#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5f s SER 2 N 0.00 -0.43 0.26 1.61 1.04 -1.26 -5.19 113.70 109.73 1x5f s SER 2 Ca 0.00 -0.19 -0.10 0.00 0.48 0.00 0.00 55.95 56.14 1x5f s SER 2 Cb 0.00 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.70 1x5f s SER 2 CO 0.00 -1.00 0.45 -0.44 0.98 0.00 0.00 173.24 173.23 1x5f s SER 3 N -2.80 0.09 0.00 7.02 0.01 -1.26 -5.18 113.70 111.58 1x5f s SER 3 Ca 0.04 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.23 1x5f s SER 3 Cb -0.01 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.80 1x5f s SER 3 CO -0.09 -1.15 0.00 0.61 0.41 0.00 0.00 173.24 173.02 1x5f n GLY 4 N -0.40 1.89 3.61 3.44 0.00 -1.26 -5.18 105.19 107.29 1x5f n GLY 4 Ca -0.01 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 1x5f n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5f s SER 5 N 0.79 -0.79 -0.15 1.61 0.01 -1.26 -5.16 113.70 108.75 1x5f s SER 5 Ca 0.00 1.42 -0.09 0.00 1.31 0.00 0.00 55.95 58.59 1x5f s SER 5 Cb 0.00 1.39 0.05 0.00 0.21 0.00 0.00 66.02 67.67 1x5f s SER 5 CO 0.00 -0.24 0.36 -0.55 0.41 0.00 0.00 173.24 173.22 1x5f s SER 6 N 0.78 -0.43 -0.31 2.44 0.15 -1.26 -5.08 113.70 109.99 1x5f s SER 6 Ca -0.03 0.78 -0.02 0.00 0.70 0.00 0.00 55.95 57.37 1x5f s SER 6 Cb -0.05 0.69 0.29 0.00 -1.71 0.00 0.00 66.02 65.24 1x5f s SER 6 CO -0.06 -0.17 1.32 0.61 1.20 0.00 0.00 173.24 176.14 1x5f n GLY 7 N 3.91 -1.94 3.22 9.45 0.00 -1.26 -5.15 105.19 113.43 1x5f n GLY 7 Ca -0.21 1.08 -0.33 0.00 0.00 0.00 0.00 46.02 46.56 1x5f n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5f s GLU 8 N 0.03 3.14 0.59 1.61 0.41 -1.26 -5.12 118.70 118.10 1x5f s GLU 8 Ca 0.24 -0.78 -0.17 0.00 -0.41 0.00 0.00 54.97 53.85 1x5f s GLU 8 Cb 0.22 -2.58 -0.04 0.00 -1.78 0.00 0.00 34.13 29.95 1x5f s GLU 8 CO -0.10 -0.03 1.09 -1.58 -0.49 0.00 0.00 175.26 174.16 1x5f s HIS 9 N 0.90 2.77 -0.19 1.61 5.65 -1.26 -4.99 115.29 119.78 1x5f s HIS 9 Ca -0.04 1.54 -0.28 0.00 0.25 0.00 0.00 55.06 56.53 1x5f s HIS 9 Cb -0.15 -3.15 -0.00 0.00 -1.18 0.00 0.00 32.58 28.09 1x5f s HIS 9 CO -0.02 -1.42 0.98 0.00 -0.65 0.00 0.00 174.74 173.63 1x5f s ALA 10 N -2.15 3.58 -0.81 1.58 0.00 -1.26 -4.97 121.76 117.72 1x5f s ALA 10 Ca 0.68 0.18 -0.25 0.00 0.00 0.00 0.00 51.96 52.57 1x5f s ALA 10 Cb -0.20 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 1x5f s ALA 10 CO 0.33 -0.85 1.92 -1.25 0.00 0.00 0.00 175.76 175.91 1x5f s PRO 11 N 2.67 2.58 1.13 0.00 0.04 -1.26 -4.97 135.00 135.19 1x5f s PRO 11 Ca 0.43 -0.01 -0.12 0.00 0.04 0.00 0.00 61.00 61.33 1x5f s PRO 11 Cb -0.16 -4.86 0.26 0.00 0.04 0.00 0.00 34.50 29.79 1x5f s PRO 11 CO 0.10 -3.18 1.04 0.00 0.04 0.00 0.00 177.00 175.01 1x5f s ALA 12 N 9.77 -0.17 0.03 8.56 0.00 -1.26 -5.06 121.76 133.64 1x5f s ALA 12 Ca 0.69 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.60 1x5f s ALA 12 Cb -0.08 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1x5f s ALA 12 CO 0.06 -3.66 -0.07 -0.08 0.00 0.00 0.00 175.76 172.01 1x5f s THR 13 N -2.52 0.52 -0.31 0.00 -1.32 -1.26 -5.13 115.64 105.61 1x5f s THR 13 Ca 0.68 -0.92 -0.08 0.00 -1.21 0.00 0.00 61.69 60.16 1x5f s THR 13 Cb -0.24 -0.56 0.01 0.00 -1.51 0.00 0.00 72.50 70.19 1x5f s THR 13 CO 0.63 -0.29 0.12 0.42 -2.21 0.00 0.00 174.62 173.29 1x5f s THR 14 N -1.14 4.23 0.00 5.08 -4.23 -1.26 -5.10 115.64 113.22 1x5f s THR 14 Ca -0.08 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1x5f s THR 14 Cb -0.08 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.56 1x5f s THR 14 CO 0.00 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 1x5f n GLY 15 N 4.92 -1.56 3.74 3.99 0.00 -1.26 -5.04 105.19 109.97 1x5f n GLY 15 Ca -0.14 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 1x5f n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5f s PRO 16 N -2.21 1.68 0.19 1.61 0.04 -1.26 -5.07 135.00 129.97 1x5f s PRO 16 Ca 0.00 0.97 0.11 0.00 0.04 0.00 0.00 61.00 62.12 1x5f s PRO 16 Cb 0.00 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1x5f s PRO 16 CO 0.00 -1.99 -0.23 -0.51 0.04 0.00 0.00 177.00 174.31 1x5f s LEU 17 N -6.10 