#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 -1.29 0.00 0.00 -1.26 -4.74 120.51 113.22 1j5i n ALA 2 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1j5i n ALA 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1j5i n ALA 2 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1j5i n PRO 3 N 0.00 2.32 -0.93 0.00 -0.04 -1.26 -3.36 135.00 131.73 1j5i n PRO 3 Ca 0.00 -2.07 0.13 0.00 -0.04 0.00 0.00 63.50 61.51 1j5i n PRO 3 Cb 0.00 -2.95 -0.03 0.00 -0.04 0.00 0.00 33.50 30.48 1j5i n PRO 3 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1j5i n THR 4 N 5.10 0.00 -1.66 0.52 -2.24 -1.23 -4.50 114.28 110.27 1j5i n THR 4 Ca 0.53 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.88 1j5i n THR 4 Cb 0.33 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 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 -1.55 1.47 -2.97 6.98 0.00 -1.25 -3.78 120.51 119.41 1j5i n ALA 5 Ca 0.01 0.21 -0.10 0.00 0.00 0.00 0.00 53.44 53.55 1j5i n ALA 5 Cb 0.42 -2.66 -0.12 0.00 0.00 0.00 0.00 19.45 17.10 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 4.56 0.08 -0.46 0.00 -4.23 -0.41 -4.17 115.64 111.01 1j5i s THR 6 Ca 0.90 -0.67 -0.28 0.00 -1.18 0.00 0.00 61.69 60.45 1j5i s THR 6 Cb -0.48 -0.22 0.01 0.00 1.34 0.00 0.00 72.50 73.15 1j5i s THR 6 CO 0.44 -0.37 1.45 -0.69 -0.54 0.00 0.00 174.62 174.91 1j5i s VAL 7 N -1.10 3.82 0.11 2.29 1.01 -1.26 -2.50 120.40 122.77 1j5i s VAL 7 Ca -0.12 0.79 -0.21 0.00 0.00 0.00 0.00 61.98 62.44 1j5i s VAL 7 Cb -0.07 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 1j5i s VAL 7 CO -0.01 -0.86 1.32 0.41 0.00 0.00 0.00 175.10 175.96 1j5i n THR 8 N 7.05 -0.47 0.00 3.92 -1.04 -0.73 -4.51 114.28 118.50 1j5i n THR 8 Ca 0.16 2.05 0.00 0.00 -2.04 0.00 0.00 64.05 64.22 1j5i n THR 8 Cb 0.48 -2.57 0.00 0.00 -1.82 0.00 0.00 70.33 66.42 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 -4.57 1.59 -0.08 -2.82 -0.04 -1.26 -5.02 135.00 122.79 1j5i n PRO 9 Ca 0.01 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.25 1j5i n PRO 9 Cb 0.18 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.52 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 0.00 1.96 -1.23 3.54 7.64 -1.26 -4.97 113.62 119.30 1j5i n SER 10 Ca 0.00 0.30 0.16 0.00 1.01 0.00 0.00 58.87 60.34 1j5i n SER 10 Cb 0.00 -0.87 -0.04 0.00 -1.01 0.00 0.00 64.21 62.29 1j5i n SER 10 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1j5i n SER 11 N -4.04 -7.31 0.00 6.43 3.41 -1.26 -1.36 113.62 109.49 1j5i n SER 11 Ca -0.37 1.27 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 1j5i n SER 11 Cb 0.84 -3.64 0.00 0.00 -0.26 0.00 0.00 64.21 61.16 1j5i n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j5i n GLY 12 N -3.52 1.27 0.28 5.00 0.00 -1.25 -2.44 105.19 104.52 1j5i n GLY 12 Ca 0.01 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.22 1j5i n GLY 12 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1j5i h LEU 13 N 0.00 0.00 -7.46 0.99 8.10 -0.25 -2.49 115.31 114.20 1j5i h LEU 13 Ca 0.00 0.00 -0.63 0.00 0.11 0.00 0.00 57.88 57.36 1j5i h LEU 13 Cb 0.00 0.00 -0.40 0.00 -0.44 0.00 0.00 40.66 39.82 1j5i h LEU 13 CO 0.00 0.00 -0.73 -0.55 -4.11 0.00 0.00 178.44 173.05 1j5i s SER 14 N -5.00 4.45 -1.01 0.17 0.15 -1.26 -4.49 113.70 106.70 1j5i s SER 14 Ca -0.02 -2.08 -0.27 0.00 0.70 0.00 0.00 55.95 54.28 1j5i s SER 14 Cb 0.11 -1.36 -0.23 0.00 -1.71 0.00 0.00 66.02 62.82 1j5i s SER 14 CO 0.40 -0.38 2.05 -0.67 1.20 0.00 0.00 173.24 175.85 1j5i n ASP 15 N 4.33 1.52 0.00 5.45 2.03 -1.25 -0.85 116.55 127.77 1j5i n ASP 15 Ca 0.02 -2.52 0.00 0.00 0.52 0.00 0.00 54.79 52.82 1j5i n ASP 15 Cb 0.41 -1.