.43 0.40 1.98 2.02 -1.26 -5.11 118.70 122.10 2cum s GLU 9 Ca 0.69 -1.27 0.08 0.00 0.02 0.00 0.00 54.97 54.49 2cum s GLU 9 Cb -0.34 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.61 2cum s GLU 9 CO 0.28 0.40 0.51 0.00 0.02 0.00 0.00 175.26 176.47 2cum s ALA 10 N -2.11 4.38 0.24 5.21 0.00 -1.26 -4.60 121.76 123.61 2cum s ALA 10 Ca 0.30 -1.65 -0.30 0.00 0.00 0.00 0.00 51.96 50.32 2cum s ALA 10 Cb -0.07 -1.55 -0.09 0.00 0.00 0.00 0.00 23.12 21.41 2cum s ALA 10 CO 0.20 -0.21 1.28 -1.25 0.00 0.00 0.00 175.76 175.79 2cum s PRO 11 N -4.27 4.42 0.42 0.00 0.04 -1.26 -4.53 135.00 129.82 2cum s PRO 11 Ca 0.51 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.65 2cum s PRO 11 Cb -0.09 -3.17 -0.02 0.00 0.04 0.00 0.00 34.50 31.26 2cum s PRO 11 CO 0.32 -0.18 0.16 -0.98 0.04 0.00 0.00 177.00 176.36 2cum s ARG 12 N -0.63 1.97 -1.12 4.56 1.70 -1.06 -4.84 118.95 119.53 2cum s ARG 12 Ca 0.53 -2.21 -0.04 0.00 -0.47 0.00 0.00 55.73 53.55 2cum s ARG 12 Cb -0.36 -0.49 0.00 0.00 -0.57 0.00 0.00 34.95 33.53 2cum s ARG 12 CO 0.42 -0.54 0.96 -3.47 -1.08 0.00 0.00 175.30 171.58 2cum n ASP 13 N -1.45 -4.02 -4.45 -2.89 -0.08 -1.26 0.15 116.55 102.55 2cum n ASP 13 Ca -0.05 -0.50 -0.43 0.00 -1.51 0.00 0.00 54.79 52.29 2cum n ASP 13 Cb 0.64 -4.48 -0.03 0.00 2.34 0.00 0.00 41.12 39.59 2cum n ASP 13 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2cum s LEU 14 N -6.16 4.66 0.14 -2.67 2.96 -1.26 -4.21 118.68 112.14 2cum s LEU 14 Ca 0.27 -1.40 0.08 0.00 -0.22 0.00 0.00 54.13 52.86 2cum s LEU 14 Cb -0.12 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 2cum s LEU 14 CO 0.63 -1.29 -0.19 -0.70 -1.32 0.00 0.00 176.35 173.48 2cum s GLU 15 N 3.52 1.20 -0.12 1.98 2.56 -1.07 -4.87 118.70 121.89 2cum s GLU 15 Ca 0.26 -1.29 -0.25 0.00 0.00 0.00 0.00 54.97 53.69 2cum s GLU 15 Cb -0.13 -1.35 -0.02 0.00 2.00 0.00 0.00 34.13 34.63 2cum s GLU 15 CO 0.02 0.29 0.78 0.00 -0.56 0.00 0.00 175.26 175.80 2cum s ALA 16 N -1.65 3.43 0.23 6.30 0.00 -1.26 -2.76 121.76 126.05 2cum s ALA 16 Ca 0.11 0.09 0.09 0.00 0.00 0.00 0.00 51.96 52.25 2cum s ALA 16 Cb -0.08 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 2cum s ALA 16 CO 0.05 -0.42 -0.16 0.15 0.00 0.00 0.00 175.76 175.39 2cum s LYS 17 N 1.58 1.46 -1.55 0.00 1.02 0.11 -4.77 119.74 117.58 2cum s LYS 17 Ca 0.38 -1.66 -0.09 0.00 0.02 0.00 0.00 55.97 54.62 2cum s LYS 17 Cb -0.17 -1.33 0.08 0.00 -0.52 0.00 0.00 37.83 35.88 2cum s LYS 17 CO 0.15 0.22 0.61 0.39 -0.92 0.00 0.00 175.35 175.80 2cum n GLU 18 N -0.47 -3.32 -2.30 1.68 -0.58 -1.26 -1.87 120.64 112.52 2cum n GLU 18 Ca -0.07 0.39 -0.42 0.00 -0.42 0.00 0.00 57.16 56.64 2cum n GLU 18 Cb 0.60 -4.82 -0.03 0.00 -0.57 0.00 0.00 31.44 26.63 2cum n GLU 18 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2cum s VAL 19 N -3.63 3.70 0.07 2.62 1.01 -1.26 -3.75 120.40 119.15 2cum s VAL 19 Ca 0.37 1.21 -0.04 0.00 0.00 0.00 0.00 61.98 63.52 2cum s VAL 19 Cb -0.20 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2cum s VAL 19 CO 0.91 0.08 0.07 0.42 0.00 0.00 0.00 175.10 176.57 2cum s THR 20 N 1.22 0.18 -1.79 3.92 -4.23 -0.27 -4.54 115.64 110.13 2cum s THR 20 Ca 0.62 -1.52 0.15 0.00 -1.18 0.00 0.00 61.69 59.76 2cum s THR 20 Cb -0.33 -1.42 0.38 0.00 1.34 0.00 0.00 72.50 72.47 2cum s THR 