2.48 0.00 -3.56 1.43 -1.26 -4.96 118.68 106.71 1x5f s LEU 17 Ca 0.62 -0.84 -0.09 0.00 -1.03 0.00 0.00 54.13 52.79 1x5f s LEU 17 Cb -0.18 -1.22 0.14 0.00 0.03 0.00 0.00 46.19 44.97 1x5f s LEU 17 CO 0.57 0.12 0.50 -0.81 0.23 0.00 0.00 176.35 176.95 1x5f n PRO 18 N 0.26 -2.00 -4.40 1.29 -0.04 -1.26 -4.93 135.00 123.92 1x5f n PRO 18 Ca -0.12 -0.80 -0.24 0.00 -0.04 0.00 0.00 63.50 62.30 1x5f n PRO 18 Cb 0.56 -0.75 -0.13 0.00 -0.04 0.00 0.00 33.50 33.14 1x5f n PRO 18 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x5f s SER 19 N -2.85 2.43 0.66 3.54 1.04 -1.26 -3.29 113.70 113.97 1x5f s SER 19 Ca 0.32 -0.62 -0.17 0.00 0.48 0.00 0.00 55.95 55.97 1x5f s SER 19 Cb -0.03 -0.16 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 1x5f s SER 19 CO 0.25 0.09 0.95 0.00 0.98 0.00 0.00 173.24 175.51 1x5f n ALA 20 N 1.39 -0.02 -1.21 5.32 0.00 -1.09 -4.60 120.51 120.30 1x5f n ALA 20 Ca -0.19 -0.08 -0.30 0.00 0.00 0.00 0.00 53.44 52.88 1x5f n ALA 20 Cb 0.54 -2.11 0.13 0.00 0.00 0.00 0.00 19.45 18.01 1x5f n ALA 20 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x5f s PRO 21 N -3.00 1.33 0.42 0.00 0.04 -1.26 -4.55 135.00 127.97 1x5f s PRO 21 Ca 0.75 0.85 0.02 0.00 0.04 0.00 0.00 61.00 62.66 1x5f s PRO 21 Cb -0.38 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.36 1x5f s PRO 21 CO 0.48 -2.20 0.18 0.54 0.04 0.00 0.00 177.00 176.04 1x5f n ARG 22 N -3.86 0.93 -3.18 4.56 1.74 -1.24 -4.71 116.66 110.91 1x5f n ARG 22 Ca 0.07 -2.79 -0.22 0.00 -0.77 0.00 0.00 57.85 54.14 1x5f n ARG 22 Cb 0.55 0.51 0.01 0.00 -1.02 0.00 0.00 32.46 32.51 1x5f n ARG 22 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1x5f n ASP 23 N -1.59 -4.32 -4.57 0.55 -0.08 -1.26 -1.19 116.55 104.09 1x5f n ASP 23 Ca -0.08 -0.30 -0.40 0.00 -1.51 0.00 0.00 54.79 52.50 1x5f n ASP 23 Cb 0.50 -3.56 -0.03 0.00 2.34 0.00 0.00 41.12 40.37 1x5f n ASP 23 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1x5f s VAL 24 N -2.96 3.31 0.24 5.18 1.01 -1.26 -4.22 120.40 121.70 1x5f s VAL 24 Ca 0.33 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.57 1x5f s VAL 24 Cb -0.17 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1x5f s VAL 24 CO 0.41 -0.54 0.09 0.68 0.00 0.00 0.00 175.10 175.74 1x5f s VAL 25 N 8.91 0.49 -0.48 2.92 -7.23 0.48 -4.99 120.40 120.50 1x5f s VAL 25 Ca 0.79 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.85 1x5f s VAL 25 Cb -0.18 -2.53 0.11 0.00 0.56 0.00 0.00 36.38 34.34 1x5f s VAL 25 CO 0.27 -0.08 0.37 0.00 -0.31 0.00 0.00 175.10 175.35 1x5f s ALA 26 N -3.81 3.44 0.62 1.32 0.00 -1.26 0.62 121.76 122.70 1x5f s ALA 26 Ca 0.36 -2.46 0.28 0.00 0.00 0.00 0.00 51.96 50.14 1x5f s ALA 26 Cb 0.07 -2.90 1.48 0.00 0.00 0.00 0.00 23.12 21.77 1x5f s ALA 26 CO 0.12 -1.88 1.87 1.03 0.00 0.00 0.00 175.76 176.89 1x5f h SER 27 N 8.55 0.00 -4.18 0.00 0.87 -1.26 -3.43 113.55 114.11 1x5f h SER 27 Ca -0.24 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.44 1x5f h SER 27 Cb 1.08 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 62.83 1x5f h SER 27 CO 0.88 0.00 0.58 -0.22 -0.53 0.00 0.00 176.83 177.55 1x5f s LEU 28 N -6.65 -0.33 -0.31 2.23 0.20 -1.07 -4.97 118.68 107.78 1x5f s LEU 28 Ca -0.04 0.26 0.01 0.00 0.69 0.00 0.00 54.13 55.06 1x5f s LEU 28 Cb 0.12 1.81 0.09 0.00 -0.43 0.00 0.00 46.19 47.78 1x5f s LEU 28 CO 0.42 -0.37 0.06 -0.69 -0.29 0.00 0.00 176.35 175.47 1x5f s VAL 29 N -1.65 1.54 0.58 1.68 1.01 -1.26 0.11 120.40 122.42 1x5f s VAL 29 Ca 0.01 -1.76 -0.05 0.00 0.00 0.00 0.00 61.98 60.19 1x5f s VAL 29 Cb -0.01 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.28 1x5f s VAL 29 CO -0.02 -0.56 0.88 -0.55 0.00 0.00 0.00 175.10 174.85 1x5f s SER 30 N 1.29 5.59 0.32 3.32 0.15 0.20 -4.58 113.70 119.98 1x5f s SER 30 Ca 0.08 0.65 0.17 0.00 0.70 0.00 0.00 55.95 57.54 1x5f s SER 30 Cb -0.18 -1.65 0.36 0.00 -1.71 0.00 0.00 66.02 62.83 1x5f s SER 30 CO -0.15 -1.04 1.58 0.71 1.20 0.00 0.00 173.24 175.53 1x5f h THR 31 N -0.12 0.91 -0.01 6.45 1.35 -1.96 -3.24 112.91 116.29 1x5f h THR 31 Ca -0.45 -1.94 0.00 0.00 -0.55 0.00 0.00 66.41 63.47 1x5f h