#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k41 s THR 5 N 0.00 0.00 0.31 0.58 -1.32 -1.26 -4.80 115.64 109.15 3k41 s THR 5 Ca 0.00 -1.31 -0.29 0.00 -1.21 0.00 0.00 61.69 58.88 3k41 s THR 5 Cb 0.00 -2.58 -0.11 0.00 -1.51 0.00 0.00 72.50 68.30 3k41 s THR 5 CO 0.00 0.00 1.56 0.00 -2.21 0.00 0.00 174.62 173.97 3k41 s ASP 7 N 0.33 3.73 0.96 0.00 1.01 -0.43 -5.01 116.67 117.26 3k41 s ASP 7 Ca 0.60 -0.68 -0.15 0.00 0.71 0.00 0.00 52.55 53.03 3k41 s ASP 7 Cb -0.47 -1.58 0.21 0.00 1.01 0.00 0.00 42.92 42.08 3k41 s ASP 7 CO 0.52 -0.04 1.31 -0.76 0.21 0.00 0.00 175.17 176.41 3k41 s LEU 8 N 1.33 2.76 -0.03 1.23 1.43 -1.26 -1.34 118.68 122.80 3k41 s LEU 8 Ca 0.03 0.16 0.22 0.00 -1.03 0.00 0.00 54.13 53.51 3k41 s LEU 8 Cb -0.14 -2.17 -0.33 0.00 0.03 0.00 0.00 46.19 43.57 3k41 s LEU 8 CO -0.08 -2.74 0.53 1.33 0.23 0.00 0.00 176.35 175.61 3k41 n VAL 9 N -3.73 0.00 0.00 -1.59 0.24 -1.25 -4.82 118.33 107.17 3k41 n VAL 9 Ca 0.16 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 3k41 n VAL 9 Cb 0.59 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 3k41 n VAL 9 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3k41 n SER 16 N -2.16 0.00 -0.17 -1.34 2.88 -1.26 -5.16 113.62 106.41 3k41 n SER 16 Ca -0.03 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.42 3k41 n SER 16 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 3k41 n SER 16 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3k41 h GLU 17 N 0.00 0.76 -1.00 -1.46 4.39 -2.04 -2.06 114.58 113.17 3k41 h GLU 17 Ca 0.00 -0.18 0.04 0.00 0.34 0.00 0.00 59.36 59.56 3k41 h GLU 17 Cb 0.00 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.49 3k41 h GLU 17 CO 0.00 0.74 0.65 0.87 -1.16 0.00 0.00 179.01 180.12 3k41 h LYS 18 N 0.64 1.21 -0.48 2.33 1.57 -2.00 -1.28 116.57 118.57 3k41 h LYS 18 Ca 0.15 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 3k41 h LYS 18 Cb 0.32 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3k41 h LYS 18 CO 0.00 0.80 0.00 1.96 -0.57 0.00 0.00 179.45 181.64 3k41 h GLN 19 N 1.25 0.84 -0.65 3.15 4.20 -1.80 -1.46 115.11 120.64 3k41 h GLN 19 Ca 0.40 -0.27 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 3k41 h GLN 19 Cb 0.03 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 3k41 h GLN 19 CO -0.13 0.89 0.25 -0.07 -0.67 0.00 0.00 178.83 179.10 3k41 h LEU 20 N 0.70 0.87 -0.67 1.46 3.38 -0.88 -0.74 115.31 119.42 3k41 h LEU 20 Ca 0.14 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3k41 h LEU 20 Cb 0.51 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3k41 h LEU 20 CO 0.02 0.79 0.07 0.00 0.09 0.00 0.00 178.44 179.41 3k41 h ALA 21 N 1.34 0.89 -0.55 1.53 0.00 -1.01 -1.05 119.26 120.42 3k41 h ALA 21 Ca 0.22 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3k41 h ALA 21 Cb 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3k41 h ALA 21 CO -0.02 0.67 0.16 -0.07 0.00 0.00 0.00 179.25 179.99 3k41 h LEU 22 N 1.02 0.81 -0.51 0.00 3.38 -0.67 -0.76 115.31 118.58 3k41 h LEU 22 Ca 0.19 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3k41 h LEU 22 Cb 0.48 