#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5i n ALA 2 N 0.00 0.00 -1.79 0.00 0.00 -1.26 -4.95 120.51 112.51 1j5i n ALA 2 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1j5i n ALA 2 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1j5i n ALA 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j5i s PRO 3 N -1.96 4.04 0.02 0.00 0.04 -1.26 -4.63 135.00 131.25 1j5i s PRO 3 Ca 0.00 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1j5i s PRO 3 Cb 0.00 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1j5i s PRO 3 CO 0.00 -0.24 0.00 0.25 0.04 0.00 0.00 177.00 177.05 1j5i n THR 4 N -0.37 0.00 -1.55 1.26 -2.24 -0.98 -4.40 114.28 106.00 1j5i n THR 4 Ca 0.06 0.00 -0.52 0.00 -2.27 0.00 0.00 64.05 61.32 1j5i n THR 4 Cb 0.51 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 1j5i n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j5i n ALA 5 N 2.02 -1.66 -2.17 6.98 0.00 -1.26 -2.63 120.51 121.78 1j5i n ALA 5 Ca 0.00 0.51 -0.11 0.00 0.00 0.00 0.00 53.44 53.84 1j5i n ALA 5 Cb 0.00 -1.94 -0.10 0.00 0.00 0.00 0.00 19.45 17.41 1j5i n ALA 5 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1j5i s THR 6 N -0.03 0.13 -0.17 0.00 -4.23 0.32 -4.19 115.64 107.48 1j5i s THR 6 Ca 0.80 -1.94 0.01 0.00 -1.18 0.00 0.00 61.69 59.38 1j5i s THR 6 Cb -0.98 -2.18 0.02 0.00 1.34 0.00 0.00 72.50 70.70 1j5i s THR 6 CO 0.52 -0.34 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.37 1j5i s VAL 7 N -4.04 2.05 0.02 2.29 1.01 -1.26 -2.03 120.40 118.44 1j5i s VAL 7 Ca 0.28 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 1j5i s VAL 7 Cb 0.07 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1j5i s VAL 7 CO 0.05 0.54 0.72 0.41 0.00 0.00 0.00 175.10 176.82 1j5i n THR 8 N 4.45 -0.10 -0.15 3.92 -1.04 -0.95 -4.45 114.28 115.96 1j5i n THR 8 Ca -0.21 1.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.90 1j5i n THR 8 Cb 0.50 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.59 1j5i n THR 8 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1j5i n PRO 9 N -3.14 0.70 0.00 -2.82 -0.04 -1.26 -5.06 135.00 123.38 1j5i n PRO 9 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1j5i n PRO 9 Cb 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.50 1j5i n PRO 9 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1j5i n SER 10 N -0.60 0.07 -3.86 3.54 7.64 -1.26 -4.94 113.62 114.21 1j5i n SER 10 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 1j5i n SER 10 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 1j5i n SER 10 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1j5i n SER 11 N -1.84 1.78 -0.27 6.43 7.64 -1.25 -1.85 113.62 124.26 1j5i n SER 11 Ca 0.00 -2.58 0.28 0.00 1.01 0.00 0.00 58.87 57.59 1j5i n SER 11 Cb 0.01 -1.06 0.66 0.00 -1.01 0.00 0.00 64.21 62.82 1j5i n SER 11 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1j5i h GLY 12 N 17.51 0.39 -6.10 0.23 0.00 0.69 -3.06 103.07 112.73 1j5i h GLY 12 Ca 0.26 -0.07 -0.68 0.00 0.00 0.00 0.00 47.33 46.84 1j5i h GLY 12 CO 1.74 -0.04 2.87 1.47 0.00 0.00 0.00 176.54 182.58 1j5i n LEU 13 N -4.35 5.93 -3.55 3.11 -0.00 -0.64 -4.48 117.00 113.02 1j5i n LEU 13 Ca 0.23 -3.68 -0.27 0.00 -0.00 0.00 0.00 56.01 52.29 1j5i n LEU 13 Cb 1.01 -1.45 -0.10 0.00 -0.00 0.00 0.00 43.42 42.88 1j5i n LEU 13 CO 0.35 0.63 -0.20 -0.24 -0.00 0.00 0.00 177.39 177.93 1j5i n SER 14 N 6.41 0.93 -2.60 1.45 2.88 -1.16 -4.96 113.62 116.57 1j5i n SER 14 Ca 0.52 -2.73 0.00 0.00 -1.33 0.00 0.00 58.87 55.34 1j5i n SER 14 Cb 0.38 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 1j5i n SER 14 