THR 31 Cb 1.26 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 1x5f h THR 31 CO 0.60 0.46 -0.16 0.54 -0.25 0.00 0.00 175.52 176.71 1x5f n ARG 32 N -3.37 2.01 -3.70 4.72 1.74 -1.26 -2.20 116.66 114.59 1x5f n ARG 32 Ca 0.01 -0.59 -0.08 0.00 -0.77 0.00 0.00 57.85 56.41 1x5f n ARG 32 Cb 0.63 -1.04 0.03 0.00 -1.02 0.00 0.00 32.46 31.06 1x5f n ARG 32 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1x5f n PHE 33 N -0.22 -2.26 -3.69 -1.55 1.16 -1.22 -1.51 117.46 108.17 1x5f n PHE 33 Ca 0.04 -1.77 -0.11 0.00 -1.87 0.00 0.00 57.45 53.74 1x5f n PHE 33 Cb 0.18 0.88 -0.12 0.00 -1.61 0.00 0.00 39.48 38.81 1x5f n PHE 33 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1x5f s ILE 34 N -2.12 -0.22 -0.12 1.97 1.01 -0.82 0.58 121.20 121.48 1x5f s ILE 34 Ca 0.16 0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.71 1x5f s ILE 34 Cb -0.05 -0.51 -0.02 0.00 0.01 0.00 0.00 42.46 41.89 1x5f s ILE 34 CO 0.11 0.07 0.85 -0.75 0.00 0.00 0.00 174.94 175.22 1x5f s LYS 35 N 1.78 4.37 0.20 2.79 2.47 0.31 -2.16 119.74 129.51 1x5f s LYS 35 Ca -0.06 1.09 0.08 0.00 -1.56 0.00 0.00 55.97 55.52 1x5f s LYS 35 Cb -0.10 -3.53 -0.04 0.00 -1.46 0.00 0.00 37.83 32.69 1x5f s LYS 35 CO -0.11 -0.22 0.03 -0.51 0.16 0.00 0.00 175.35 174.70 1x5f s LEU 36 N 1.75 3.37 -0.23 5.43 2.01 -0.55 -0.88 118.68 129.58 1x5f s LEU 36 Ca 0.41 -0.41 -0.14 0.00 0.01 0.00 0.00 54.13 54.00 1x5f s LEU 36 Cb -0.18 -1.99 0.07 0.00 0.01 0.00 0.00 46.19 44.11 1x5f s LEU 36 CO 0.16 0.06 0.58 0.42 1.01 0.00 0.00 176.35 178.58 1x5f s THR 37 N -1.88 -0.01 0.08 5.49 -4.23 0.20 -2.68 115.64 112.61 1x5f s THR 37 Ca 0.29 0.03 -0.08 0.00 -1.18 0.00 0.00 61.69 60.75 1x5f s THR 37 Cb -0.09 -0.84 -0.00 0.00 1.34 0.00 0.00 72.50 72.91 1x5f s THR 37 CO 0.20 0.01 0.18 -1.66 -0.54 0.00 0.00 174.62 172.81 1x5f s TRP 38 N 1.43 0.16 0.68 3.99 -2.14 -0.66 -0.38 118.94 122.02 1x5f s TRP 38 Ca -0.09 -0.57 0.01 0.00 2.66 0.00 0.00 56.10 58.11 1x5f s TRP 38 Cb -0.06 -0.08 0.13 0.00 -3.10 0.00 0.00 33.47 30.36 1x5f s TRP 38 CO -0.15 -0.52 0.93 0.54 -2.66 0.00 0.00 176.95 175.09 1x5f n ARG 39 N 0.07 0.00 -2.40 3.25 1.74 -0.33 -4.63 116.66 114.35 1x5f n ARG 39 Ca -0.16 -2.64 -0.38 0.00 -0.77 0.00 0.00 57.85 53.90 1x5f n ARG 39 Cb 0.62 -0.59 -0.03 0.00 -1.02 0.00 0.00 32.46 31.44 1x5f n ARG 39 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1x5f s THR 40 N -2.88 3.38 0.66 0.55 -4.23 -1.26 -3.65 115.64 108.20 1x5f s THR 40 Ca 0.63 1.17 -0.15 0.00 -1.18 0.00 0.00 61.69 62.15 1x5f s THR 40 Cb -0.04 -3.66 -0.00 0.00 1.34 0.00 0.00 72.50 70.14 1x5f s THR 40 CO 0.41 0.11 1.11 -2.16 -0.54 0.00 0.00 174.62 173.56 1x5f s PRO 41 N -2.20 2.81 0.27 3.99 0.04 -1.07 -4.36 135.00 134.48 1x5f s PRO 41 Ca 0.55 1.40 -0.02 0.00 0.04 0.00 0.00 61.00 62.97 1x5f s PRO 41 Cb -0.28 -1.95 0.45 0.00 0.04 0.00 0.00 34.50 32.75 1x5f s PRO 41 CO 0.36 -1.24 1.86 0.00 0.04 0.00 0.00 177.00 178.01 1x5f h ALA 42 N 0.06 1.39 -0.64 8.56 0.00 -1.84 -1.61 119.26 125.18 1x5f h ALA 42 Ca -0.47 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 1x5f h ALA 42 Cb 1.25 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1x5f h ALA 42 CO 0.54 0.33 0.08 0.77 0.00 0.00 0.00 179.25 180.97 1x5f h SER 43 N 1.07 1.04 -3.45 0.00 0.02 -1.92 -3.38 113.55 106.92 1x5f h SER 43 Ca 0.45 -0.26 -0.61 0.00 -0.84 0.00 0.00 61.79 60.52 1x5f h SER 43 Cb 0.29 -0.28 -0.40 0.00 0.14 0.00 0.00 62.40 62.15 1x5f h SER 43 CO -0.21 1.04 -0.73 -1.81 -1.14 0.00 0.00 176.83 173.98 1x5f s ASP 44 N -6.54 4.21 0.00 3.07 1.11 -0.62 -4.96 116.67 112.95 1x5f s ASP 44 Ca -0.12 -2.05 0.14 0.00 0.18 0.00 0.00 52.55 50.71 1x5f s ASP 44 Cb 0.14 -1.18 0.61 0.00 1.07 0.00 0.00 42.92 43.57 1x5f s ASP 44 CO 0.85 -0.37 1.45 -0.81 1.18 0.00 0.00 175.17 177.47 1x5f n PRO 45 N 4.34 0.01 -0.02 8.23 -0.04 -1.12 -2.59 135.00 143.81 1x5f n PRO 45 Ca 0.02 0.25 -0.01 0.00 -0.04 0.00 0.00 63.50 63.73 1x5f n PRO 45 Cb 0.40 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 1x5f n PRO 45 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1x5f n HIS 46 N -1.49 0.00 -3.12 0.54 