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.18 1j5i n ASP 15 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j5i n GLY 16 N 5.99 0.86 3.74 0.27 0.00 0.23 -4.70 105.19 111.58 1j5i n GLY 16 Ca 0.42 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.28 5.16 -0.28 2.61 -1.32 -0.03 -4.69 115.64 115.80 1j5i s THR 17 Ca 0.00 0.91 -0.27 0.00 -1.21 0.00 0.00 61.69 61.13 1j5i s THR 17 Cb 0.00 -3.79 0.01 0.00 -1.51 0.00 0.00 72.50 67.21 1j5i s THR 17 CO 0.00 0.37 0.94 -0.69 -2.21 0.00 0.00 174.62 173.04 1j5i s VAL 18 N 0.32 4.68 0.33 5.08 1.01 -1.26 0.21 120.40 130.77 1j5i s VAL 18 Ca 0.25 1.60 0.03 0.00 0.00 0.00 0.00 61.98 63.87 1j5i s VAL 18 Cb -0.15 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 1j5i s VAL 18 CO 0.10 -0.28 0.13 0.68 0.00 0.00 0.00 175.10 175.73 1j5i s VAL 19 N 3.22 0.56 -0.15 2.92 -7.23 0.19 -4.97 120.40 114.94 1j5i s VAL 19 Ca 0.39 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.57 1j5i s VAL 19 Cb -0.14 -2.52 -0.00 0.00 0.56 0.00 0.00 36.38 34.28 1j5i s VAL 19 CO 0.11 0.00 -0.16 -0.75 -0.31 0.00 0.00 175.10 173.99 1j5i s LYS 20 N -3.81 3.20 -1.00 4.82 2.20 -1.26 -1.44 119.74 122.43 1j5i s LYS 20 Ca 0.33 -0.76 -0.13 0.00 -0.36 0.00 0.00 55.97 55.05 1j5i s LYS 20 Cb 0.05 -2.60 0.22 0.00 -1.51 0.00 0.00 37.83 34.00 1j5i s LYS 20 CO 0.16 0.02 1.04 0.08 -0.36 0.00 0.00 175.35 176.29 1j5i s VAL 21 N 0.80 5.58 -0.19 4.02 1.01 0.15 -1.78 120.40 129.99 1j5i s VAL 21 Ca -0.06 -2.76 -0.15 0.00 0.00 0.00 0.00 61.98 59.02 1j5i s VAL 21 Cb -0.15 -4.62 -0.04 0.00 0.00 0.00 0.00 36.38 31.56 1j5i s VAL 21 CO -0.00 -1.23 0.35 0.00 0.00 0.00 0.00 175.10 174.22 1j5i s ALA 22 N 0.11 3.57 -0.07 5.51 0.00 -1.04 -1.39 121.76 128.45 1j5i s ALA 22 Ca 0.28 -0.52 -0.01 0.00 0.00 0.00 0.00 51.96 51.71 1j5i s ALA 22 Cb -0.08 -2.53 0.03 0.00 0.00 0.00 0.00 23.12 20.53 1j5i s ALA 22 CO -0.07 -0.15 -0.01 0.20 0.00 0.00 0.00 175.76 175.72 1j5i s GLY 23 N 0.85 0.49 -0.24 0.00 0.00 0.19 -0.28 107.32 108.32 1j5i s GLY 23 Ca 0.18 -0.13 -0.07 0.00 0.00 0.00 0.00 44.72 44.69 1j5i s GLY 23 CO 0.06 1.00 0.06 0.00 0.00 0.00 0.00 173.10 174.23 1j5i s ALA 24 N 1.77 3.17 0.00 3.20 0.00 -1.17 0.22 121.76 128.95 1j5i s ALA 24 Ca 0.02 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1j5i s ALA 24 Cb -0.13 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 20.95 1j5i s ALA 24 CO -0.05 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.72 1j5i n GLY 25 N 4.76 0.59 0.00 0.00 0.00 0.47 -3.51 105.19 107.50 1j5i n GLY 25 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.00 -4.51 0.99 7.94 -0.51 -4.66 117.00 116.25 1j5i n LEU 26 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 1j5i n LEU 26 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 1j5i n LEU 26 CO 0.00 0.00 1.29 0.00 -1.11 0.00 0.00 177.39 177.57 1j5i n GLN 27 N 0.00 0.30 -1.55 1.96 1.13 -1.26 -4.53 117.38 113.43 1j5i n GLN 27 Ca 0.00 -0.87 -0.21 0.00 -1.94 0.00 0.00 57.00 53.97 1j5i n GLN 27 Cb 0.00 -3.12 -0.07 0.00 0.11 0.00 0.00 30.24 27.16 1j5i n GLN 27 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1j5i n ALA 28 N 15.87 0.51 -0.91 -1.58 0.00 -1.26 -1.28 120.51 131.86 1j5i n ALA 28 Ca 0.45 