20 CO 0.29 -0.84 1.37 -0.81 -0.54 0.00 0.00 174.62 174.09 2cum n PRO 21 N 0.07 0.39 -0.02 3.99 -0.04 -1.26 -3.11 135.00 135.01 2cum n PRO 21 Ca -0.15 0.05 -0.03 0.00 -0.04 0.00 0.00 63.50 63.33 2cum n PRO 21 Cb 0.61 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 2cum n PRO 21 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2cum n ARG 22 N -1.10 0.12 -3.69 0.54 1.74 -1.26 -4.00 116.66 109.01 2cum n ARG 22 Ca 0.10 0.03 -0.15 0.00 -0.77 0.00 0.00 57.85 57.06 2cum n ARG 22 Cb 0.08 -1.06 -0.06 0.00 -1.02 0.00 0.00 32.46 30.40 2cum n ARG 22 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2cum n THR 23 N -2.69 0.00 -3.57 0.55 -2.24 -1.18 -2.97 114.28 102.19 2cum n THR 23 Ca -0.09 -1.81 -0.02 0.00 -2.27 0.00 0.00 64.05 59.86 2cum n THR 23 Cb 0.59 0.87 -0.05 0.00 -2.10 0.00 0.00 70.33 69.64 2cum n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cum s ALA 24 N -2.99 -2.28 -0.21 6.98 0.00 -0.98 -1.11 121.76 121.16 2cum s ALA 24 Ca 0.28 2.24 -0.10 0.00 0.00 0.00 0.00 51.96 54.38 2cum s ALA 24 Cb 0.01 -1.79 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 2cum s ALA 24 CO 0.20 -0.71 0.12 -1.17 0.00 0.00 0.00 175.76 174.20 2cum s LEU 25 N 2.18 4.05 -0.21 0.00 2.96 -0.78 -0.98 118.68 125.90 2cum s LEU 25 Ca -0.06 0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 2cum s LEU 25 Cb -0.07 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.56 2cum s LEU 25 CO -0.18 0.12 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.12 2cum s LEU 26 N 0.70 2.65 0.03 -0.68 1.43 -0.85 0.06 118.68 122.02 2cum s LEU 26 Ca 0.07 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 2cum s LEU 26 Cb -0.13 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 2cum s LEU 26 CO 0.01 -0.02 0.01 0.42 0.23 0.00 0.00 176.35 177.01 2cum s THR 27 N 1.41 4.20 0.15 5.49 -4.23 -1.11 -2.05 115.64 119.50 2cum s THR 27 Ca 0.05 -0.71 -0.10 0.00 -1.18 0.00 0.00 61.69 59.75 2cum s THR 27 Cb -0.14 -2.93 -0.00 0.00 1.34 0.00 0.00 72.50 70.77 2cum s THR 27 CO -0.07 0.28 0.29 -1.66 -0.54 0.00 0.00 174.62 172.93 2cum s TRP 28 N -1.19 0.25 -0.12 3.99 -2.14 0.86 -2.59 118.94 118.01 2cum s TRP 28 Ca 0.23 -0.62 -0.12 0.00 2.66 0.00 0.00 56.10 58.24 2cum s TRP 28 Cb -0.12 0.01 -0.05 0.00 -3.10 0.00 0.00 33.47 30.21 2cum s TRP 28 CO 0.14 -0.70 0.26 0.99 -2.66 0.00 0.00 176.95 174.98 2cum s THR 29 N -3.92 5.31 0.05 0.66 2.01 0.12 -4.61 115.64 115.26 2cum s THR 29 Ca 0.13 0.49 -0.16 0.00 0.31 0.00 0.00 61.69 62.46 2cum s THR 29 Cb 0.03 -3.57 -0.06 0.00 0.01 0.00 0.00 72.50 68.91 2cum s THR 29 CO -0.04 0.50 0.48 -1.61 -0.69 0.00 0.00 174.62 173.26 2cum s GLU 30 N -0.31 4.00 1.02 4.92 2.02 -1.26 -2.56 118.70 126.53 2cum s GLU 30 Ca 0.17 0.50 -0.13 0.00 0.02 0.00 0.00 54.97 55.54 2cum s GLU 30 Cb -0.13 -3.17 0.20 0.00 0.10 0.00 0.00 34.13 31.13 2cum s GLU 30 CO 0.06 0.64 1.09 -1.25 0.02 0.00 0.00 175.26 175.81 2cum s PRO 31 N -1.28 0.29 0.06 0.39 0.04 -1.26 -4.92 135.00 128.32 2cum s PRO 31 Ca 0.28 0.48 0.16 0.00 0.04 0.00 0.00 61.00 61.96 2cum s PRO 31 Cb -0.17 -1.72 0.69 0.00 0.04 0.00 0.00 34.50 33.34 2cum s PRO 31 CO 0.16 -2.82 1.51 -0.35 0.04 0.00 0.00 177.00 175.55 2cum n PRO 32 N -4.23 0.05 -3.87 0.56 -0.04 -1.26 -4.07 135.00 122.13 2cum n PRO 32 Ca 0.05 0.30 -0.30 0.00 -0.04 0.00 0.00 63.50 63.50 2cum n PRO 32 Cb 0.57 -1.59 -0.12 0.00 -0.04 0.00 0.00 33.50 32.33 2cum n PRO 32 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2cum s VAL 33 N -3.08 3.06 -0.50 0.52 1.01 -1.26 -5.06 120.40 115.09 2cum s VAL 33 Ca 0.06 -3.85 -0.46 0.00 0.00 0.00 0.00 61.98 57.73 2cum s VAL 33 Cb 0.09 -3.02 -0.20 0.00 0.00 0.00 0.00 36.38 33.26 2cum s VAL 33 CO 0.29 -0.95 1.76 -1.14 0.00 0.00 0.00 175.10 175.06 2cum n ARG 34 N 2.46 0.00 -1.09 2.72 0.63 -1.26 -4.90 116.66 115.22 2cum n ARG 34 Ca 0.15 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.78 2cum n ARG 34 Cb 0.35 -1.49 0.24 0.00 0.45 0.00 0.00 32.46 32.00 2cum n ARG 34 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2cum s PRO 35 N 3.92 -1.14 0.01 -0.14 0.04 -1.26 -4.99 135.00 131.43 2cum s PRO 35 Ca 1.09 -0.04 -0.18 0.00 0.04 0.00 0.00 61.00 61.90 2cum s PRO 35 Cb -1.49 -1.60 -0.27 0.00 0.04 0.00 0.00 34.50 31.18 2cum s PRO 35 CO 0.76 -3.66 1.07 0.00 0.04 0.00 0.00 177.00 175.21 2cum h ALA 36 N -2.55 0.02 -2.25 8.56 0.00 -1.79 -3.47 119.26 117.78 2cum h ALA 36 Ca -0.45 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 53.78 2cum h ALA 36 Cb 1.30 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2cum h ALA 36 CO 0.35 0.48 0.05 0.41 0.00 0.00 0.00 179.25 180.54 2cum n GLY 37 N 1.28 1.86 2.94 0.00 0.00 -1.24 -4.53 105.19 105.50 2cum n GLY 37 Ca -0.12 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 2cum n GLY 37 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cum s TYR 38 N -7.38 0.14 -0.27 1.61 2.02 -0.98 -1.91 117.35 110.58 2cum s TYR 38 Ca 0.03 -0.29 0.01 0.00 -0.37 0.00 0.00 57.07 56.46 2cum s TYR 38 Cb -0.01 -0.11 0.07 0.00 -0.40 0.00 0.00 41.96 41.52 2cum s TYR 38 CO 0.03 -0.11 -0.01 -1.17 -1.57 0.00 0.00 175.55 172.72 2cum s LEU 39 N -0.84 2.87 -0.36 -1.29 0.20 -0.64 -2.41 118.68 116.22 2cum s LEU 39 Ca -0.09 -1.43 -0.12 0.00 0.69 0.00 0.00 54.13 53.18 2cum s LEU 39 Cb -0.06 -1.19 0.00 0.00 -0.43 0.00 0.00 46.19 44.51 2cum s LEU 39 CO -0.01 -0.29 0.23 -0.22 -0.29 0.00 0.00 176.35 175.77 2cum s LEU 40 N 1.36 4.60 -0.27 -0.68 2.96 -1.17 -2.68 118.68 122.80 2cum s LEU 40 Ca 0.00 -0.66 0.02 0.00 -0.22 0.00 0.00 54.13 53.27 2cum s LEU 40 Cb -0.19 -2.09 0.07 0.00 0.50 0.00 0.00 46.19 44.48 2cum s LEU 40 CO -0.10 -0.30 -0.03 -0.55 -1.32 0.00 0.00 176.35 174.05 2cum s SER 41 N 1.66 4.16 -0.23 3.68 0.15 -1.10 -0.46 113.70 121.55 2cum s SER 41 Ca 0.05 -1.46 -0.06 0.00 0.70 0.00 0.00 55.95 55.18 2cum s SER 41 Cb -0.18 -1.30 -0.02 0.00 -1.71 0.00 0.00 66.02 62.81 2cum s SER 41 CO 0.09 -0.28 0.02 0.72 1.20 0.00 0.00 173.24 175.00 2cum s PHE 42 N 1.27 3.04 0.25 3.44 -0.12 -0.80 -2.95 117.98 122.10 2cum s PHE 42 Ca -0.01 -0.61 0.08 0.00 -0.05 0.00 0.00 56.93 56.34 2cum s PHE 42 Cb -0.19 -2.18 -0.04 0.00 -0.63 0.00 0.00 43.02 39.98 2cum s PHE 42 CO -0.08 -0.42 0.09 -3.38 -0.05 0.00 0.00 175.22 171.39 2cum s HIS 43 N 1.51 2.91 0.14 3.49 -3.43 -1.13 -2.79 115.29 115.99 2cum s HIS 43 Ca 0.06 -0.16 0.08 0.00 -0.80 0.00 0.00 55.06 54.24 2cum s HIS 43 Cb -0.15 -1.31 -0.04 0.00 -1.43 0.00 0.00 32.58 29.65 2cum s HIS 43 CO 0.01 0.57 -0.10 -0.08 -2.00 0.00 0.00 174.74 173.14 2cum s THR 44 N -2.19 3.27 -0.90 -5.38 -1.32 -1.25 -3.09 115.64 104.78 2cum s THR 44 Ca 0.32 -1.47 0.16 0.00 -1.21 0.00 0.00 61.69 59.49 2cum s THR 44 Cb -0.07 -2.58 0.14 0.00 -1.51 0.00 0.00 72.50 68.48 2cum s THR 44 CO 0.22 -0.00 1.50 -0.81 -2.21 0.00 0.00 174.62 173.32 2cum n PRO 45 N 0.35 0.04 -1.39 7.08 -0.04 -1.26 -3.05 135.00 136.73 2cum n PRO 45 Ca -0.12 0.29 0.04 0.00 -0.04 0.00 0.00 63.50 63.67 2cum n PRO 45 Cb 0.54 -1.57 0.03 0.00 -0.04 0.00 0.00 33.50 32.46 2cum n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cum n GLY 46 N -0.04 1.31 3.57 0.55 0.00 -1.26 -5.10 105.19 104.23 2cum n GLY 46 Ca 0.03 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 2cum n GLY 46 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cum s GLY 47 N -2.06 -0.43 1.18 -0.02 0.00 -1.17 -5.17 107.32 99.66 2cum s GLY 47 Ca 0.33 0.39 -0.13 0.00 0.00 0.00 0.00 44.72 45.31 2cum s GLY 47 CO -0.16 0.13 0.95 -0.18 0.00 0.00 0.00 173.10 173.84 2cum n GLN 48 N -0.38 -2.49 -3.70 2.90 -0.06 -1.26 -3.75 117.38 108.64 2cum n GLN 48 Ca -0.11 -0.70 -0.37 0.00 -2.00 0.00 0.00 57.00 53.82 2cum n GLN 48 Cb 0.62 -2.13 -0.06 0.00 -4.06 0.00 0.00 30.24 24.61 2cum n GLN 48 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2cum s THR 49 N -2.39 5.27 -0.03 1.69 2.01 -1.26 -3.98 115.64 116.96 2cum s THR 49 Ca 0.68 0.47 0.07 0.00 0.31 0.00 0.00 61.69 63.21 2cum s THR 49 Cb -0.25 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 2cum s THR 49 CO 0.65 0.56 -0.23 -1.58 -0.69 0.00 0.00 174.62 173.33 2cum s GLN 50 N -1.18 2.22 0.11 4.92 2.00 -1.12 -5.00 119.66 121.61 2cum s GLN 50 Ca 0.21 -0.87 0.08 0.00 -2.00 0.00 0.00 55.36 52.78 2cum s GLN 50 Cb -0.14 -2.13 -0.04 0.00 0.80 0.00 0.00 33.01 31.50 2cum s GLN 50 CO 0.10 0.57 -0.16 -1.21 -0.50 0.00 0.00 175.29 174.08 2cum s GLU 51 N -0.61 1.87 0.16 1.67 2.02 -1.26 -1.91 118.70 120.63 2cum s GLU 51 Ca 0.10 -1.14 0.02 0.00 0.02 0.00 0.00 54.97 53.97 2cum s GLU 51 Cb -0.10 -2.16 -0.05 0.00 0.10 0.00 0.00 34.13 31.93 2cum s GLU 51 CO -0.00 0.49 -0.02 0.42 0.02 0.00 0.00 175.26 176.17 2cum s ILE 52 N -1.14 0.73 -0.41 -1.63 1.09 0.40 -4.99 121.20 115.23 2cum s ILE 52 Ca 0.18 -1.98 -0.09 0.00 -1.10 0.00 0.00 60.65 57.66 2cum s ILE 52 Cb -0.11 -2.03 0.07 0.00 -1.06 0.00 0.00 42.46 39.33 2cum s ILE 52 CO 0.10 -0.56 0.25 -0.76 -0.10 0.00 0.00 174.94 173.88 2cum s LEU 53 N -3.16 5.09 -0.21 2.97 1.43 -1.26 -3.05 118.68 120.50 2cum s LEU 53 Ca 0.22 -1.43 -0.18 0.00 -1.03 0.00 0.00 54.13 51.70 2cum s LEU 53 Cb 0.06 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 2cum s LEU 53 CO 0.02 -0.52 0.51 -0.76 0.23 0.00 0.00 176.35 175.84 2cum s LEU 54 N 1.44 4.13 -0.12 1.79 2.01 -1.01 -5.01 118.68 121.91 2cum s LEU 54 Ca 0.03 0.65 -0.29 0.00 0.01 0.00 0.00 54.13 54.52 2cum s LEU 54 Cb -0.22 -2.70 -0.04 0.00 0.01 0.00 0.00 46.19 43.24 2cum s LEU 54 CO 0.03 -0.19 1.55 -2.16 1.01 0.00 0.00 176.35 176.58 2cum s PRO 55 N 1.72 4.09 -0.06 1.29 0.04 -1.26 -2.31 135.00 138.51 2cum s PRO 55 Ca 0.23 1.92 -0.35 0.00 0.04 0.00 0.00 61.00 62.85 2cum s PRO 55 Cb -0.15 -3.94 -0.12 0.00 0.04 0.00 0.00 34.50 30.32 2cum s PRO 55 CO 0.09 -0.93 1.83 0.41 0.04 0.00 0.00 177.00 178.44 2cum n GLY 56 N 4.14 1.37 0.00 0.56 0.00 -1.26 -3.25 105.19 106.74 2cum n GLY 56 Ca 0.17 0.84 0.00 0.00 0.00 0.00 0.00 46.02 47.02 2cum n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cum