8.25 -1.26 -4.77 115.22 113.36 1x5f n HIS 46 Ca 0.04 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.27 1x5f n HIS 46 Cb 0.16 -0.21 -0.04 0.00 1.12 0.00 0.00 29.99 31.02 1x5f n HIS 46 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x5f n GLY 47 N 2.49 -0.24 0.01 -1.41 0.00 -1.13 -4.68 105.19 100.22 1x5f n GLY 47 Ca -0.06 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1x5f n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x5f n ASP 48 N -1.11 0.69 -0.70 1.61 2.03 -1.26 -3.87 116.55 113.94 1x5f n ASP 48 Ca 0.06 -0.47 0.07 0.00 0.52 0.00 0.00 54.79 54.97 1x5f n ASP 48 Cb 0.27 0.65 0.20 0.00 -0.72 0.00 0.00 41.12 41.52 1x5f n ASP 48 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1x5f n ASN 49 N -1.63 3.35 -3.78 1.67 0.23 -1.26 -4.69 115.26 109.15 1x5f n ASN 49 Ca 0.04 -2.61 -0.13 0.00 -0.53 0.00 0.00 54.58 51.35 1x5f n ASN 49 Cb 0.36 -0.40 -0.14 0.00 -2.08 0.00 0.00 39.78 37.53 1x5f n ASN 49 CO 0.00 0.00 0.00 -1.48 -0.93 0.00 0.00 177.26 174.85 1x5f s LEU 50 N -2.09 0.99 0.00 -4.53 0.05 -1.26 -4.44 118.68 107.41 1x5f s LEU 50 Ca 0.33 0.30 -0.18 0.00 0.05 0.00 0.00 54.13 54.63 1x5f s LEU 50 Cb 0.24 0.43 0.25 0.00 -2.05 0.00 0.00 46.19 45.06 1x5f s LEU 50 CO 0.10 -0.11 1.22 0.41 -0.55 0.00 0.00 176.35 177.42 1x5f n THR 51 N 3.74 0.00 -3.76 5.48 -1.04 0.21 -2.91 114.28 116.00 1x5f n THR 51 Ca -0.21 -0.78 -0.19 0.00 -2.04 0.00 0.00 64.05 60.83 1x5f n THR 51 Cb 0.55 -1.42 -0.17 0.00 -1.82 0.00 0.00 70.33 67.47 1x5f n THR 51 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1x5f s TYR 52 N -3.51 0.25 -0.06 -1.42 2.02 -1.26 -0.64 117.35 112.73 1x5f s TYR 52 Ca 0.72 0.09 -0.04 0.00 -0.37 0.00 0.00 57.07 57.47 1x5f s TYR 52 Cb -0.04 -0.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.97 1x5f s TYR 52 CO 0.52 -0.20 0.13 -1.12 -1.57 0.00 0.00 175.55 173.31 1x5f s SER 53 N 1.76 6.14 -0.25 2.29 0.01 0.11 -2.96 113.70 120.78 1x5f s SER 53 Ca 0.00 0.34 0.02 0.00 1.31 0.00 0.00 55.95 57.62 1x5f s SER 53 Cb -0.12 -1.91 0.06 0.00 0.21 0.00 0.00 66.02 64.26 1x5f s SER 53 CO -0.03 0.34 -0.08 -0.69 0.41 0.00 0.00 173.24 173.19 1x5f s VAL 54 N -1.13 1.85 -0.27 3.43 1.01 -1.13 -1.01 120.40 123.15 1x5f s VAL 54 Ca 0.20 -1.46 -0.14 0.00 0.00 0.00 0.00 61.98 60.58 1x5f s VAL 54 Cb -0.12 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1x5f s VAL 54 CO 0.10 -0.09 0.33 -0.36 0.00 0.00 0.00 175.10 175.08 1x5f s PHE 55 N 1.24 3.25 -0.05 5.22 0.40 0.79 -1.42 117.98 127.41 1x5f s PHE 55 Ca -0.07 0.35 0.06 0.00 -0.60 0.00 0.00 56.93 56.67 1x5f s PHE 55 Cb -0.19 -2.52 -0.01 0.00 0.51 0.00 0.00 43.02 40.81 1x5f s PHE 55 CO -0.06 -0.19 -0.24 1.52 0.70 0.00 0.00 175.22 176.95 1x5f s TYR 56 N 1.93 2.31 -0.10 0.36 -0.85 -0.80 0.28 117.35 120.48 1x5f s TYR 56 Ca 0.13 -0.67 -0.14 0.00 -0.52 0.00 0.00 57.07 55.87 1x5f s TYR 56 Cb -0.16 -1.52 0.03 0.00 0.38 0.00 0.00 41.96 40.70 1x5f s TYR 56 CO 0.10 -0.20 0.37 -0.08 -1.52 0.00 0.00 175.55 174.22 1x5f s THR 57 N -0.17 0.02 0.34 -3.49 -1.32 -0.93 -2.22 115.64 107.88 1x5f s THR 57 Ca -0.03 -0.14 -0.29 0.00 -1.21 0.00 0.00 61.69 60.03 1x5f s THR 57 Cb -0.13 -0.57 -0.10 0.00 -1.51 0.00 0.00 72.50 70.18 1x5f s THR 57 CO 0.03 -0.08 1.36 -0.75 -2.21 0.00 0.00 174.62 172.97 1x5f s LYS 58 N -0.30 4.28 -0.39 7.08 2.20 -1.26 -0.31 119.74 131.05 1x5f s LYS 58 Ca -0.04 2.32 -0.33 0.00 -0.36 0.00 0.00 55.97 57.56 1x5f s LYS 58 Cb -0.03 -3.04 -0.10 0.00 -1.51 0.00 0.00 37.83 33.14 1x5f s LYS 58 CO 0.02 -0.29 2.26 -1.91 -0.36 0.00 0.00 175.35 175.07 1x5f n GLU 59 N 0.72 1.14 0.00 4.03 2.13 -1.20 -0.52 120.64 126.94 1x5f n GLU 59 Ca 0.00 0.27 0.00 0.00 0.66 0.00 0.00 57.16 58.10 1x5f n GLU 59 Cb 0.41 -2.65 0.00 0.00 0.27 0.00 0.00 31.44 29.47 1x5f n GLU 59 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x5f n GLY 60 N 6.35 0.89 3.70 8.31 0.00 -1.26 -5.08 105.19 118.10 1x5f n GLY 60 Ca 0.41 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1x5f n GLY 60 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5f s ILE 61 N -0.90 4.85 -0.36 -0.61 -1.09 0.32 -4.93 121.20 118.48 1x5f