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1j5i n ASP 15 N 2.35 0.00 -3.35 -3.46 5.75 -1.26 0.20 116.55 116.77 1j5i n ASP 15 Ca 0.26 0.00 -0.10 0.00 -0.01 0.00 0.00 54.79 54.94 1j5i n ASP 15 Cb 0.44 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j5i n GLY 16 N -0.61 -1.26 3.75 6.12 0.00 -1.21 -4.90 105.19 107.08 1j5i n GLY 16 Ca 0.00 0.52 -0.41 0.00 0.00 0.00 0.00 46.02 46.13 1j5i n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j5i s THR 17 N -3.02 3.36 -0.26 2.61 -1.32 0.53 -4.48 115.64 113.05 1j5i s THR 17 Ca 0.03 1.22 -0.09 0.00 -1.21 0.00 0.00 61.69 61.63 1j5i s THR 17 Cb -0.01 -3.78 -0.03 0.00 -1.51 0.00 0.00 72.50 67.17 1j5i s THR 17 CO 0.81 0.23 0.12 -0.69 -2.21 0.00 0.00 174.62 172.87 1j5i s VAL 18 N -0.43 4.66 0.00 5.08 1.01 -1.26 0.21 120.40 129.67 1j5i s VAL 18 Ca 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1j5i s VAL 18 Cb -0.34 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1j5i s VAL 18 CO 0.40 0.29 0.00 1.33 0.00 0.00 0.00 175.10 177.12 1j5i n VAL 19 N 4.97 0.00 -4.12 2.92 0.24 -0.57 -4.99 118.33 116.78 1j5i n VAL 19 Ca -0.15 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.80 1j5i n VAL 19 Cb 0.51 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.81 1j5i n VAL 19 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1j5i s LYS 20 N -0.97 3.18 -0.73 7.34 1.02 -1.26 -1.63 119.74 126.68 1j5i s LYS 20 Ca 0.00 -0.33 -0.01 0.00 0.02 0.00 0.00 55.97 55.65 1j5i s LYS 20 Cb 0.00 -2.96 0.18 0.00 -0.52 0.00 0.00 37.83 34.54 1j5i s LYS 20 CO 0.00 0.71 0.56 0.08 -0.92 0.00 0.00 175.35 175.79 1j5i s VAL 21 N -1.03 3.79 -0.10 3.17 1.01 0.31 -2.25 120.40 125.30 1j5i s VAL 21 Ca 0.17 -3.50 -0.21 0.00 0.00 0.00 0.00 61.98 58.44 1j5i s VAL 21 Cb -0.12 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1j5i s VAL 21 CO 0.07 -0.97 0.58 0.00 0.00 0.00 0.00 175.10 174.78 1j5i s ALA 22 N -0.75 3.41 -0.16 5.51 0.00 -0.86 -1.36 121.76 127.55 1j5i s ALA 22 Ca 0.22 -0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.15 1j5i s ALA 22 Cb -0.14 -2.79 0.02 0.00 0.00 0.00 0.00 23.12 20.21 1j5i s ALA 22 CO -0.08 -0.05 -0.19 0.20 0.00 0.00 0.00 175.76 175.63 1j5i s GLY 23 N 0.71 1.30 -0.52 0.00 0.00 0.11 0.12 107.32 109.04 1j5i s GLY 23 Ca 0.31 -1.08 -0.16 0.00 0.00 0.00 0.00 44.72 43.79 1j5i s GLY 23 CO 0.14 0.22 0.48 0.00 0.00 0.00 0.00 173.10 173.95 1j5i s ALA 24 N 1.15 3.61 0.00 3.20 0.00 -1.08 -1.63 121.76 127.01 1j5i s ALA 24 Ca 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 51.96 49.56 1j5i s ALA 24 Cb -0.14 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1j5i s ALA 24 CO -0.08 -1.96 0.00 0.41 0.00 0.00 0.00 175.76 174.13 1j5i n GLY 25 N 5.24 1.13 0.00 0.00 0.00 0.11 -2.31 105.19 109.36 1j5i n GLY 25 Ca -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1j5i n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j5i n LEU 26 N -0.07 0.00 -1.63 0.99 7.94 -0.38 -4.53 117.00 119.33 1j5i n LEU 26 Ca 0.00 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.85 1j5i n LEU 26 Cb 0.09 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.04 1j5i n LEU 26 CO 0.00 0.00 1.09 1.67 -1.11 0.00 0.00 177.39 179.04 1j5i n GLN 27 N 0.00 1.25 -0.03 1.96 -0.06 -1.26 -4.63 117.38 114.61 1j5i n GLN 27 Ca 0.00 -0.44 0.00 0.00 -2.00 0.00 0.00 57.00 54.56 1j5i n GLN 27 Cb 0.00 -1.20 0.00 0.00 -4.06 0.00 0.00 30.24 24.98 1j5i n GLN 27 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1j5i n ALA 28 N 1.26 0.00 0.00 1.69 0.00 -1.26 -1.80 120.51 120.40 1j5i n ALA 28 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1j5i n ALA 28 Cb 