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.69 1j5i n ALA 28 Cb 0.40 -3.19 0.00 0.00 0.00 0.00 0.00 19.45 16.66 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 6.49 0.25 2.61 0.00 0.00 0.52 -4.75 105.19 110.31 1j5i n GLY 29 Ca 0.46 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.27 0.00 -3.68 2.61 -1.04 -0.40 -4.79 114.28 104.70 1j5i n THR 30 Ca 0.00 -1.01 -0.21 0.00 -2.04 0.00 0.00 64.05 60.79 1j5i n THR 30 Cb 0.21 -1.13 -0.18 0.00 -1.82 0.00 0.00 70.33 67.42 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 -3.16 0.32 0.49 2.41 0.00 -1.26 -1.56 121.76 119.00 1j5i s ALA 31 Ca 0.45 0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.56 1j5i s ALA 31 Cb -0.02 -0.66 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 1j5i s ALA 31 CO 0.30 -0.52 0.06 0.71 0.00 0.00 0.00 175.76 176.31 1j5i s TYR 32 N 2.13 2.04 -0.37 0.00 1.51 0.91 -4.72 117.35 118.84 1j5i s TYR 32 Ca 0.05 -0.86 -0.15 0.00 -1.01 0.00 0.00 57.07 55.10 1j5i s TYR 32 Cb -0.12 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.02 1j5i s TYR 32 CO -0.04 0.20 0.34 -0.51 -1.11 0.00 0.00 175.55 174.44 1j5i s ASP 33 N -3.88 6.14 0.15 2.29 -0.00 -0.79 0.45 116.67 121.04 1j5i s ASP 33 Ca 0.17 -0.51 -0.28 0.00 -0.00 0.00 0.00 52.55 51.94 1j5i s ASP 33 Cb 0.03 -2.18 -0.07 0.00 -0.00 0.00 0.00 42.92 40.70 1j5i s ASP 33 CO 0.09 -0.39 0.87 0.54 -0.00 0.00 0.00 175.17 176.28 1j5i s VAL 34 N 1.91 4.39 0.00 -1.27 0.11 -0.30 -0.44 120.40 124.80 1j5i s VAL 34 Ca 0.09 1.89 0.00 0.00 -2.93 0.00 0.00 61.98 61.03 1j5i s VAL 34 Cb -0.17 -4.24 0.00 0.00 -1.53 0.00 0.00 36.38 30.44 1j5i s VAL 34 CO 0.11 0.43 0.00 0.61 -3.33 0.00 0.00 175.10 172.93 1j5i n GLY 35 N 1.89 1.69 3.41 6.54 0.00 0.27 -0.83 105.19 118.15 1j5i n GLY 35 Ca -0.02 -0.61 -0.44 0.00 0.00 0.00 0.00 46.02 44.95 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 0.06 1.61 -0.21 -1.26 -1.80 119.66 119.16 1j5i s GLN 36 Ca 0.00 -1.10 0.03 0.00 0.02 0.00 0.00 55.36 54.31 1j5i s GLN 36 Cb 0.00 -4.20 -0.04 0.00 1.00 0.00 0.00 33.01 29.77 1j5i s GLN 36 CO 0.00 -1.45 0.04 0.00 -2.12 0.00 0.00 175.29 171.77 1j5i s ALA 38 N -1.31 -2.40 -0.30 0.00 0.00 -0.62 -1.42 121.76 115.71 1j5i s ALA 38 Ca 0.26 1.12 -0.29 0.00 0.00 0.00 0.00 51.96 53.06 1j5i s ALA 38 Cb -0.12 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1j5i s ALA 38 CO 0.19 -0.95 1.72 1.67 0.00 0.00 0.00 175.76 178.39 1j5i s TRP 39 N -2.10 1.92 -0.23 0.00 1.48 -1.26 0.43 118.94 119.18 1j5i s TRP 39 Ca 0.14 0.59 -0.11 0.00 -1.06 0.00 0.00 56.10 55.66 1j5i s TRP 39 Cb 0.05 -4.11 -0.18 0.00 -1.16 0.00 0.00 33.47 28.08 1j5i s TRP 39 CO -0.05 -2.91 -0.05 1.55 -4.06 0.00 0.00 176.95 171.43 1j5i n VAL 40 N 7.13 1.57 -0.94 -0.66 3.14 -0.47 -4.72 118.33 123.37 1j5i n VAL 40 Ca 0.21 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 1j5i n VAL 40 Cb 0.46 -1.79 0.00 0.00 -1.06 0.00 0.00 33.84 31.46 1j5i n VAL 40 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1j5i n ASP 41 N -3.92 0.00 -4.55 6.55 4.64 -1.18 -4.89 116.55 113.20 1j5i n ASP 41 Ca -0.43 0.00 -0.40 0.00 -1.38 0.00 0.00 54.79 52.58 1j5i n ASP 41 Cb 0.89 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.94 1j5i n ASP 41 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 1j5i s THR 42 N 1.51 3.65 -1.73 5.18 -1.32 -1.26 -3.64 115.64 118.03 1j5i s THR 42 Ca 0.00 0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 1j5i s THR 42 Cb 0.00 -4.70 