s ILE 61 Ca 0.00 1.97 0.26 0.00 -2.23 0.00 0.00 60.65 60.65 1x5f s ILE 61 Cb 0.00 -4.28 0.34 0.00 -1.58 0.00 0.00 42.46 36.94 1x5f s ILE 61 CO 0.00 0.10 1.75 0.00 -1.23 0.00 0.00 174.94 175.55 1x5f h ALA 62 N 6.95 1.00 -2.55 9.38 0.00 -1.98 -3.42 119.26 128.63 1x5f h ALA 62 Ca -0.36 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.01 1x5f h ALA 62 Cb 1.18 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1x5f h ALA 62 CO 0.80 0.00 0.02 1.03 0.00 0.00 0.00 179.25 181.10 1x5f s ARG 63 N -3.31 4.13 0.12 0.00 1.81 -1.26 -5.08 118.95 115.35 1x5f s ARG 63 Ca 0.06 0.70 -0.09 0.00 -1.72 0.00 0.00 55.73 54.68 1x5f s ARG 63 Cb 0.08 -2.89 -0.00 0.00 -0.45 0.00 0.00 34.95 31.68 1x5f s ARG 63 CO 0.60 0.43 0.24 -1.83 -0.68 0.00 0.00 175.30 174.06 1x5f s GLU 64 N -1.99 0.99 -0.04 3.54 -1.05 -1.26 -4.58 118.70 114.31 1x5f s GLU 64 Ca 0.41 -1.04 0.06 0.00 -0.15 0.00 0.00 54.97 54.25 1x5f s GLU 64 Cb -0.16 0.36 -0.02 0.00 -0.44 0.00 0.00 34.13 33.88 1x5f s GLU 64 CO 0.20 -0.34 -0.23 1.03 0.95 0.00 0.00 175.26 176.87 1x5f s ARG 65 N -3.90 2.37 -0.11 -4.83 1.81 -0.94 -4.92 118.95 108.42 1x5f s ARG 65 Ca 0.10 -0.86 -0.09 0.00 -1.72 0.00 0.00 55.73 53.16 1x5f s ARG 65 Cb 0.04 -2.17 -0.04 0.00 -0.45 0.00 0.00 34.95 32.32 1x5f s ARG 65 CO -0.06 0.51 0.19 0.54 -0.68 0.00 0.00 175.30 175.80 1x5f s VAL 66 N -0.48 5.41 -0.28 3.52 0.11 -1.26 -1.91 120.40 125.51 1x5f s VAL 66 Ca 0.06 0.33 0.03 0.00 -2.93 0.00 0.00 61.98 59.47 1x5f s VAL 66 Cb -0.11 -3.47 0.07 0.00 -1.53 0.00 0.00 36.38 31.34 1x5f s VAL 66 CO 0.01 0.58 -0.05 -0.70 -3.33 0.00 0.00 175.10 171.62 1x5f s GLU 67 N -0.82 1.86 -0.04 1.54 -6.30 -0.51 -4.91 118.70 109.52 1x5f s GLU 67 Ca 0.16 -1.44 -0.30 0.00 -2.50 0.00 0.00 54.97 50.89 1x5f s GLU 67 Cb -0.13 -2.90 -0.04 0.00 0.00 0.00 0.00 34.13 31.06 1x5f s GLU 67 CO 0.05 -0.70 1.23 -0.80 0.02 0.00 0.00 175.26 175.06 1x5f s ASN 68 N 1.11 7.02 -0.04 -1.70 0.02 -1.26 -2.85 114.94 117.24 1x5f s ASN 68 Ca -0.02 1.87 -0.34 0.00 -1.02 0.00 0.00 52.86 53.35 1x5f s ASN 68 Cb -0.19 -2.56 -0.12 0.00 0.02 0.00 0.00 41.25 38.40 1x5f s ASN 68 CO -0.07 -0.60 1.83 0.35 0.02 0.00 0.00 177.10 178.63 1x5f n THR 69 N 4.59 0.47 -0.45 1.60 -2.24 -1.16 -4.77 114.28 112.33 1x5f n THR 69 Ca 0.11 -0.08 0.36 0.00 -2.27 0.00 0.00 64.05 62.16 1x5f n THR 69 Cb 0.46 -1.82 0.57 0.00 -2.10 0.00 0.00 70.33 67.44 1x5f n THR 69 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1x5f n SER 70 N 6.04 0.09 -4.01 3.42 2.88 -1.26 -4.13 113.62 116.64 1x5f n SER 70 Ca 0.21 0.93 -0.16 0.00 -1.33 0.00 0.00 58.87 58.52 1x5f n SER 70 Cb 0.30 -0.46 -0.13 0.00 -0.75 0.00 0.00 64.21 63.16 1x5f n SER 70 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1x5f s HIS 71 N -4.66 0.62 0.19 0.66 3.76 -1.26 -5.13 115.29 109.47 1x5f s HIS 71 Ca -0.05 -0.24 -0.30 0.00 -0.15 0.00 0.00 55.06 54.32 1x5f s HIS 71 Cb 0.22 -0.39 -0.09 0.00 1.11 0.00 0.00 32.58 33.44 1x5f s HIS 71 CO 0.66 -0.03 1.31 -1.25 -0.85 0.00 0.00 174.74 174.58 1x5f s PRO 72 N -0.64 4.38 0.00 8.40 0.04 -1.26 -3.04 135.00 142.89 1x5f s PRO 72 Ca -0.01 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1x5f s PRO 72 Cb -0.05 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1x5f s PRO 72 CO 0.00 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.18 1x5f n GLY 73 N 2.48 2.96 3.35 0.56 0.00 -1.15 -4.93 105.19 108.46 1x5f n GLY 73 Ca 0.07 -0.05 -0.60 0.00 0.00 0.00 0.00 46.02 45.43 1x5f n GLY 73 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x5f n GLU 74 N 0.00 0.00 -0.29 1.61 4.07 -1.17 -4.77 120.64 120.10 1x5f n GLU 74 Ca 0.00 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1x5f n GLU 74 Cb 0.00 -1.34 0.10 0.00 -0.06 0.00 0.00 31.44 30.14 1x5f n GLU 74 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 1x5f n MET 75 N 3.44 1.93 -3.59 5.31 2.81 -1.26 -4.82 117.12 120.94 1x5f n MET 75 Ca 0.27 -0.91 -0.10 0.00 -1.81 0.00 0.00 57.70 55.16 1x5f n MET 75 Cb -0.05 -1.62 -0.05 0.00 -0.71 0.00 0.00 33.22 30.79 1x5f n MET 75 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1x5f s GLN 76 N -1.36 