n GLY 57 N 4.23 0.23 3.64 -0.02 0.00 -1.26 -5.02 105.19 106.99 2cum n GLY 57 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 2cum n GLY 57 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2cum s ILE 58 N -1.08 3.34 -0.00 -0.61 -4.36 -1.20 -5.04 121.20 112.25 2cum s ILE 58 Ca 0.00 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 58.46 2cum s ILE 58 Cb 0.00 -2.82 0.01 0.00 1.25 0.00 0.00 42.46 40.90 2cum s ILE 58 CO 0.00 -0.36 0.83 0.35 0.24 0.00 0.00 174.94 176.00 2cum n THR 59 N -0.89 0.66 -3.60 8.37 -2.24 -1.26 -4.87 114.28 110.44 2cum n THR 59 Ca -0.06 -0.67 -0.13 0.00 -2.27 0.00 0.00 64.05 60.91 2cum n THR 59 Cb 0.59 0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 69.41 2cum n THR 59 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2cum s SER 60 N -0.70 -0.62 0.00 3.42 1.04 -1.26 -0.10 113.70 115.48 2cum s SER 60 Ca 0.01 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.48 2cum s SER 60 Cb 0.01 1.01 -0.00 0.00 0.10 0.00 0.00 66.02 67.13 2cum s SER 60 CO 0.00 -0.31 -0.01 -2.28 0.98 0.00 0.00 173.24 171.62 2cum s HIS 61 N -0.14 0.07 -0.39 5.02 2.46 -0.87 -4.98 115.29 116.46 2cum s HIS 61 Ca -0.02 -0.03 -0.17 0.00 0.47 0.00 0.00 55.06 55.31 2cum s HIS 61 Cb -0.03 -0.05 0.01 0.00 -0.13 0.00 0.00 32.58 32.38 2cum s HIS 61 CO 0.01 -0.01 0.43 -1.14 -2.47 0.00 0.00 174.74 171.56 2cum s GLN 62 N -0.08 3.30 0.09 2.88 2.00 -1.26 -2.01 119.66 124.58 2cum s GLN 62 Ca -0.00 -0.58 -0.21 0.00 -2.00 0.00 0.00 55.36 52.56 2cum s GLN 62 Cb -0.01 -3.90 -0.07 0.00 0.80 0.00 0.00 33.01 29.83 2cum s GLN 62 CO -0.00 -0.73 0.63 -0.51 -0.50 0.00 0.00 175.29 174.18 2cum s LEU 63 N 2.14 4.54 0.53 3.68 1.43 -0.15 -4.96 118.68 125.90 2cum s LEU 63 Ca 0.13 1.37 0.04 0.00 -1.03 0.00 0.00 54.13 54.64 2cum s LEU 63 Cb -0.17 -3.02 0.02 0.00 0.03 0.00 0.00 46.19 43.06 2cum s LEU 63 CO 0.13 0.24 0.28 -0.76 0.23 0.00 0.00 176.35 176.47 2cum s LEU 64 N -1.02 2.57 -0.49 1.79 2.01 -1.26 -2.32 118.68 119.96 2cum s LEU 64 Ca 0.31 -1.37 -0.23 0.00 0.01 0.00 0.00 54.13 52.85 2cum s LEU 64 Cb -0.20 -1.05 0.03 0.00 0.01 0.00 0.00 46.19 44.98 2cum s LEU 64 CO 0.21 -1.03 0.64 0.61 1.01 0.00 0.00 176.35 177.79 2cum n GLY 65 N -1.61 -0.72 3.19 -3.19 0.00 -1.25 -4.97 105.19 96.65 2cum n GLY 65 Ca -0.07 1.13 -0.21 0.00 0.00 0.00 0.00 46.02 46.87 2cum n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cum s LEU 66 N -2.80 2.22 0.27 0.99 1.43 -1.16 -5.04 118.68 114.58 2cum s LEU 66 Ca 0.27 -0.55 -0.07 0.00 -1.03 0.00 0.00 54.13 52.75 2cum s LEU 66 Cb -0.05 -0.69 -0.06 0.00 0.03 0.00 0.00 46.19 45.42 2cum s LEU 66 CO 0.82 0.03 0.56 -0.36 0.23 0.00 0.00 176.35 177.63 2cum s PHE 67 N -1.01 3.46 0.19 0.29 0.08 -1.26 -4.47 117.98 115.26 2cum s PHE 67 Ca 0.02 0.76 -0.30 0.00 0.12 0.00 0.00 56.93 57.53 2cum s PHE 67 Cb -0.09 -2.19 -0.09 0.00 -0.57 0.00 0.00 43.02 40.09 2cum s PHE 67 CO 0.02 0.20 1.31 -1.25 -0.10 0.00 0.00 175.22 175.40 2cum s PRO 68 N -3.24 4.39 -1.12 0.24 0.04 -1.26 -2.97 135.00 131.09 2cum s PRO 68 Ca 0.46 2.04 -0.05 0.00 0.04 0.00 0.00 61.00 63.49 2cum s PRO 68 Cb -0.11 -3.20 0.04 0.00 0.04 0.00 0.00 34.50 31.27 2cum s PRO 68 CO 0.26 -0.25 0.28 0.45 0.04 0.00 0.00 177.00 177.78 2cum n SER 69 N 2.66 -3.64 -4.49 6.66 2.88 0.21 -4.92 113.62 112.98 2cum n SER 69 Ca 0.06 -0.12 -0.36 0.00 -1.33 0.00 0.00 58.87 57.13 2cum n SER 69 Cb 0.43 -3.05 -0.12 0.00 -0.75 0.00 0.00 64.21 60.71 2cum n SER 69 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2cum s THR 70 N -2.76 4.39 0.08 2.46 2.01 -1.16 -4.81 115.64 115.86 2cum s THR 70 Ca 0.23 -0.15 -0.31 0.00 0.31 0.00 0.00 61.69 61.77 2cum s THR 70 Cb -0.12 -3.03 -0.06 0.00 0.01 0.00 0.00 72.50 69.30 2cum s THR 70 CO 0.28 0.37 1.20 -0.55 -0.69 0.00 0.00 174.62 175.23 2cum s SER 71 N 1.29 7.08 0.07 3.53 0.15 -1.26 -3.44 113.70 121.12 2cum s SER 71 Ca 0.05 2.04 0.08 0.00 0.70 0.00 0.00 55.95 58.82 2cum s SER 71 Cb -0.15 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.55 2cum s SER 71 CO 0.03 -0.45 -0.21 -0.31 1.20 0.00 0.00 173.24 173.49 2cum s TYR 72 N 0.91 1.86 -0.26 3.44 2.02 -0.92 -4.24 117.35 120.15 2cum s TYR 72 Ca 0.58 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.91 2cum s TYR 72 Cb -0.30 -1.07 0.06 0.00 -0.40 0.00 0.00 41.96 40.26 2cum s TYR 72 CO 0.30 0.15 -0.08 1.21 -1.57 0.00 0.00 175.55 175.56 2cum s ASN 73 N -1.49 4.33 0.35 2.29 2.47 -1.18 -2.40 114.94 119.32 2cum s ASN 73 Ca 0.08 -1.42 -0.00 0.00 0.42 0.00 0.00 52.86 51.94 2cum s ASN 73 Cb -0.09 -1.46 -0.03 0.00 -1.45 0.00 0.00 41.25 38.21 2cum s ASN 73 CO 0.03 -0.22 0.56 0.00 -3.72 0.00 0.00 177.10 173.75 2cum s ALA 74 N 1.16 3.68 -0.18 1.71 0.00 -1.06 -2.84 121.76 124.23 2cum s ALA 74 Ca -0.06 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 2cum s ALA 74 Cb -0.20 -2.15 0.09 0.00 0.00 0.00 0.00 23.12 20.87 2cum s ALA 74 CO -0.06 -0.01 0.28 0.50 0.00 0.00 0.00 175.76 176.48 2cum s ARG 75 N -4.26 0.21 -0.23 0.00 3.52 -1.15 -2.68 118.95 114.36 2cum s ARG 75 Ca 0.41 0.55 -0.08 0.00 -0.13 0.00 0.00 55.73 56.47 2cum s ARG 75 Cb -0.10 -0.48 -0.04 0.00 -1.56 0.00 0.00 34.95 32.78 2cum s ARG 75 CO 0.36 -0.47 0.10 -1.17 -0.81 0.00 0.00 175.30 173.31 2cum s LEU 76 N 2.43 3.77 -0.13 -0.88 2.96 -1.21 -2.72 118.68 122.91 2cum s LEU 76 Ca 0.05 -0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.92 2cum s LEU 76 Cb -0.14 -2.00 0.04 0.00 0.50 0.00 0.00 46.19 44.59 2cum s LEU 76 CO -0.11 0.05 -0.01 -1.58 -1.32 0.00 0.00 176.35 173.38 2cum s GLN 77 N 1.13 0.87 -0.08 1.98 0.74 -1.09 -2.44 119.66 120.77 2cum s GLN 77 Ca 0.05 -0.19 -0.28 0.00 0.05 0.00 0.00 55.36 55.00 2cum s GLN 77 Cb -0.14 -1.54 -0.02 0.00 1.10 0.00 0.00 33.01 32.41 2cum s GLN 77 CO 0.04 -0.41 0.91 0.00 -0.55 0.00 0.00 175.29 175.27 2cum s ALA 78 N 1.85 3.33 -0.61 1.58 0.00 -1.26 -1.62 121.76 125.03 2cum s ALA 78 Ca 0.03 0.32 -0.27 0.00 0.00 0.00 0.00 51.96 52.03 2cum s ALA 78 Cb -0.14 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.71 2cum s ALA 78 CO -0.07 -0.40 1.46 -1.64 0.00 0.00 0.00 175.76 175.11 2cum s MET 79 N 1.49 3.16 -0.40 0.00 1.00 -0.80 -4.40 119.30 119.35 2cum s MET 79 Ca 0.46 0.32 -0.13 0.00 0.00 0.00 0.00 55.69 56.33 2cum s MET 79 Cb -0.19 -4.18 0.02 0.00 0.00 0.00 0.00 34.83 30.48 2cum s MET 79 CO 0.20 -2.13 0.26 -1.58 0.00 0.00 0.00 175.02 171.78 2cum s TRP 80 N 6.51 3.24 0.25 -0.03 0.51 -1.04 -2.21 118.94 126.17 2cum s TRP 80 Ca 0.51 -0.76 0.10 0.00 -2.12 0.00 0.00 56.10 53.82 2cum s TRP 80 Cb -0.11 -2.53 0.79 0.00 -0.81 0.00 0.00 33.47 30.82 2cum s TRP 80 CO 0.22 -0.62 