0.00 0.00 -1.51 0.00 0.00 72.50 66.29 1j5i s THR 42 CO 0.00 -1.64 0.00 0.61 -2.21 0.00 0.00 174.62 171.38 1j5i n GLY 43 N 5.62 1.28 3.40 6.08 0.00 -1.26 -4.92 105.19 115.40 1j5i n GLY 43 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.49 4.34 -0.51 1.61 1.01 -1.24 -5.04 120.40 118.09 1j5i s VAL 44 Ca 0.00 -0.51 -0.27 0.00 0.00 0.00 0.00 61.98 61.20 1j5i s VAL 44 Cb 0.00 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1j5i s VAL 44 CO 0.00 0.09 1.78 -0.22 0.00 0.00 0.00 175.10 176.75 1j5i s LEU 45 N 1.57 3.39 -0.09 3.92 0.20 -1.26 -1.37 118.68 125.03 1j5i s LEU 45 Ca 0.04 0.68 0.01 0.00 0.69 0.00 0.00 54.13 55.54 1j5i s LEU 45 Cb -0.17 -2.94 -0.02 0.00 -0.43 0.00 0.00 46.19 42.62 1j5i s LEU 45 CO 0.05 -2.06 -0.11 0.00 -0.29 0.00 0.00 176.35 173.94 1j5i s ALA 46 N 7.97 2.78 0.22 5.97 0.00 0.17 -1.29 121.76 137.57 1j5i s ALA 46 Ca 0.70 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.75 1j5i s ALA 46 Cb -0.16 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 1j5i s ALA 46 CO 0.26 0.42 0.41 0.00 0.00 0.00 0.00 175.76 176.85 1j5i s ASN 48 N -3.32 6.16 0.17 0.00 0.02 -1.03 0.40 114.94 117.33 1j5i s ASN 48 Ca 0.38 1.37 0.24 0.00 -1.02 0.00 0.00 52.86 53.84 1j5i s ASN 48 Cb -0.11 -2.41 0.91 0.00 0.02 0.00 0.00 41.25 39.66 1j5i s ASN 48 CO 0.30 -0.90 1.73 -0.81 0.02 0.00 0.00 177.10 177.44 1j5i n PRO 49 N -2.75 0.16 -0.38 -0.60 -0.04 -1.24 -2.18 135.00 127.97 1j5i n PRO 49 Ca 0.06 0.26 0.08 0.00 -0.04 0.00 0.00 63.50 63.86 1j5i n PRO 49 Cb 0.54 -1.74 0.25 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.70 2.67 0.77 0.55 0.00 -1.26 -4.34 120.51 117.19 1j5i n ALA 50 Ca 0.04 -1.60 0.04 0.00 0.00 0.00 0.00 53.44 51.93 1j5i n ALA 50 Cb 0.31 -0.70 0.15 0.00 0.00 0.00 0.00 19.45 19.21 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 0.47 2.06 -4.22 0.00 2.03 -0.92 -4.61 116.55 111.35 1j5i n ASP 51 Ca 0.19 -2.12 -0.42 0.00 0.52 0.00 0.00 54.79 52.95 1j5i n ASP 51 Cb 0.69 -0.32 -0.05 0.00 -0.72 0.00 0.00 41.12 40.72 1j5i n ASP 51 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1j5i s PHE 52 N -1.63 3.67 -0.43 -0.67 0.08 -1.19 -2.97 117.98 114.83 1j5i s PHE 52 Ca 0.21 -2.40 0.05 0.00 0.12 0.00 0.00 56.93 54.91 1j5i s PHE 52 Cb 0.13 -3.54 0.17 0.00 -0.57 0.00 0.00 43.02 39.21 1j5i s PHE 52 CO 0.12 -0.91 0.47 -1.12 -0.10 0.00 0.00 175.22 173.68 1j5i s SER 53 N 1.36 0.42 0.24 1.36 0.01 -0.01 -4.97 113.70 112.10 1j5i s SER 53 Ca 0.19 -2.14 -0.31 0.00 1.31 0.00 0.00 55.95 55.01 1j5i s SER 53 Cb -0.14 0.63 -0.14 0.00 0.21 0.00 0.00 66.02 66.58 1j5i s SER 53 CO -0.07 -0.16 1.18 -1.54 0.41 0.00 0.00 173.24 173.06 1j5i n SER 54 N 3.37 1.76 -4.14 2.44 3.41 -1.26 -1.14 113.62 118.06 1j5i n SER 54 Ca 0.20 1.16 -0.11 0.00 -0.26 0.00 0.00 58.87 59.86 1j5i n SER 54 Cb 0.50 -1.31 -0.09 0.00 -0.26 0.00 0.00 64.21 63.05 1j5i n SER 54 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1j5i s VAL 55 N -0.48 0.03 0.00 -3.33 -7.23 0.17 -4.80 120.40 104.76 1j5i s VAL 55 Ca 0.66 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 1j5i s VAL 55 Cb -0.74 -2.30 -0.00 0.00 0.56 0.00 0.00 36.38 33.89 1j5i s VAL 55 CO 0.55 -0.13 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.31 1j5i s THR 56 N -4.10 0.04 -0.16 5.32 2.01 -1.26 -0.07 115.64 117.42 1j5i s THR 56 Ca 0.32 -0.13 -0.06 0.00 0.31 0.00 0.00 61.69 62.14 1j5i s THR 56 Cb 0.06 -0.06 -0.04 0.00 0.01 0.00 0.00 72.50 72.47 1j5i s