0.55 0.07 0.03 -2.07 -1.26 -1.65 119.66 113.96 1x5f s GLN 76 Ca 0.16 0.16 -0.18 0.00 -1.82 0.00 0.00 55.36 53.68 1x5f s GLN 76 Cb 0.13 0.26 0.04 0.00 -1.09 0.00 0.00 33.01 32.34 1x5f s GLN 76 CO 0.04 -0.17 0.42 0.54 -1.32 0.00 0.00 175.29 174.81 1x5f s VAL 77 N -1.03 0.06 -0.15 3.63 0.11 -1.09 -4.97 120.40 116.95 1x5f s VAL 77 Ca -0.01 -0.46 -0.04 0.00 -2.93 0.00 0.00 61.98 58.53 1x5f s VAL 77 Cb -0.01 -1.02 -0.03 0.00 -1.53 0.00 0.00 36.38 33.79 1x5f s VAL 77 CO 0.00 -0.26 -0.01 -0.89 -3.33 0.00 0.00 175.10 170.62 1x5f s THR 78 N -2.88 4.19 -0.57 5.04 2.01 -1.26 -1.48 115.64 120.69 1x5f s THR 78 Ca -0.03 -0.26 -0.06 0.00 0.31 0.00 0.00 61.69 61.65 1x5f s THR 78 Cb 0.00 -2.84 0.15 0.00 0.01 0.00 0.00 72.50 69.82 1x5f s THR 78 CO -0.05 0.50 0.42 -0.63 -0.69 0.00 0.00 174.62 174.17 1x5f s ILE 79 N 0.20 4.06 0.49 1.82 -1.09 -0.92 -4.97 121.20 120.78 1x5f s ILE 79 Ca 0.00 -2.39 -0.04 0.00 -2.23 0.00 0.00 60.65 55.99 1x5f s ILE 79 Cb -0.13 -3.65 0.10 0.00 -1.58 0.00 0.00 42.46 37.20 1x5f s ILE 79 CO 0.02 -0.84 0.66 0.00 -1.23 0.00 0.00 174.94 173.56 1x5f n GLN 80 N 4.16 -0.17 -3.19 2.79 6.02 -1.26 -1.94 117.38 123.80 1x5f n GLN 80 Ca 0.02 -1.46 -0.14 0.00 -0.01 0.00 0.00 57.00 55.41 1x5f n GLN 80 Cb 0.41 -0.55 0.07 0.00 1.02 0.00 0.00 30.24 31.19 1x5f n GLN 80 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x5f n ASN 81 N -3.15 -3.00 -4.42 1.08 4.13 -0.98 -4.90 115.26 104.02 1x5f n ASN 81 Ca 0.10 -0.56 -0.21 0.00 1.68 0.00 0.00 54.58 55.59 1x5f n ASN 81 Cb 0.35 -4.54 -0.10 0.00 -1.54 0.00 0.00 39.78 33.95 1x5f n ASN 81 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1x5f s LEU 82 N -5.61 2.43 -0.14 3.41 1.43 -0.57 -5.03 118.68 114.60 1x5f s LEU 82 Ca 0.10 -1.21 -0.07 0.00 -1.03 0.00 0.00 54.13 51.91 1x5f s LEU 82 Cb -0.01 -0.57 -0.04 0.00 0.03 0.00 0.00 46.19 45.60 1x5f s LEU 82 CO 0.64 -0.39 0.10 -0.32 0.23 0.00 0.00 176.35 176.61 1x5f s MET 83 N -3.76 3.60 0.69 1.70 -2.45 -1.26 -4.49 119.30 113.33 1x5f s MET 83 Ca 0.30 -0.22 -0.14 0.00 -1.25 0.00 0.00 55.69 54.38 1x5f s MET 83 Cb 0.05 -3.18 0.02 0.00 1.25 0.00 0.00 34.83 32.96 1x5f s MET 83 CO 0.12 0.60 1.10 -1.25 1.05 0.00 0.00 175.02 176.64 1x5f s PRO 84 N -0.52 2.65 -1.52 4.11 0.04 -0.93 -3.52 135.00 135.31 1x5f s PRO 84 Ca 0.11 1.33 -0.14 0.00 0.04 0.00 0.00 61.00 62.34 1x5f s PRO 84 Cb -0.12 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.59 1x5f s PRO 84 CO 0.02 -1.36 0.78 0.00 0.04 0.00 0.00 177.00 176.48 1x5f n ALA 85 N -2.73 -1.20 -3.74 8.56 0.00 -1.19 -4.85 120.51 115.36 1x5f n ALA 85 Ca 0.10 0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.43 1x5f n ALA 85 Cb 0.52 -3.71 -0.17 0.00 0.00 0.00 0.00 19.45 16.09 1x5f n ALA 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1x5f s THR 86 N -3.18 0.38 0.33 0.00 2.01 -1.23 -4.90 115.64 109.04 1x5f s THR 86 Ca 0.61 0.09 -0.29 0.00 0.31 0.00 0.00 61.69 62.41 1x5f s THR 86 Cb -0.32 -0.51 -0.10 0.00 0.01 0.00 0.00 72.50 71.58 1x5f s THR 86 CO 0.75 0.24 1.38 -0.69 -0.69 0.00 0.00 174.62 175.62 1x5f s VAL 87 N 1.75 2.53 -0.05 3.82 1.01 -1.26 -3.49 120.40 124.70 1x5f s VAL 87 Ca 0.02 0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.49 1x5f s VAL 87 Cb -0.13 -3.33 0.04 0.00 0.00 0.00 0.00 36.38 32.96 1x5f s VAL 87 CO -0.04 0.12 0.10 -0.31 0.00 0.00 0.00 175.10 174.96 1x5f s TYR 88 N -0.92 -0.06 -0.46 5.22 2.02 0.94 -3.22 117.35 120.86 1x5f s TYR 88 Ca 0.52 0.37 -0.25 0.00 -0.37 0.00 0.00 57.07 57.34 1x5f s TYR 88 Cb -0.42 -0.27 0.03 0.00 -0.40 0.00 0.00 41.96 40.90 1x5f s TYR 88 CO 0.54 -0.18 0.90 0.42 -1.57 0.00 0.00 175.55 175.66 1x5f s ILE 89 N 1.69 4.50 -0.01 2.71 -1.09 0.58 -2.27 121.20 127.31 1x5f s ILE 89 Ca -0.02 0.69 -0.13 0.00 -2.23 0.00 0.00 60.65 58.96 1x5f s ILE 89 Cb -0.12 -4.41 -0.05 0.00 -1.58 0.00 0.00 42.46 36.29 1x5f s ILE 89 CO -0.04 -0.81 0.36 -0.36 -1.23 0.00 0.00 174.94 172.85 1x5f s PHE 90 N 3.67 3.69 -0.08 3.97 0.40 -0.03 -2.18 117.98 127.42 1x5f s PHE 90 Ca 0.36 0.89 -0.01 0.00 -0.60 0.00 0.00 56.93 57.56 1x5f s PHE 90 Cb -0.10 -2.21 0.03 0.00 0.51 0.00 0.00 