1.12 0.41 -0.51 0.00 0.00 176.95 177.57 2cum n GLY 81 N 5.09 -0.71 0.43 0.98 0.00 -1.26 0.22 105.19 109.93 2cum n GLY 81 Ca -0.11 0.62 -0.17 0.00 0.00 0.00 0.00 46.02 46.36 2cum n GLY 81 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2cum h GLN 82 N 0.00 -1.01 0.00 1.61 4.15 -2.01 -3.48 115.11 114.37 2cum h GLN 82 Ca 0.54 0.07 -0.15 0.00 0.77 0.00 0.00 58.65 59.88 2cum h GLN 82 Cb 1.32 0.23 -0.03 0.00 0.21 0.00 0.00 27.48 29.20 2cum h GLN 82 CO -0.60 -0.67 -0.08 0.43 -1.93 0.00 0.00 178.83 175.99 2cum n SER 83 N -5.48 -0.72 -3.81 -0.69 7.64 0.13 -5.10 113.62 105.60 2cum n SER 83 Ca -0.13 -1.99 -0.33 0.00 1.01 0.00 0.00 58.87 57.43 2cum n SER 83 Cb 0.42 1.34 -0.06 0.00 -1.01 0.00 0.00 64.21 64.89 2cum n SER 83 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2cum n LEU 84 N 0.00 4.32 -4.06 -3.43 4.77 -1.26 -2.49 117.00 114.84 2cum n LEU 84 Ca 0.00 -5.28 -0.37 0.00 -0.03 0.00 0.00 56.01 50.33 2cum n LEU 84 Cb 0.31 -0.93 0.02 0.00 -2.33 0.00 0.00 43.42 40.48 2cum n LEU 84 CO 0.15 1.80 -0.75 0.18 -1.33 0.00 0.00 177.39 177.44 2cum n LEU 85 N 1.53 -3.98 -4.67 2.23 4.77 -1.26 -4.80 117.00 110.81 2cum n LEU 85 Ca 0.25 0.55 -0.42 0.00 -0.03 0.00 0.00 56.01 56.36 2cum n LEU 85 Cb 0.37 -0.81 -0.03 0.00 -2.33 0.00 0.00 43.42 40.63 2cum n LEU 85 CO 0.44 -4.86 1.23 -2.16 -1.33 0.00 0.00 177.39 170.70 2cum s PRO 86 N -1.16 4.23 1.03 3.23 0.04 -1.26 -4.72 135.00 136.38 2cum s PRO 86 Ca 0.52 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.45 2cum s PRO 86 Cb -0.42 -3.78 0.20 0.00 0.04 0.00 0.00 34.50 30.54 2cum s PRO 86 CO 0.67 -0.72 1.09 -1.25 0.04 0.00 0.00 177.00 176.83 2cum s PRO 87 N 3.30 0.20 -0.26 0.56 0.04 -1.26 -4.93 135.00 132.64 2cum s PRO 87 Ca 0.66 0.44 -0.03 0.00 0.04 0.00 0.00 61.00 62.12 2cum s PRO 87 Cb -0.31 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.54 2cum s PRO 87 CO 0.26 -2.87 -0.02 0.14 0.04 0.00 0.00 177.00 174.54 2cum s VAL 88 N -2.97 3.12 -0.16 -0.36 -7.23 -1.02 -4.92 120.40 106.85 2cum s VAL 88 Ca 0.66 -0.99 -0.11 0.00 -1.81 0.00 0.00 61.98 59.73 2cum s VAL 88 Cb -0.18 -2.61 -0.05 0.00 0.56 0.00 0.00 36.38 34.10 2cum s VAL 88 CO 0.58 0.14 0.19 -0.94 -0.31 0.00 0.00 175.10 174.75 2cum s SER 89 N 1.35 6.33 0.06 4.85 1.04 -1.26 -3.31 113.70 122.77 2cum s SER 89 Ca 0.00 0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.84 2cum s SER 89 Cb -0.17 -2.12 -0.03 0.00 0.10 0.00 0.00 66.02 63.80 2cum s SER 89 CO -0.03 0.21 -0.09 0.28 0.98 0.00 0.00 173.24 174.60 2cum s THR 90 N 0.04 0.71 -0.10 2.02 -1.32 -1.09 -5.00 115.64 110.90 2cum s THR 90 Ca 0.12 -1.32 0.00 0.00 -1.21 0.00 0.00 61.69 59.28 2cum s THR 90 Cb -0.12 -0.95 -0.03 0.00 -1.51 0.00 0.00 72.50 69.90 2cum s THR 90 CO 0.01 -0.46 -0.09 -0.44 -2.21 0.00 0.00 174.62 171.44 2cum s SER 91 N -1.95 4.42 -0.07 8.08 0.01 -1.26 -2.56 113.70 120.37 2cum s SER 91 Ca -0.03 -0.14 -0.05 0.00 1.31 0.00 0.00 55.95 57.04 2cum s SER 91 Cb -0.07 -1.34 0.03 0.00 0.21 0.00 0.00 66.02 64.85 2cum s SER 91 CO -0.00 0.28 0.17 0.72 0.41 0.00 0.00 173.24 174.82 2cum s PHE 92 N -0.29 -0.20 -0.15 2.43 -0.71 -1.01 -4.93 117.98 113.12 2cum s PHE 92 Ca 0.04 0.50 -0.09 0.00 -1.04 0.00 0.00 56.93 56.33 2cum s PHE 92 Cb -0.13 0.02 -0.05 0.00 -1.21 0.00 0.00 43.02 41.66 2cum s PHE 92 CO 