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1j5i n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5i n GLY 29 N -2.00 1.35 0.00 0.00 0.00 -1.25 -3.60 105.19 99.69 1j5i n GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1j5i n GLY 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j5i n THR 30 N 0.00 0.00 -4.01 2.61 -1.04 -0.75 -3.13 114.28 107.96 1j5i n THR 30 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 1j5i n THR 30 Cb 0.00 -0.01 -0.15 0.00 -1.82 0.00 0.00 70.33 68.35 1j5i n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j5i s ALA 31 N -2.04 0.28 0.32 2.41 0.00 -1.26 -1.73 121.76 119.74 1j5i s ALA 31 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.88 1j5i s ALA 31 Cb 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1j5i s ALA 31 CO 0.00 0.03 0.48 0.66 0.00 0.00 0.00 175.76 176.92 1j5i n TYR 32 N 3.34 -1.49 -3.54 0.00 4.01 0.49 -4.85 117.16 115.12 1j5i n TYR 32 Ca -0.17 -2.00 -0.41 0.00 -0.16 0.00 0.00 57.90 55.16 1j5i n TYR 32 Cb 0.56 0.55 -0.11 0.00 -0.31 0.00 0.00 39.34 40.03 1j5i n TYR 32 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1j5i s ASP 33 N -2.90 5.91 0.33 7.72 2.15 -1.09 -0.05 116.67 128.74 1j5i s ASP 33 Ca 0.24 -0.84 -0.27 0.00 0.43 0.00 0.00 52.55 52.10 1j5i s ASP 33 Cb -0.01 -2.09 -0.09 0.00 -0.30 0.00 0.00 42.92 40.42 1j5i s ASP 33 CO 0.17 -0.38 1.04 -0.69 -0.17 0.00 0.00 175.17 175.14 1j5i s VAL 34 N 1.63 3.75 0.00 1.11 1.01 0.19 -0.90 120.40 127.18 1j5i s VAL 34 Ca 0.04 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.56 1j5i s VAL 34 Cb -0.19 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1j5i s VAL 34 CO 0.08 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1j5i n GLY 35 N 0.78 1.94 3.41 4.51 0.00 0.17 -0.67 105.19 115.33 1j5i n GLY 35 Ca 0.02 -0.80 -0.44 0.00 0.00 0.00 0.00 46.02 44.79 1j5i n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j5i s GLN 36 N -2.00 3.08 0.16 1.61 -0.21 -1.26 -0.74 119.66 120.30 1j5i s GLN 36 Ca 0.00 -1.10 0.06 0.00 0.02 0.00 0.00 55.36 54.33 1j5i s GLN 36 Cb 0.00 -4.16 -0.04 0.00 1.00 0.00 0.00 33.01 29.81 1j5i s GLN 36 CO 0.00 -1.32 0.09 0.00 -2.12 0.00 0.00 175.29 171.94 1j5i n ALA 38 N -0.21 0.00 -1.55 0.00 0.00 0.12 -1.48 120.51 117.38 1j5i n ALA 38 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.03 1j5i n ALA 38 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 1j5i n ALA 38 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1j5i n TRP 39 N -0.19 1.34 -0.03 0.00 4.27 -1.26 -0.01 117.44 121.56 1j5i n TRP 39 Ca 0.00 0.10 -0.18 0.00 -3.89 0.00 0.00 57.50 53.53 1j5i n TRP 39 Cb 0.00 -2.61 -0.13 0.00 -1.36 0.00 0.00 31.31 27.21 1j5i n TRP 39 CO 0.00 0.00 0.00 -0.24 -2.29 0.00 0.00 177.69 175.16 1j5i h VAL 40 N 7.71 1.45 -0.58 -1.67 3.04 -1.41 -3.42 116.25 121.36 1j5i h VAL 40 Ca -0.19 -2.37 0.00 0.00 -1.01 0.00 0.00 66.70 63.13 1j5i h VAL 40 Cb 1.22 3.03 0.00 0.00 -2.01 0.00 0.00 31.29 33.53 1j5i h VAL 40 CO 1.14 0.60 0.00 -0.67 -1.01 0.00 0.00 177.57 177.63 1j5i n ASP 41 N -4.34 0.00 -4.56 3.17 -0.08 -1.22 -4.81 116.55 104.71 1j5i n ASP 41 Ca -0.17 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.73 1j5i n ASP 41 Cb 0.67 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.10 1j5i n ASP 41 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1j5i s THR 42 N 1.64 3.82 -1.88 5.18 2.01 -1.26 -3.73 115.64 121.41 1j5i s THR 42 Ca 0.00 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1j5i s THR 42 Cb 0.00 -4.82 0.00 0.00 0.01 0.00 0.00 72.50 67.69 1j5i s THR 42 CO 0.00 -1.69 0.00 0.61 -0.69 0.00 0.00 174.62 172.85 1j5i