43.02 41.24 1x5f s PHE 90 CO 0.26 0.65 -0.01 1.03 0.70 0.00 0.00 175.22 177.85 1x5f s ARG 91 N -1.17 0.71 -0.02 0.44 0.52 0.14 -0.59 118.95 119.00 1x5f s ARG 91 Ca 0.23 0.05 -0.08 0.00 -0.52 0.00 0.00 55.73 55.41 1x5f s ARG 91 Cb -0.16 -1.09 -0.05 0.00 0.52 0.00 0.00 34.95 34.18 1x5f s ARG 91 CO 0.12 -0.31 0.26 0.08 0.02 0.00 0.00 175.30 175.47 1x5f s VAL 92 N 1.94 5.31 -0.09 3.52 1.01 -1.26 -0.15 120.40 130.68 1x5f s VAL 92 Ca 0.05 0.25 -0.14 0.00 0.00 0.00 0.00 61.98 62.13 1x5f s VAL 92 Cb -0.12 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.74 1x5f s VAL 92 CO -0.06 0.44 0.37 -0.32 0.00 0.00 0.00 175.10 175.53 1x5f s MET 93 N -1.54 0.54 0.32 2.72 0.00 -0.18 0.46 119.30 121.62 1x5f s MET 93 Ca 0.25 0.27 -0.04 0.00 0.00 0.00 0.00 55.69 56.17 1x5f s MET 93 Cb -0.13 0.25 -0.05 0.00 0.00 0.00 0.00 34.83 34.90 1x5f s MET 93 CO 0.13 -0.11 0.57 0.00 0.00 0.00 0.00 175.02 175.62 1x5f s ALA 94 N -0.38 3.62 -0.09 4.11 0.00 -1.26 0.04 121.76 127.80 1x5f s ALA 94 Ca -0.05 -0.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 1x5f s ALA 94 Cb -0.03 -2.28 0.04 0.00 0.00 0.00 0.00 23.12 20.85 1x5f s ALA 94 CO 0.02 0.14 0.21 -0.65 0.00 0.00 0.00 175.76 175.48 1x5f s GLN 95 N -3.81 0.16 0.22 0.00 -0.21 0.18 -2.87 119.66 113.34 1x5f s GLN 95 Ca 0.43 0.46 0.01 0.00 0.02 0.00 0.00 55.36 56.29 1x5f s GLN 95 Cb -0.10 -0.14 -0.00 0.00 1.00 0.00 0.00 33.01 33.76 1x5f s GLN 95 CO 0.32 -0.16 0.04 0.27 -2.12 0.00 0.00 175.29 173.65 1x5f n ASN 96 N 4.19 1.74 -0.13 5.90 0.23 -1.03 0.66 115.26 126.82 1x5f n ASN 96 Ca -0.26 -2.08 0.26 0.00 -0.53 0.00 0.00 54.58 51.97 1x5f n ASN 96 Cb 0.53 0.37 0.52 0.00 -2.08 0.00 0.00 39.78 39.12 1x5f n ASN 96 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1x5f h LYS 97 N 0.00 0.00 0.00 -3.83 2.10 -2.02 -1.56 116.57 111.27 1x5f h LYS 97 Ca -0.18 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1x5f h LYS 97 Cb 0.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 1x5f h LYS 97 CO 0.29 0.00 -0.00 0.45 -2.00 0.00 0.00 179.45 178.19 1x5f h HIS 98 N 0.00 -0.00 0.00 0.07 3.86 -1.93 -3.51 115.15 113.63 1x5f h HIS 98 Ca 0.41 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 1x5f h HIS 98 Cb 2.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.92 1x5f h HIS 98 CO 0.00 -0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1x5f n GLY 99 N 1.29 -0.60 3.51 2.45 0.00 -0.59 -5.10 105.19 106.16 1x5f n GLY 99 Ca -0.00 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1x5f n GLY 99 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5f s SER 100 N -4.00 6.09 0.00 1.61 1.04 -1.26 -2.46 113.70 114.72 1x5f s SER 100 Ca 0.00 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1x5f s SER 100 Cb 0.00 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 63.97 1x5f s SER 100 CO 0.00 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1x5f n GLY 101 N 5.10 -0.06 3.88 7.32 0.00 -1.14 -4.97 105.19 115.31 1x5f n GLY 101 Ca -0.12 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 1x5f n GLY 101 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x5f s GLU 102 N 0.00 3.41 -0.25 1.61 2.56 -1.21 -4.98 118.70 119.83 1x5f s GLU 102 Ca 0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 54.97 54.54 1x5f s GLU 102 Cb 0.00 -3.13 -0.01 0.00 2.00 0.00 0.00 34.13 32.99 1x5f s GLU 102 CO 0.00 0.74 0.69 -1.54 -0.56 0.00 0.00 175.26 174.58 1x5f s SER 103 N -1.36 6.65 1.11 -1.70 1.04 -1.26 -2.67 113.70 115.51 1x5f s SER 103 Ca 0.19 0.79 -0.19 0.00 0.48 0.00 0.00 55.95 57.23 1x5f s SER 103 Cb -0.12 -2.36 0.10 0.00 0.10 0.00 0.00 66.02 63.74 1x5f s SER 103 CO 0.09 -0.41 -0.04 -1.54 0.98 0.00 0.00 173.24 172.32 1x5f n SER 104 N 5.80 -2.50 -4.76 7.02 3.41 0.17 -4.90 113.62 117.86 1x5f n SER 104 Ca 0.01 -0.17 -0.37 0.00 -0.26 0.00 0.00 58.87 58.08 1x5f n SER 104 Cb 0.49 -0.91 0.01 0.00 -0.26 0.00 0.00 64.21 63.54 1x5f n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x5f s ALA 105 N -2.20 2.89 -0.27 7.33 0.00 -1.26 -4.61 121.76 123.64 1x5f s ALA 105 Ca 0.53 1.04 -0.29 0.00 0.00 0.00 0.00 51.96 53.25 