THR 56 CO 0.08 -0.06 0.02 0.00 -0.69 0.00 0.00 174.62 173.98 1j5i s ALA 57 N -0.19 3.25 0.92 7.40 0.00 -0.60 -4.41 121.76 128.13 1j5i s ALA 57 Ca -0.02 -0.77 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 1j5i s ALA 57 Cb -0.01 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 1j5i s ALA 57 CO -0.00 0.24 0.06 -0.25 0.00 0.00 0.00 175.76 175.80 1j5i n ASP 58 N 3.38 -3.15 -0.55 0.00 10.43 0.15 0.20 116.55 127.00 1j5i n ASP 58 Ca -0.17 0.33 0.46 0.00 2.57 0.00 0.00 54.79 57.98 1j5i n ASP 58 Cb 0.52 -1.07 0.76 0.00 1.84 0.00 0.00 41.12 43.18 1j5i n ASP 58 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1j5i h ALA 59 N -1.18 3.58 -0.43 2.24 0.00 -1.86 2.75 119.26 124.35 1j5i h ALA 59 Ca -0.44 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.16 1j5i h ALA 59 Cb 1.30 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 19.09 1j5i h ALA 59 CO 0.32 -2.13 0.33 -1.71 0.00 0.00 0.00 179.25 176.06 1j5i n ASN 60 N -3.88 4.66 -4.31 0.00 5.15 -1.26 -4.07 115.26 111.54 1j5i n ASN 60 Ca 0.37 -2.83 -0.36 0.00 -0.60 0.00 0.00 54.58 51.16 1j5i n ASN 60 Cb 1.78 -0.83 -0.05 0.00 -0.53 0.00 0.00 39.78 40.15 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 0.08 -0.36 3.25 8.20 0.00 0.91 -3.26 105.19 114.00 1j5i n GLY 61 Ca 0.26 0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.54 5.99 -0.49 1.61 0.01 -0.94 0.18 113.70 116.51 1j5i s SER 62 Ca 0.59 -2.16 -0.11 0.00 1.31 0.00 0.00 55.95 55.59 1j5i s SER 62 Cb -0.33 -2.08 0.12 0.00 0.21 0.00 0.00 66.02 63.94 1j5i s SER 62 CO 0.96 -0.67 0.39 0.00 0.41 0.00 0.00 173.24 174.33 1j5i s ALA 63 N 1.00 3.46 -0.95 1.44 0.00 0.13 0.34 121.76 127.19 1j5i s ALA 63 Ca 0.09 -2.56 -0.05 0.00 0.00 0.00 0.00 51.96 49.44 1j5i s ALA 63 Cb -0.23 -2.93 0.24 0.00 0.00 0.00 0.00 23.12 20.19 1j5i s ALA 63 CO -0.02 -1.94 0.87 -1.54 0.00 0.00 0.00 175.76 173.14 1j5i s SER 64 N 2.85 6.43 -0.23 0.00 1.04 -1.25 -0.64 113.70 121.91 1j5i s SER 64 Ca 0.05 -3.60 -0.06 0.00 0.48 0.00 0.00 55.95 52.82 1j5i s SER 64 Cb -0.27 -2.02 -0.02 0.00 0.10 0.00 0.00 66.02 63.81 1j5i s SER 64 CO -0.00 -0.24 0.04 0.28 0.98 0.00 0.00 173.24 174.30 1j5i s THR 65 N -1.21 4.10 -0.09 2.02 -1.32 -0.49 -4.87 115.64 113.78 1j5i s THR 65 Ca 0.28 -0.25 -0.14 0.00 -1.21 0.00 0.00 61.69 60.37 1j5i s THR 65 Cb -0.09 -2.90 -0.05 0.00 -1.51 0.00 0.00 72.50 67.96 1j5i s THR 65 CO -0.10 0.37 0.36 -0.94 -2.21 0.00 0.00 174.62 172.09 1j5i s SER 66 N 1.46 6.62 0.36 8.08 1.04 -1.26 0.32 113.70 130.30 1j5i s SER 66 Ca 0.05 0.73 -0.03 0.00 0.48 0.00 0.00 55.95 57.18 1j5i s SER 66 Cb -0.15 -2.22 0.01 0.00 0.10 0.00 0.00 66.02 63.77 1j5i s SER 66 CO 0.02 0.19 0.52 -0.22 0.98 0.00 0.00 173.24 174.73 1j5i s LEU 67 N -0.20 0.94 -0.19 2.42 1.98 -0.52 -4.95 118.68 118.15 1j5i s LEU 67 Ca 0.21 -1.48 -0.07 0.00 -2.89 0.00 0.00 54.13 49.89 1j5i s LEU 67 Cb -0.15 1.63 -0.04 0.00 0.66 0.00 0.00 46.19 48.30 1j5i s LEU 67 CO 0.09 -1.36 0.07 0.28 -1.89 0.00 0.00 176.35 173.53 1j5i s THR 68 N -2.88 4.76 -0.94 3.68 -1.32 -1.26 -0.64 115.64 117.04 1j5i s THR 68 Ca 0.29 -0.04 -0.19 0.00 -1.21 0.00 0.00 61.69 60.54 1j5i s THR 68 Cb -0.01 -3.15 0.12 0.00 -1.51 0.00 0.00 72.50 67.95 1j5i s THR 68 CO 0.20 0.45 1.16 -0.69 -2.21 0.00 0.00 174.62 173.53 1j5i s VAL 69 N 0.50 4.65 -1.18 5.08 1.01 0.56 -4.77 120.40 126.24 1j5i s VAL 69 Ca 0.03 -1.50 -0.09 0.00 0.00 0.00 0.00 61.98 60.43 1j5i s VAL 69 Cb -0.13 -4.81 0.23 0.00 