n GLY 43 N 6.72 0.89 3.27 4.40 0.00 -1.26 -4.94 105.19 114.27 1j5i n GLY 43 Ca 0.36 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 1j5i n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j5i s VAL 44 N -2.82 4.66 -0.84 1.61 1.01 -1.24 -4.97 120.40 117.80 1j5i s VAL 44 Ca 0.00 -1.58 -0.23 0.00 0.00 0.00 0.00 61.98 60.17 1j5i s VAL 44 Cb 0.00 -3.99 -0.18 0.00 0.00 0.00 0.00 36.38 32.21 1j5i s VAL 44 CO 0.00 -0.76 2.28 0.18 0.00 0.00 0.00 175.10 176.80 1j5i n LEU 45 N 5.06 1.18 -4.93 3.92 4.77 -1.26 -1.34 117.00 124.39 1j5i n LEU 45 Ca -0.11 -1.55 -0.28 0.00 -0.03 0.00 0.00 56.01 54.04 1j5i n LEU 45 Cb 0.41 -1.50 -0.03 0.00 -2.33 0.00 0.00 43.42 39.96 1j5i n LEU 45 CO 0.47 -2.65 -0.12 0.00 -1.33 0.00 0.00 177.39 173.76 1j5i s ALA 46 N 13.01 3.98 0.13 -1.18 0.00 0.98 -3.51 121.76 135.18 1j5i s ALA 46 Ca 0.93 -0.97 0.08 0.00 0.00 0.00 0.00 51.96 52.00 1j5i s ALA 46 Cb -0.20 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 1j5i s ALA 46 CO 0.16 0.65 -0.10 0.00 0.00 0.00 0.00 175.76 176.46 1j5i s ASN 48 N -2.40 3.66 0.06 0.00 0.02 -1.11 0.05 114.94 115.22 1j5i s ASN 48 Ca 0.22 0.92 0.23 0.00 -1.02 0.00 0.00 52.86 53.21 1j5i s ASN 48 Cb -0.10 -1.48 0.92 0.00 0.02 0.00 0.00 41.25 40.61 1j5i s ASN 48 CO 0.14 -2.45 1.71 -0.81 0.02 0.00 0.00 177.10 175.71 1j5i n PRO 49 N -3.69 0.06 -0.37 -0.60 -0.04 -1.21 -2.14 135.00 127.01 1j5i n PRO 49 Ca 0.07 0.18 0.08 0.00 -0.04 0.00 0.00 63.50 63.78 1j5i n PRO 49 Cb 0.60 -1.59 0.24 0.00 -0.04 0.00 0.00 33.50 32.70 1j5i n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j5i n ALA 50 N -1.58 2.65 1.01 0.55 0.00 -1.26 -4.32 120.51 117.56 1j5i n ALA 50 Ca 0.05 -1.62 0.07 0.00 0.00 0.00 0.00 53.44 51.94 1j5i n ALA 50 Cb 0.27 -0.67 0.22 0.00 0.00 0.00 0.00 19.45 19.28 1j5i n ALA 50 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1j5i n ASP 51 N 0.36 1.77 -4.20 0.00 -0.08 -0.91 -4.59 116.55 108.91 1j5i n ASP 51 Ca 0.18 -1.91 -0.41 0.00 -1.51 0.00 0.00 54.79 51.15 1j5i n ASP 51 Cb 0.69 -0.19 -0.08 0.00 2.34 0.00 0.00 41.12 43.88 1j5i n ASP 51 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1j5i s PHE 52 N -1.62 3.50 -0.42 -0.67 0.08 -1.20 -3.03 117.98 114.63 1j5i s PHE 52 Ca 0.26 -2.19 0.05 0.00 0.12 0.00 0.00 56.93 55.16 1j5i s PHE 52 Cb 0.14 -3.46 0.17 0.00 -0.57 0.00 0.00 43.02 39.29 1j5i s PHE 52 CO 0.19 -0.94 0.49 0.45 -0.10 0.00 0.00 175.22 175.30 1j5i s SER 53 N 1.90 0.23 0.35 1.36 0.15 0.16 -4.95 113.70 112.89 1j5i s SER 53 Ca 0.12 -1.81 -0.26 0.00 0.70 0.00 0.00 55.95 54.70 1j5i s SER 53 Cb -0.21 0.87 -0.13 0.00 -1.71 0.00 0.00 66.02 64.84 1j5i s SER 53 CO -0.03 -0.18 0.85 -0.24 1.20 0.00 0.00 173.24 174.83 1j5i n SER 54 N 3.68 0.50 -3.55 5.45 2.88 -1.26 -0.64 113.62 120.68 1j5i n SER 54 Ca 0.17 1.07 -0.05 0.00 -1.33 0.00 0.00 58.87 58.72 1j5i n SER 54 Cb 0.50 -1.23 -0.00 0.00 -0.75 0.00 0.00 64.21 62.73 1j5i n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1j5i s VAL 55 N -1.22 0.00 0.06 2.46 0.11 0.92 -4.77 120.40 117.98 1j5i s VAL 55 Ca 0.61 -0.77 -0.07 0.00 -2.93 0.00 0.00 61.98 58.83 1j5i s VAL 55 Cb -0.66 -2.34 -0.01 0.00 -1.53 0.00 0.00 36.38 31.84 1j5i s VAL 55 CO 0.58 0.00 0.13 -0.89 -3.33 0.00 0.00 175.10 171.60 1j5i s THR 56 N -2.99 0.15 0.07 5.04 2.01 -1.26 -0.38 115.64 118.28 1j5i s THR 56 Ca 0.15 -1.24 0.02 0.00 0.31 0.00 0.00 61.69 60.94 1j5i s THR 56 Cb -0.03 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 1j5i s THR 56 CO 0.05 -0.68 0.09 0.00 -0.69 0.00 0.00 174.62 173.39 1j5i s ALA 57 N -3.45 3.60 0.78 7.40 0.00 -0.71 -4.58 121.76 124.80 1j5i s ALA 57 Ca 0.02 