0.03 -0.13 0.17 0.99 -1.34 0.00 0.00 175.22 174.94 2cum s THR 93 N 0.56 5.42 0.40 -4.49 2.01 -1.26 -2.17 115.64 116.10 2cum s THR 93 Ca -0.04 0.28 -0.13 0.00 0.31 0.00 0.00 61.69 62.11 2cum s THR 93 Cb -0.05 -3.47 -0.08 0.00 0.01 0.00 0.00 72.50 68.91 2cum s THR 93 CO -0.03 0.52 0.80 0.42 -0.69 0.00 0.00 174.62 175.64 2cum s THR 94 N -0.35 4.71 0.00 -0.82 -4.23 -1.22 -4.85 115.64 108.87 2cum s THR 94 Ca 0.13 0.83 0.00 0.00 -1.18 0.00 0.00 61.69 61.47 2cum s THR 94 Cb -0.12 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.03 2cum s THR 94 CO 0.02 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 2cum n GLY 95 N -1.05 -2.44 2.99 3.99 0.00 -1.26 -2.25 105.19 105.17 2cum n GLY 95 Ca 0.03 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 2cum n GLY 95 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2cum s GLY 96 N 0.00 0.07 0.00 -0.02 0.00 -1.26 0.67 107.32 106.78 2cum s GLY 96 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 44.72 44.26 2cum s GLY 96 CO 0.00 -0.22 1.63 1.08 0.00 0.00 0.00 173.10 175.59 2cum s LEU 97 N -0.82 4.34 -0.83 0.66 1.43 -1.26 -2.43 118.68 119.78 2cum s LEU 97 Ca -0.09 2.33 -0.05 0.00 -1.03 0.00 0.00 54.13 55.29 2cum s LEU 97 Cb -0.05 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.62 2cum s LEU 97 CO 0.00 -0.89 0.67 -1.14 0.23 0.00 0.00 176.35 175.22 2cum n ARG 98 N 6.34 -4.55 -3.94 1.70 3.00 -1.26 -5.01 116.66 112.94 2cum n ARG 98 Ca 0.16 0.50 -0.35 0.00 -0.00 0.00 0.00 57.85 58.17 2cum n ARG 98 Cb 0.42 -4.54 -0.14 0.00 0.00 0.00 0.00 32.46 28.20 2cum n ARG 98 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2cum s ILE 99 N -3.16 2.93 0.12 5.15 -1.09 -1.02 -4.99 121.20 119.14 2cum s ILE 99 Ca 0.33 -1.13 -0.17 0.00 -2.23 0.00 0.00 60.65 57.45 2cum s ILE 99 Cb -0.15 -2.55 -0.04 0.00 -1.58 0.00 0.00 42.46 38.14 2cum s ILE 99 CO 0.41 0.10 1.65 -1.28 -1.23 0.00 0.00 174.94 174.59 2cum h SER 100 N 8.01 0.45 -4.18 3.58 0.87 -1.95 -3.46 113.55 116.88 2cum h SER 100 Ca -0.29 -0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2cum h SER 100 Cb 1.09 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2cum h SER 100 CO 0.56 0.51 0.00 0.61 -0.53 0.00 0.00 176.83 177.98 2cum n GLY 101 N -0.70 -1.12 3.75 5.77 0.00 -1.26 -4.91 105.19 106.72 2cum n GLY 101 Ca -0.02 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 2cum n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cum s PRO 102 N -1.40 4.43 0.67 1.61 0.04 -1.26 -5.04 135.00 134.04 2cum s PRO 102 Ca 0.00 2.06 0.01 0.00 0.04 0.00 0.00 61.00 63.10 2cum s PRO 102 Cb 0.00 -3.16 0.10 0.00 0.04 0.00 0.00 34.50 31.49 2cum s PRO 102 CO 0.00 -0.15 0.93 -1.12 0.04 0.00 0.00 177.00 176.70 2cum s SER 103 N -0.14 4.61 0.53 6.66 0.01 -1.26 -5.11 113.70 119.00 2cum s SER 103 Ca 0.52 -0.36 -0.00 0.00 1.31 0.00 0.00 55.95 57.42 2cum s SER 103 Cb -0.37 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 65.75 2cum s SER 103 CO 0.43 -1.67 0.77 -0.94 0.41 0.00 0.00 173.24 172.25 2cum s SER 104 N -4.67 5.45 0.00 2.44 1.04 -1.26 -5.33 113.70 111.38 2cum s SER 104 Ca 0.64 0.19 0.00 0.00 0.48 0.00 0.00 55.95 57.26 2cum s SER 104 Cb -0.06 -1.19 0.00 0.00 0.10 0.00 0.00 66.02 64.87 2cum s SER 104 CO 0.43 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 174.23