0.00 0.00 0.00 36.38 31.67 1j5i s VAL 69 CO 0.01 -1.55 1.54 0.54 0.00 0.00 0.00 175.10 175.64 1j5i n ARG 70 N 6.78 3.82 -0.31 2.72 1.74 -1.26 0.77 116.66 130.91 1j5i n ARG 70 Ca 0.25 -4.06 0.27 0.00 -0.77 0.00 0.00 57.85 53.54 1j5i n ARG 70 Cb 0.49 -2.76 0.47 0.00 -1.02 0.00 0.00 32.46 29.64 1j5i n ARG 70 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1j5i n ARG 71 N 3.25 -0.03 -3.18 5.56 0.63 -1.26 -3.77 116.66 117.87 1j5i n ARG 71 Ca 0.32 0.92 -0.40 0.00 -0.92 0.00 0.00 57.85 57.78 1j5i n ARG 71 Cb 0.37 -1.77 -0.06 0.00 0.45 0.00 0.00 32.46 31.45 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 -4.44 6.64 0.03 6.15 1.04 -1.25 -1.49 113.70 120.39 1j5i s SER 72 Ca -0.06 0.77 -0.29 0.00 0.48 0.00 0.00 55.95 56.86 1j5i s SER 72 Cb 0.23 -2.32 0.10 0.00 0.10 0.00 0.00 66.02 64.12 1j5i s SER 72 CO 0.58 -0.22 1.12 0.72 0.98 0.00 0.00 173.24 176.42 1j5i s PHE 73 N 1.72 -0.11 -0.76 5.02 -0.12 -0.60 -4.93 117.98 118.21 1j5i s PHE 73 Ca 0.27 -0.07 -0.18 0.00 -0.05 0.00 0.00 56.93 56.89 1j5i s PHE 73 Cb -0.16 0.58 0.13 0.00 -0.63 0.00 0.00 43.02 42.94 1j5i s PHE 73 CO 0.10 -0.50 0.89 -2.00 -0.05 0.00 0.00 175.22 173.66 1j5i s GLU 74 N -2.81 3.35 0.85 1.99 2.12 -1.25 -0.48 118.70 122.47 1j5i s GLU 74 Ca 0.12 -1.63 -0.12 0.00 0.36 0.00 0.00 54.97 53.71 1j5i s GLU 74 Cb 0.02 -4.52 0.11 0.00 0.26 0.00 0.00 34.13 30.00 1j5i s GLU 74 CO -0.02 -1.61 1.16 0.20 -0.54 0.00 0.00 175.26 174.46 1j5i s GLY 75 N 3.37 1.89 -0.08 -1.50 0.00 0.15 -3.70 107.32 107.44 1j5i s GLY 75 Ca 0.21 0.66 -0.01 0.00 0.00 0.00 0.00 44.72 45.59 1j5i s GLY 75 CO -0.02 1.07 -0.03 -1.36 0.00 0.00 0.00 173.10 172.77 1j5i s PHE 76 N -2.47 0.89 0.49 1.90 0.40 0.16 -1.22 117.98 118.15 1j5i s PHE 76 Ca 0.69 -0.32 -0.21 0.00 -0.60 0.00 0.00 56.93 56.48 1j5i s PHE 76 Cb -0.24 -0.89 -0.09 0.00 0.51 0.00 0.00 43.02 42.31 1j5i s PHE 76 CO 0.54 -0.35 0.84 1.28 0.70 0.00 0.00 175.22 178.24 1j5i n LEU 77 N 4.87 2.16 0.17 -0.37 4.77 0.17 -0.80 117.00 127.97 1j5i n LEU 77 Ca -0.12 0.90 0.02 0.00 -0.03 0.00 0.00 56.01 56.78 1j5i n LEU 77 Cb 0.50 -1.29 0.34 0.00 -2.33 0.00 0.00 43.42 40.64 1j5i n LEU 77 CO 0.15 -2.07 0.72 0.15 -1.33 0.00 0.00 177.39 175.01 1j5i h PHE 78 N 0.93 0.05 0.26 -1.77 3.57 -1.45 -3.08 116.94 115.46 1j5i h PHE 78 Ca -0.45 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1j5i h PHE 78 Cb 1.36 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 40.07 1j5i h PHE 78 CO 0.39 0.40 -0.32 0.22 -2.23 0.00 0.00 178.31 176.77 1j5i h ASP 79 N 0.04 -0.87 0.00 0.41 1.82 -1.89 -3.46 116.42 112.46 1j5i h ASP 79 Ca 0.00 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 1j5i h ASP 79 Cb 0.66 0.31 0.00 0.00 0.68 0.00 0.00 39.33 40.98 1j5i h ASP 79 CO 0.05 -0.44 0.00 0.61 -1.61 0.00 0.00 179.24 177.85 1j5i n GLY 80 N -1.43 0.28 3.78 -0.78 0.00 -1.16 -5.14 105.19 100.74 1j5i n GLY 80 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 3.85 0.03 2.61 2.01 -1.26 -4.82 115.64 118.06 1j5i s THR 81 Ca 0.00 1.53 -0.15 0.00 0.31 0.00 0.00 61.69 63.38 1j5i s THR 81 Cb 0.00 -3.84 -0.06 0.00 0.01 0.00 0.00 72.50 68.61 1j5i s THR 81 CO 0.00 0.11 0.44 0.00 -0.69 0.00 0.00 174.62 174.48 1j5i s ARG 82 N -2.17 3.95 0.00 4.92 1.70 -1.26 0.44 118.95 126.52 1j5i s ARG 82 Ca 0.53 0.44 0.00 0.00 -0.47 0.00 0.00 55.73 56.23 1j5i s ARG 82 Cb -0.22 -3.18 0.00 0.00 -0.57 0.00 0.00 34.95 30.98 1j5i s ARG 82 CO 0.28 0.66 0.00 1.87 -1.08 0.00 0.00 