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 1j5i s ALA 57 Cb 0.03 -1.48 0.06 0.00 0.00 0.00 0.00 23.12 21.74 1j5i s ALA 57 CO -0.09 0.75 1.10 -0.51 0.00 0.00 0.00 175.76 177.02 1j5i s ASP 58 N -2.34 4.33 0.42 0.00 1.01 0.12 -3.97 116.67 116.25 1j5i s ASP 58 Ca 0.29 1.91 0.28 0.00 0.71 0.00 0.00 52.55 55.74 1j5i s ASP 58 Cb -0.12 -2.53 1.43 0.00 1.01 0.00 0.00 42.92 42.70 1j5i s ASP 58 CO 0.22 -2.15 1.59 0.00 0.21 0.00 0.00 175.17 175.04 1j5i h ALA 59 N -1.08 2.59 -0.37 5.23 0.00 -1.86 2.81 119.26 126.59 1j5i h ALA 59 Ca -0.44 0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.40 1j5i h ALA 59 Cb 1.24 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 19.19 1j5i h ALA 59 CO 0.50 -1.30 0.31 -1.71 0.00 0.00 0.00 179.25 177.05 1j5i n ASN 60 N -4.90 5.75 -4.46 0.00 5.15 -1.26 -4.57 115.26 110.96 1j5i n ASN 60 Ca 0.39 -2.86 -0.41 0.00 -0.60 0.00 0.00 54.58 51.10 1j5i n ASN 60 Cb 1.44 -1.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.62 1j5i n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j5i n GLY 61 N 0.50 -0.38 3.25 8.20 0.00 0.94 -4.22 105.19 113.48 1j5i n GLY 61 Ca 0.23 0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 1j5i n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j5i s SER 62 N -3.37 5.97 -0.59 1.61 0.01 -0.99 0.05 113.70 116.40 1j5i s SER 62 Ca 0.74 -2.02 -0.11 0.00 1.31 0.00 0.00 55.95 55.87 1j5i s SER 62 Cb -0.43 -2.10 0.15 0.00 0.21 0.00 0.00 66.02 63.86 1j5i s SER 62 CO 1.01 -0.72 0.49 0.00 0.41 0.00 0.00 173.24 174.43 1j5i s ALA 63 N 1.22 3.63 -0.98 1.44 0.00 -0.65 0.15 121.76 126.57 1j5i s ALA 63 Ca 0.07 -2.80 -0.04 0.00 0.00 0.00 0.00 51.96 49.19 1j5i s ALA 63 Cb -0.25 -3.07 0.26 0.00 0.00 0.00 0.00 23.12 20.05 1j5i s ALA 63 CO -0.01 -2.04 1.00 -1.13 0.00 0.00 0.00 175.76 173.59 1j5i n SER 64 N 4.61 4.96 -4.52 0.00 3.41 -1.24 0.09 113.62 120.93 1j5i n SER 64 Ca -0.03 -3.17 -0.34 0.00 -0.26 0.00 0.00 58.87 55.08 1j5i n SER 64 Cb 0.42 -1.17 -0.12 0.00 -0.26 0.00 0.00 64.21 63.08 1j5i n SER 64 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1j5i s THR 65 N -1.66 4.01 -0.09 6.66 -1.32 -0.47 -4.80 115.64 117.97 1j5i s THR 65 Ca 0.30 -0.32 -0.18 0.00 -1.21 0.00 0.00 61.69 60.28 1j5i s THR 65 Cb -0.05 -2.76 -0.05 0.00 -1.51 0.00 0.00 72.50 68.14 1j5i s THR 65 CO -0.07 0.50 0.48 -0.94 -2.21 0.00 0.00 174.62 172.38 1j5i s SER 66 N 0.29 6.73 0.37 8.08 1.04 -1.26 0.11 113.70 129.06 1j5i s SER 66 Ca -0.02 0.87 -0.03 0.00 0.48 0.00 0.00 55.95 57.25 1j5i s SER 66 Cb -0.14 -2.29 0.01 0.00 0.10 0.00 0.00 66.02 63.70 1j5i s SER 66 CO 0.03 0.05 0.53 -0.22 0.98 0.00 0.00 173.24 174.61 1j5i s LEU 67 N 0.32 0.96 -0.15 2.42 0.20 -0.64 -4.93 118.68 116.85 1j5i s LEU 67 Ca 0.26 -1.51 -0.05 0.00 0.69 0.00 0.00 54.13 53.52 1j5i s LEU 67 Cb -0.16 1.65 -0.03 0.00 -0.43 0.00 0.00 46.19 47.22 1j5i s LEU 67 CO 0.11 -1.38 0.02 -0.89 -0.29 0.00 0.00 176.35 173.92 1j5i s THR 68 N -2.80 4.43 -1.06 3.68 2.01 -1.26 -1.52 115.64 119.13 1j5i s THR 68 Ca 0.29 -0.17 -0.16 0.00 0.31 0.00 0.00 61.69 61.96 1j5i s THR 68 Cb -0.01 -2.95 0.15 0.00 0.01 0.00 0.00 72.50 69.70 1j5i s THR 68 CO 0.21 0.50 1.26 0.54 -0.69 0.00 0.00 174.62 176.44 1j5i s VAL 69 N 0.08 4.90 -0.29 3.82 0.11 0.57 -4.85 120.40 124.75 1j5i s VAL 69 Ca 0.03 -2.10 -0.18 0.00 -2.93 0.00 0.00 61.98 56.80 1j5i s VAL 69 Cb -0.13 -4.83 -0.02 0.00 -1.53 0.00 0.00 36.38 29.87 1j5i s VAL 69 CO 0.02 -1.54 0.51 -0.13 -3.33 0.00 0.00 175.10 170.62 1j5i s ARG 70 N 2.07 3.92 -0.07 1.54 0.52 -1.26 -2.66 118.95 123.01 1j5i s ARG 70 Ca 0.37 0.16 0.05 0.00 -0.52 0.00 0.00 55.73 55.79 1j5i s