1x5f s ALA 105 Cb -0.10 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 1x5f s ALA 105 CO 0.62 -0.89 1.64 -1.25 0.00 0.00 0.00 175.76 175.89 1x5f s PRO 106 N -2.82 3.64 -0.07 0.00 0.04 -1.26 -4.64 135.00 129.89 1x5f s PRO 106 Ca 0.67 1.52 -0.19 0.00 0.04 0.00 0.00 61.00 63.04 1x5f s PRO 106 Cb -0.32 -4.08 -0.05 0.00 0.04 0.00 0.00 34.50 30.10 1x5f s PRO 106 CO 0.38 -1.48 0.53 -1.17 0.04 0.00 0.00 177.00 175.29 1x5f s LEU 107 N 5.70 4.34 -0.32 -3.56 2.96 0.25 -4.89 118.68 123.15 1x5f s LEU 107 Ca 0.73 0.96 -0.17 0.00 -0.22 0.00 0.00 54.13 55.43 1x5f s LEU 107 Cb -0.23 -2.79 -0.01 0.00 0.50 0.00 0.00 46.19 43.66 1x5f s LEU 107 CO 0.31 0.05 0.48 -0.60 -1.32 0.00 0.00 176.35 175.27 1x5f s ARG 108 N 0.26 3.76 -0.00 1.98 3.52 -1.26 -0.85 118.95 126.35 1x5f s ARG 108 Ca 0.28 -0.06 0.06 0.00 -0.13 0.00 0.00 55.73 55.88 1x5f s ARG 108 Cb -0.16 -3.76 -0.02 0.00 -1.56 0.00 0.00 34.95 29.45 1x5f s ARG 108 CO 0.13 -0.52 -0.18 0.08 -0.81 0.00 0.00 175.30 174.00 1x5f s VAL 109 N 2.30 1.42 -0.18 7.11 1.01 -0.96 -4.99 120.40 126.11 1x5f s VAL 109 Ca 0.18 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1x5f s VAL 109 Cb -0.16 -1.20 0.03 0.00 0.00 0.00 0.00 36.38 35.06 1x5f s VAL 109 CO 0.12 0.34 -0.12 -0.70 0.00 0.00 0.00 175.10 174.74 1x5f s GLU 110 N -0.59 2.11 1.43 2.72 2.12 -1.26 -0.04 118.70 125.19 1x5f s GLU 110 Ca 0.07 -0.72 -0.24 0.00 0.36 0.00 0.00 54.97 54.43 1x5f s GLU 110 Cb -0.07 -2.28 0.37 0.00 0.26 0.00 0.00 34.13 32.41 1x5f s GLU 110 CO -0.00 -0.36 0.88 0.25 -0.54 0.00 0.00 175.26 175.49 1x5f n THR 111 N 4.72 0.00 -4.40 -1.70 -2.24 -1.23 -4.91 114.28 104.53 1x5f n THR 111 Ca -0.15 -0.04 -0.34 0.00 -2.27 0.00 0.00 64.05 61.24 1x5f n THR 111 Cb 0.48 -1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 67.62 1x5f n THR 111 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1x5f s GLN 112 N -5.09 2.90 -0.42 -0.78 -0.21 -1.26 -3.69 119.66 111.11 1x5f s GLN 112 Ca 0.66 -0.48 -0.28 0.00 0.02 0.00 0.00 55.36 55.29 1x5f s GLN 112 Cb -0.11 -2.73 -0.01 0.00 1.00 0.00 0.00 33.01 31.16 1x5f s GLN 112 CO 0.55 0.68 1.74 -1.25 -2.12 0.00 0.00 175.29 174.89 1x5f s PRO 113 N -1.02 3.21 -0.47 2.91 0.04 -1.26 -3.17 135.00 135.24 1x5f s PRO 113 Ca 0.14 1.12 -0.04 0.00 0.04 0.00 0.00 61.00 62.27 1x5f s PRO 113 Cb -0.11 -4.21 0.07 0.00 0.04 0.00 0.00 34.50 30.29 1x5f s PRO 113 CO 0.04 -2.02 2.74 -0.85 0.04 0.00 0.00 177.00 176.95 1x5f n GLU 114 N 8.55 2.41 -3.66 4.56 0.28 -1.26 -4.82 120.64 126.71 1x5f n GLU 114 Ca 0.21 -2.39 -0.24 0.00 -0.16 0.00 0.00 57.16 54.58 1x5f n GLU 114 Cb 0.48 -2.14 -0.17 0.00 1.43 0.00 0.00 31.44 31.04 1x5f n GLU 114 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1x5f s SER 115 N 0.29 2.05 0.30 -1.84 1.04 -1.26 -5.15 113.70 109.14 1x5f s SER 115 Ca 0.58 -0.42 0.08 0.00 0.48 0.00 0.00 55.95 56.67 1x5f s SER 115 Cb 0.39 -0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 1x5f s SER 115 CO -0.23 -0.31 0.19 -0.83 0.98 0.00 0.00 173.24 173.05 1x5f s GLY 116 N 2.10 1.68 0.10 7.32 0.00 -1.26 -5.05 107.32 112.21 1x5f s GLY 116 Ca 0.03 -1.62 -0.15 0.00 0.00 0.00 0.00 44.72 42.98 1x5f s GLY 116 CO -0.07 -1.60 1.42 -0.56 0.00 0.00 0.00 173.10 172.29 1x5f h PRO 117 N 1.47 0.69 -5.85 2.90 0.13 -2.01 -3.44 132.00 125.90 1x5f h PRO 117 Ca -0.46 -0.37 -0.68 0.00 -0.87 0.00 0.00 66.00 63.62 1x5f h PRO 117 Cb 1.25 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 32.09 1x5f h PRO 117 CO 0.60 0.98 -0.86 -1.54 -0.23 0.00 0.00 178.00 176.95 1x5f s SER 118 N -6.53 3.27 0.61 1.44 1.04 -1.26 -5.11 113.70 107.15 1x5f s SER 118 Ca -0.12 -0.47 -0.19 0.00 0.48 0.00 0.00 55.95 55.65 1x5f s SER 118 Cb 0.09 -1.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.15 1x5f s SER 118 CO 0.83 0.23 1.24 -0.55 0.98 0.00 0.00 173.24 175.97 1x5f s SER 119 N -0.07 5.00 0.00 7.02 0.15 -1.26 -5.20 113.70 119.34 1x5f s SER 119 Ca -0.06 2.47 0.00 0.00 0.70 0.00 0.00 55.95 59.06 1x5f s SER 119 Cb -0.14 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1x5f s SER 119 CO 0.04 -1.72 0.00 0.61 1.20 0.00 0.00 173.24 173.37