175.30 177.03 1j5i n TRP 83 N 1.64 0.00 0.00 5.89 -0.00 -0.35 -4.79 117.44 119.82 1j5i n TRP 83 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.38 1j5i n TRP 83 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.83 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 3.49 0.69 5.00 5.87 0.00 -0.42 -4.79 105.19 115.02 1j5i n GLY 84 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.30 114.28 114.88 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 -1.55 12.58 0.31 0.36 -4.68 118.33 125.36 1j5i n VAL 86 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 1j5i n VAL 86 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 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 8.82 1.49 -3.09 4.52 2.03 -1.26 -1.56 116.55 127.50 1j5i n ASP 87 Ca 0.00 -1.07 -0.31 0.00 0.52 0.00 0.00 54.79 53.93 1j5i n ASP 87 Cb 0.00 -1.48 -0.04 0.00 -0.72 0.00 0.00 41.12 38.87 1j5i n ASP 87 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j5i n THR 89 N 3.57 0.00 -0.08 0.00 5.66 -1.26 -4.62 114.28 117.55 1j5i n THR 89 Ca 0.65 -0.38 -0.12 0.00 -3.05 0.00 0.00 64.05 61.15 1j5i n THR 89 Cb 0.29 0.13 -0.06 0.00 -1.55 0.00 0.00 70.33 69.14 1j5i n THR 89 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1j5i h THR 90 N 0.00 0.46 -3.55 1.09 1.03 -1.99 -3.46 112.91 106.50 1j5i h THR 90 Ca 0.00 -1.57 -0.62 0.00 -0.01 0.00 0.00 66.41 64.21 1j5i h THR 90 Cb 0.76 1.09 -0.12 0.00 -1.07 0.00 0.00 68.15 68.81 1j5i h THR 90 CO 0.00 0.16 0.07 0.00 -0.01 0.00 0.00 175.52 175.73 1j5i s ALA 91 N -2.54 3.58 0.04 0.00 0.00 -1.26 -5.01 121.76 116.57 1j5i s ALA 91 Ca -0.21 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 1j5i s ALA 91 Cb 0.04 -2.98 -0.09 0.00 0.00 0.00 0.00 23.12 20.09 1j5i s ALA 91 CO 0.39 -0.86 1.95 0.00 0.00 0.00 0.00 175.76 177.24 1j5i s ALA 92 N 2.43 3.60 -0.13 0.00 0.00 -1.26 -4.84 121.76 121.56 1j5i s ALA 92 Ca 0.23 1.32 -0.19 0.00 0.00 0.00 0.00 51.96 53.33 1j5i s ALA 92 Cb -0.15 -3.84 -0.04 0.00 0.00 0.00 0.00 23.12 19.09 1j5i s ALA 92 CO 0.10 -1.54 0.52 0.00 0.00 0.00 0.00 175.76 174.84 1j5i s GLN 94 N 0.89 3.09 -0.53 0.00 -0.21 -0.51 -1.91 119.66 120.48 1j5i s GLN 94 Ca 0.27 -0.80 -0.23 0.00 0.02 0.00 0.00 55.36 54.63 1j5i s GLN 94 Cb -0.15 -3.96 0.04 0.00 1.00 0.00 0.00 33.01 29.94 1j5i s GLN 94 CO 0.11 -0.82 0.83 0.08 -2.12 0.00 0.00 175.29 173.37 1j5i s VAL 95 N 2.04 4.56 0.28 1.09 1.01 0.11 -0.46 120.40 129.04 1j5i s VAL 95 Ca 0.11 0.07 -0.20 0.00 0.00 0.00 0.00 61.98 61.95 1j5i s VAL 95 Cb -0.17 -4.44 0.05 0.00 0.00 0.00 0.00 36.38 31.81 1j5i s VAL 95 CO 0.13 -0.98 0.83 -0.83 0.00 0.00 0.00 175.10 174.25 1j5i s GLY 96 N 2.72 0.07 -0.29 4.51 0.00 -0.74 0.02 107.32 113.60 1j5i s GLY 96 Ca 0.26 -0.38 -0.08 0.00 0.00 0.00 0.00 44.72 44.51 1j5i s GLY 96 CO 0.17 0.19 0.11 0.48 0.00 0.00 0.00 173.10 174.05 1j5i s LEU 97 N -3.04 3.84 0.73 0.66 2.34 -1.26 -0.57 118.68 121.38 1j5i s LEU 97 Ca 0.14 -0.48 -0.11 0.00 0.06 0.00 0.00 54.13 53.74 1j5i s LEU 97 Cb -0.04 -1.95 0.03 0.00 -0.56 0.00 0.00 46.19 43.67 1j5i s LEU 97 CO 0.07 -0.15 1.11 -0.94 -1.06 0.00 0.00 176.35 175.38 1j5i s SER 98 N 1.58 5.18 0.61 1.48 1.04 0.41 -4.75 113.70 119.27 1j5i s SER 98 Ca 0.05 1.00 -0.11 0.00 0.48 0.00 0.00 55.95 57.36 1j5i s SER 98 Cb -0.16 -1.72 -0.04 0.00 0.10 0.00 0.00 66.02 64.20 1j5i s SER 98 CO 0.04 -1.49 1.03 -1.81 0.98 0.00 0.00 173.24 171.99 1j5i s ASP 99 N -4.42 6.25 0.00 7.02 -0.00 -0.66 -1.88 116.67 122.98 1j5i s ASP 99 Ca 0.59 1.42 0.16 0.00 -0.00 0.00 0.00 52.55 54.73 1j5i s ASP 99 Cb -0.11 -2.47 0.86 0.00 -0.00 0.00 0.00 42.92 41.20 1j5i s ASP 99 CO 0.50 -0.85 1.57 0.00 -0.00 0.00 0.00 175.17 176.39 1j5i n ALA 100 N -2.69 2.57 -1.32 5.23 0.00 -1.26 -4.27 120.51 118.78 1j5i n ALA 100 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1j5i n ALA 100 Cb 0.54 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.50 0.00 -2.53 0.00 0.00 -1.26 -5.03 120.51 111.19 1j5i n ALA 101 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.56 1j5i n ALA 101 Cb 0.11 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.57 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 2.85 -0.67 3.24 0.00 0.00 -1.26 -5.15 105.19 104.19 1j5i n GLY 102 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.13 -0.30 -0.41 1.61 0.01 -1.26 -5.07 114.94 109.39 1j5i s ASN 103 Ca 0.01 0.49 0.06 0.00 -0.71 0.00 0.00 52.86 52.71 1j5i s ASN 103 Cb 0.05 0.57 0.22 0.00 0.41 0.00 0.00 41.25 42.50 1j5i s ASN 103 CO -0.01 -0.23 0.45 0.61 -1.51 0.00 0.00 177.10 176.41 1j5i n GLY 104 N 2.34 2.63 0.15 0.66 0.00 -1.26 -1.66 105.19 108.05 1j5i n GLY 104 Ca -0.16 -1.50 0.02 0.00 0.00 0.00 0.00 46.02 44.38 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 4.68 0.00 -6.58 1.61 0.13 -1.99 -3.44 132.00 126.40 1j5i h PRO 105 Ca 0.15 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.77 1j5i h PRO 105 Cb 0.89 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.99 1j5i h PRO 105 CO 0.44 0.52 0.16 -2.00 -0.23 0.00 0.00 178.00 176.88 1j5i s GLU 106 N -3.34 4.40 0.00 0.86 2.56 -1.26 -5.03 118.70 116.89 1j5i s GLU 106 Ca 0.01 1.02 0.00 0.00 0.00 0.00 0.00 54.97 56.00 1j5i s GLU 106 Cb 0.10 -3.01 0.00 0.00 2.00 0.00 0.00 34.13 33.22 1j5i s GLU 106 CO 0.73 0.45 0.00 0.41 -0.56 0.00 0.00 175.26 176.29 1j5i n GLY 107 N 1.03 0.67 3.78 -1.50 0.00 -1.26 -4.50 105.19 103.40 1j5i n GLY 107 Ca -0.03 0.61 -0.33 0.00 0.00 0.00 0.00 46.02 46.27 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 3.35 -0.57 1.61 0.11 0.10 -4.64 120.40 120.36 1j5i s VAL 108 Ca 0.00 0.60 -0.23 0.00 -2.93 0.00 0.00 61.98 59.42 1j5i s VAL 108 Cb 0.00 -3.13 0.05 0.00 -1.53 0.00 0.00 36.38 31.77 1j5i s VAL 108 CO 0.00 -0.41 0.92 0.00 -3.33 0.00 0.00 175.10 172.28 1j5i s ALA 109 N -2.42 3.17 -0.04 1.54 0.00 -1.26 -0.71 121.76 122.03 1j5i s ALA 109 Ca 0.66 -1.39 -0.30 0.00 0.00 0.00 0.00 51.96 50.93 1j5i s ALA 109 Cb -0.19 -3.73 -0.06 0.00 0.00 0.00 0.00 23.12 19.13 1j5i s ALA 109 CO 0.43 -2.43 1.71 -1.50 0.00 0.00 0.00 175.76 173.96 1j5i s ILE 110 N 3.88 3.49 -1.04 0.00 2.07 -0.80 -4.84 121.20 123.96 1j5i s ILE 110 Ca 0.28 0.59 -0.06 0.00 -1.41 0.00 0.00 60.65 60.04 1j5i s ILE 110 Cb -0.14 -3.38 -0.06 0.00 0.13 0.00 0.00 42.46 39.01 1j5i s ILE 110 CO 0.17 -0.05 2.26 -0.24 -1.91 0.00 0.00 174.94 175.17 1j5i n SER 111 N 7.21 5.62 -4.44 4.50 2.88 -0.46 -4.67 113.62 124.25 1j5i n SER 111 Ca 0.18 -2.36 -0.38 0.00 -1.33 0.00 0.00 58.87 54.97 1j5i n SER 111 Cb 0.42 -1.18 0.03 0.00 -0.75 0.00 0.00 64.21 62.74 1j5i n SER 111 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1j5i n PHE 112 N 4.09 -0.96 0.99 0.66 1.16 -1.24 0.39 117.46 122.55 1j5i n PHE 112 Ca 0.50 0.44 0.08 0.00 -1.87 0.00 0.00 57.45 56.61 1j5i n PHE 112 Cb 0.15 -1.92 0.47 0.00 -1.61 0.00 0.00 39.48 36.57 1j5i n PHE 112 CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18