ARG 70 Cb -0.04 -3.70 -0.24 0.00 0.52 0.00 0.00 34.95 31.48 1j5i s ARG 70 CO -0.05 -0.45 0.56 -2.13 0.02 0.00 0.00 175.30 173.25 1j5i n ARG 71 N 5.61 0.68 -3.35 3.54 0.63 -1.26 -4.78 116.66 117.73 1j5i n ARG 71 Ca -0.04 0.29 -0.41 0.00 -0.92 0.00 0.00 57.85 56.76 1j5i n ARG 71 Cb 0.49 -1.77 -0.09 0.00 0.45 0.00 0.00 32.46 31.55 1j5i n ARG 71 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1j5i s SER 72 N -6.47 6.22 -0.14 6.15 1.04 -1.24 -0.54 113.70 118.73 1j5i s SER 72 Ca -0.11 -0.19 -0.34 0.00 0.48 0.00 0.00 55.95 55.79 1j5i s SER 72 Cb 0.07 -2.22 0.14 0.00 0.10 0.00 0.00 66.02 64.12 1j5i s SER 72 CO 0.81 -0.39 1.35 0.12 0.98 0.00 0.00 173.24 176.10 1j5i s PHE 73 N 2.14 -0.04 -0.47 5.02 2.19 -0.57 -4.90 117.98 121.35 1j5i s PHE 73 Ca 0.14 -0.00 -0.28 0.00 0.33 0.00 0.00 56.93 57.11 1j5i s PHE 73 Cb -0.16 0.52 0.03 0.00 -1.31 0.00 0.00 43.02 42.09 1j5i s PHE 73 CO 0.12 -0.12 1.09 -2.00 1.83 0.00 0.00 175.22 176.15 1j5i s GLU 74 N -2.20 3.69 0.65 10.12 2.56 -1.25 -0.85 118.70 131.43 1j5i s GLU 74 Ca 0.13 0.49 -0.11 0.00 0.00 0.00 0.00 54.97 55.49 1j5i s GLU 74 Cb 0.03 -3.91 -0.02 0.00 2.00 0.00 0.00 34.13 32.24 1j5i s GLU 74 CO -0.05 -1.33 1.05 0.20 -0.56 0.00 0.00 175.26 174.57 1j5i s GLY 75 N 2.39 1.64 -0.04 -1.50 0.00 0.19 -3.33 107.32 106.68 1j5i s GLY 75 Ca 0.46 -0.20 0.03 0.00 0.00 0.00 0.00 44.72 45.00 1j5i s GLY 75 CO 0.30 0.10 -0.11 -1.36 0.00 0.00 0.00 173.10 172.04 1j5i s PHE 76 N -3.24 1.21 0.27 1.90 0.40 0.11 -1.03 117.98 117.60 1j5i s PHE 76 Ca 0.56 -0.36 -0.29 0.00 -0.60 0.00 0.00 56.93 56.23 1j5i s PHE 76 Cb -0.11 -0.87 -0.09 0.00 0.51 0.00 0.00 43.02 42.45 1j5i s PHE 76 CO 0.53 -0.17 1.20 -0.51 0.70 0.00 0.00 175.22 176.97 1j5i s LEU 77 N 0.39 4.48 0.58 -0.37 2.01 0.75 -1.02 118.68 125.51 1j5i s LEU 77 Ca -0.08 2.41 0.28 0.00 0.01 0.00 0.00 54.13 56.76 1j5i s LEU 77 Cb -0.12 -3.63 1.76 0.00 0.01 0.00 0.00 46.19 44.21 1j5i s LEU 77 CO 0.02 -0.34 2.23 2.19 1.01 0.00 0.00 176.35 181.46 1j5i h PHE 78 N 4.04 0.00 -0.11 0.29 -0.00 -1.82 -2.35 116.94 116.99 1j5i h PHE 78 Ca -0.47 0.00 0.04 0.00 -0.00 0.00 0.00 57.97 57.55 1j5i h PHE 78 Cb 1.22 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 37.11 1j5i h PHE 78 CO 0.59 0.00 -0.25 0.22 -0.00 0.00 0.00 178.31 178.87 1j5i h ASP 79 N 0.00 -0.77 0.00 -0.68 -0.00 -1.90 -3.46 116.42 109.61 1j5i h ASP 79 Ca 0.01 0.12 0.00 0.00 -0.00 0.00 0.00 57.03 57.16 1j5i h ASP 79 Cb 0.05 0.34 0.00 0.00 -0.00 0.00 0.00 39.33 39.71 1j5i h ASP 79 CO -0.00 -0.30 0.00 0.61 -0.00 0.00 0.00 179.24 179.55 1j5i n GLY 80 N -1.37 0.35 3.91 -0.78 0.00 -0.88 -5.15 105.19 101.27 1j5i n GLY 80 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1j5i n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j5i s THR 81 N 0.00 3.12 -0.05 2.61 2.01 -1.25 -4.88 115.64 117.20 1j5i s THR 81 Ca 0.00 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.04 1j5i s THR 81 Cb 0.00 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 1j5i s THR 81 CO 0.00 -0.34 -0.06 0.00 -0.69 0.00 0.00 174.62 173.54 1j5i s ARG 82 N -5.18 2.72 0.00 4.92 1.70 -1.26 -0.18 118.95 121.67 1j5i s ARG 82 Ca 0.57 -0.58 0.00 0.00 -0.47 0.00 0.00 55.73 55.25 1j5i s ARG 82 Cb -0.11 -2.59 0.00 0.00 -0.57 0.00 0.00 34.95 31.68 1j5i s ARG 82 CO 0.47 0.65 0.00 1.87 -1.08 0.00 0.00 175.30 177.21 1j5i n TRP 83 N 1.97 0.00 0.00 5.89 -0.00 -0.20 -4.82 117.44 120.28 1j5i n TRP 83 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.33 1j5i n TRP 83 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.84 1j5i n TRP 83 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1j5i n GLY 84 N 3.34 0.39 5.00 5.87 0.00 -0.61 -4.76 105.19 114.42 1j5i n GLY 84 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1j5i n GLY 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j5i n THR 85 N 0.00 0.00 0.00 2.61 -1.04 -1.26 0.58 114.28 115.16 1j5i n THR 85 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1j5i n THR 85 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1j5i n THR 85 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1j5i n VAL 86 N 0.00 0.00 -1.56 12.58 0.31 -0.03 -4.63 118.33 125.00 1j5i n VAL 86 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 1j5i n VAL 86 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 1j5i n VAL 86 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1j5i n ASP 87 N 8.87 1.73 -3.22 4.52 -0.08 -1.26 -1.51 116.55 125.59 1j5i n ASP 87 Ca 0.00 -1.35 -0.30 0.00 -1.51 0.00 0.00 54.79 51.63 1j5i n ASP 87 Cb 0.00 -1.61 -0.03 0.00 2.34 0.00 0.00 41.12 41.82 1j5i n ASP 87 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j5i n THR 89 N 3.87 0.00 -0.08 0.00 -2.24 -1.26 -4.56 114.28 110.01 1j5i n THR 89 Ca 0.61 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.98 1j5i n THR 89 Cb 0.19 0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 68.80 1j5i n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j5i h THR 90 N 0.00 0.49 -3.21 4.28 1.03 -1.99 -3.46 112.91 110.04 1j5i h THR 90 Ca 0.00 -1.59 -0.58 0.00 -0.01 0.00 0.00 66.41 64.23 1j5i h THR 90 Cb 0.68 1.15 -0.06 0.00 -1.07 0.00 0.00 68.15 68.85 1j5i h THR 90 CO 0.00 0.17 -0.12 0.00 -0.01 0.00 0.00 175.52 175.55 1j5i s ALA 91 N -2.53 3.56 -0.16 0.00 0.00 -1.26 -5.02 121.76 116.35 1j5i s ALA 91 Ca -0.20 -0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.34 1j5i s ALA 91 Cb 0.03 -2.58 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 1j5i s ALA 91 CO 0.39 0.24 1.42 0.00 0.00 0.00 0.00 175.76 177.81 1j5i s ALA 92 N -0.31 3.56 -0.23 0.00 0.00 -1.26 -4.85 121.76 118.67 1j5i s ALA 92 Ca 0.26 0.54 -0.19 0.00 0.00 0.00 0.00 51.96 52.57 1j5i s ALA 92 Cb -0.17 -3.70 -0.03 0.00 0.00 0.00 0.00 23.12 19.22 1j5i s ALA 92 CO 0.14 -1.41 0.58 0.00 0.00 0.00 0.00 175.76 175.06 1j5i s GLN 94 N 2.08 3.84 -0.36 0.00 -2.07 -0.55 -0.91 119.66 121.69 1j5i s GLN 94 Ca 0.25 -0.38 -0.23 0.00 -1.82 0.00 0.00 55.36 53.18 1j5i s GLN 94 Cb -0.16 -3.44 0.01 0.00 -1.09 0.00 0.00 33.01 28.34 1j5i s GLN 94 CO 0.09 -0.09 0.76 0.08 -1.32 0.00 0.00 175.29 174.82 1j5i s VAL 95 N 1.40 4.75 0.28 3.63 1.01 -0.35 -0.90 120.40 130.23 1j5i s VAL 95 Ca 0.06 0.84 -0.19 0.00 0.00 0.00 0.00 61.98 62.69 1j5i s VAL 95 Cb -0.15 -4.20 0.07 0.00 0.00 0.00 0.00 36.38 32.10 1j5i s VAL 95 CO 0.06 -0.42 0.93 -0.83 0.00 0.00 0.00 175.10 174.83 1j5i s GLY 96 N 1.84 0.24 -0.20 4.51 0.00 0.08 -1.53 107.32 112.25 1j5i s GLY 96 Ca 0.30 -0.54 -0.06 0.00 0.00 0.00 0.00 44.72 44.42 1j5i s GLY 96 CO 0.17 1.27 0.03 0.48 0.00 0.00 0.00 173.10 175.04 1j5i s LEU 97 N -3.27 3.48 0.41 0.66 0.05 -1.26 0.42 118.68 119.17 1j5i s LEU 97 Ca 0.19 -0.10 -0.12 0.00 0.05 0.00 0.00 54.13 54.15 1j5i s LEU 97 Cb -0.04 -1.89 -0.07 0.00 -2.05 0.00 0.00 46.19 42.15 1j5i s LEU 97 CO 0.08 0.09 0.80 -0.94 -0.55 0.00 0.00 176.35 175.83 1j5i s SER 98 N 0.87 6.56 0.50 1.48 1.04 -0.08 -4.47 113.70 119.60 1j5i s SER 98 Ca 0.02 1.22 -0.04 0.00 0.48 0.00 0.00 55.95 57.63 1j5i s SER 98 Cb -0.14 -2.36 -0.02 0.00 0.10 0.00 0.00 66.02 63.61 1j5i s SER 98 CO 0.02 -0.41 0.78 -1.81 0.98 0.00 0.00 173.24 172.80 1j5i s ASP 99 N -3.05 5.97 -0.04 7.02 -0.00 -1.23 -2.66 116.67 122.68 1j5i s ASP 99 Ca 0.53 0.69 0.07 0.00 -0.00 0.00 0.00 52.55 53.83 1j5i s ASP 99 Cb -0.10 -1.92 0.26 0.00 -0.00 0.00 0.00 42.92 41.15 1j5i s ASP 99 CO 0.30 -0.73 1.08 0.00 -0.00 0.00 0.00 175.17 175.82 1j5i n ALA 100 N -2.28 2.69 -1.48 5.23 0.00 -1.26 -4.36 120.51 119.04 1j5i n ALA 100 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1j5i n ALA 100 Cb 0.56 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1j5i n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j5i n ALA 101 N 0.24 0.22 0.00 0.00 0.00 -1.26 -5.06 120.51 114.65 1j5i n ALA 101 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1j5i n ALA 101 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1j5i n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j5i n GLY 102 N 3.00 0.00 3.11 0.00 0.00 -1.26 -5.17 105.19 104.87 1j5i n GLY 102 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1j5i n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j5i s ASN 103 N 0.00 0.84 -0.41 1.61 0.02 -1.26 -5.09 114.94 110.65 1j5i s ASN 103 Ca 0.00 -0.88 0.10 0.00 -1.02 0.00 0.00 52.86 51.06 1j5i s ASN 103 Cb 0.00 0.11 0.33 0.00 0.02 0.00 0.00 41.25 41.71 1j5i s ASN 103 CO 0.00 -0.44 0.72 0.61 0.02 0.00 0.00 177.10 178.01 1j5i n GLY 104 N 0.40 3.77 0.19 0.66 0.00 -1.26 -3.53 105.19 105.42 1j5i n GLY 104 Ca -0.16 -1.84 -0.16 0.00 0.00 0.00 0.00 46.02 43.87 1j5i n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j5i h PRO 105 N 3.21 0.59 -6.67 1.61 0.13 -1.99 -3.44 132.00 125.44 1j5i h PRO 105 Ca 0.10 -0.57 -0.50 0.00 -0.87 0.00 0.00 66.00 64.16 1j5i h PRO 105 Cb 0.89 0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 1j5i h PRO 105 CO 0.54 1.19 0.11 -2.00 -0.23 0.00 0.00 178.00 177.61 1j5i s GLU 106 N -3.46 4.12 0.00 0.86 2.56 -1.26 -4.98 118.70 116.54 1j5i s GLU 106 Ca -0.08 0.78 0.00 0.00 0.00 0.00 0.00 54.97 55.67 1j5i s GLU 106 Cb 0.08 -2.62 0.00 0.00 2.00 0.00 0.00 34.13 33.59 1j5i s GLU 106 CO 0.89 0.26 0.00 0.41 -0.56 0.00 0.00 175.26 176.26 1j5i n GLY 107 N 0.11 3.46 3.48 -1.50 0.00 -1.26 -4.40 105.19 105.09 1j5i n GLY 107 Ca 0.01 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 1j5i n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j5i s VAL 108 N 0.00 4.32 -0.84 1.61 0.11 -0.58 -4.71 120.40 120.31 1j5i s VAL 108 Ca 0.00 -0.18 -0.26 0.00 -2.93 0.00 0.00 61.98 58.62 1j5i s VAL 108 Cb 0.00 -3.00 -0.13 0.00 -1.53 0.00 0.00 36.38 31.72 1j5i s VAL 108 CO 0.00 0.37 2.31 0.00 -3.33 0.00 0.00 175.10 174.45 1j5i s ALA 109 N 1.31 0.82 0.39 1.54 0.00 -1.26 -1.21 121.76 123.35 1j5i s ALA 109 Ca 0.05 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 1j5i s ALA 109 Cb -0.15 -4.59 -0.03 0.00 0.00 0.00 0.00 23.12 18.35 1j5i s ALA 109 CO 0.03 -5.87 0.63 -1.50 0.00 0.00 0.00 175.76 169.05 1j5i s ILE 110 N 14.32 4.99 0.00 0.00 1.10 -0.09 -4.80 121.20 136.71 1j5i s ILE 110 Ca 0.88 -0.26 0.00 0.00 -0.51 0.00 0.00 60.65 60.76 1j5i s ILE 110 Cb -0.11 -3.84 0.00 0.00 0.15 0.00 0.00 42.46 38.66 1j5i s ILE 110 CO 0.08 -0.64 0.00 -1.20 -2.11 0.00 0.00 174.94 171.07 1j5i n SER 111 N -1.95 0.00 -3.62 4.50 7.64 -0.77 -4.06 113.62 115.36 1j5i n SER 111 Ca -0.03 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.68 1j5i n SER 111 Cb 0.56 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.61 1j5i n SER 111 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1j5i s PHE 112 N 0.00 -0.23 -0.01 1.43 -0.71 -1.14 0.12 117.98 117.44 1j5i s PHE 112 Ca 0.00 0.54 0.00 0.00 -1.04 0.00 0.00 56.93 56.43 1j5i s PHE 112 Cb 0.00 -0.26 0.00 0.00 -1.21 0.00 0.00 43.02 41.55 1j5i s PHE 112 CO 0.00 -0.38 0.00 0.27 -1.34 0.00 0.00 175.22 173.77