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3k41 h LEU 22 CO 0.02 0.81 0.34 -0.07 0.09 0.00 0.00 178.44 179.63 3k41 h LEU 23 N 0.77 0.58 -0.73 1.67 3.38 -0.87 -1.88 115.31 118.22 3k41 h LEU 23 Ca 0.18 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.20 3k41 h LEU 23 Cb 0.30 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 3k41 h LEU 23 CO -0.00 0.42 0.41 0.50 0.09 0.00 0.00 178.44 179.86 3k41 h LYS 24 N 0.69 0.72 0.00 1.13 1.63 -0.79 -0.78 116.57 119.16 3k41 h LYS 24 Ca 0.19 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 3k41 h LYS 24 Cb -0.08 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.39 3k41 h LYS 24 CO -0.04 0.47 -0.03 -0.09 -3.45 0.00 0.00 179.45 176.31 3k41 h ARG 25 N 0.74 0.00 -0.01 1.90 2.43 -0.35 -2.01 114.38 117.08 3k41 h ARG 25 Ca 0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 3k41 h ARG 25 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3k41 h ARG 25 CO -0.20 0.03 -0.21 1.28 -1.51 0.00 0.00 179.97 179.36 3k41 n LEU 26 N -3.91 1.21 -0.33 3.80 4.77 -0.32 -4.49 117.00 117.73 3k41 n LEU 26 Ca -0.03 -0.35 0.20 0.00 -0.03 0.00 0.00 56.01 55.81 3k41 n LEU 26 Cb 0.12 -0.09 0.40 0.00 -2.33 0.00 0.00 43.42 41.52 3k41 n LEU 26 CO 0.29 0.22 0.92 0.74 -1.33 0.00 0.00 177.39 178.23 3k41 h THR 27 N 1.57 0.07 0.00 -5.08 2.02 -1.13 0.24 112.91 110.61 3k41 h THR 27 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3k41 h THR 27 Cb 0.53 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3k41 h THR 27 CO 0.00 0.01 0.00 -0.81 0.37 0.00 0.00 175.52 175.09 3k41 n PRO 28 N -5.35 0.12 0.07 6.66 -0.04 -1.26 -1.66 135.00 133.54 3k41 n PRO 28 Ca 0.28 0.55 0.11 0.00 -0.04 0.00 0.00 63.50 64.40 3k41 n PRO 28 Cb 0.93 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 3k41 n PRO 28 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3k41 n LEU 29 N -2.08 0.70 -0.27 1.53 4.77 0.86 -4.39 117.00 118.12 3k41 n LEU 29 Ca -0.00 0.23 0.08 0.00 -0.03 0.00 0.00 56.01 56.29 3k41 n LEU 29 Cb 0.07 -0.07 0.22 0.00 -2.33 0.00 0.00 43.42 41.31 3k41 n LEU 29 CO 0.10 -0.12 0.93 -0.26 -1.33 0.00 0.00 177.39 176.71 3k41 h PHE 30 N 0.00 0.28 0.00 -1.77 -1.00 -1.35 -0.52 116.94 112.57 3k41 h PHE 30 Ca 0.00 0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.83 3k41 h PHE 30 Cb 0.93 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.49 3k41 h PHE 30 CO 0.00 -0.13 0.00 1.04 -1.61 0.00 0.00 178.31 177.61 3k41 n GLN 31 N -5.19 0.06 -2.45 1.51 1.13 -1.26 -4.60 117.38 106.58 3k41 n GLN 31 Ca 0.17 0.12 -0.25 0.00 -1.94 0.00 0.00 57.00 55.10 3k41 n GLN 31 Cb 0.54 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.43 3k41 n GLN 31 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3k41 s LYS 32 N -2.92 2.67 -0.04 -1.09 1.02 -0.21 -5.10 119.74 114.09 3k41 s LYS 32 Ca 0.12 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.86 3k41 s LYS 32 Cb 0.14 -2.31 0.03 0.00 -0.52 0.00 0.00 37.83 35.17 3k41 s LYS 32 CO 0.38 -0.80 0.00 0.45 -0.92 0.00 0.00 175.35 174.46 3k41 s SER 33 N -4.37 0.63 -0.12 2.83 0.15 -1.26 -4.62 113.70 106.93 3k41 s SER 33 Ca 0.55 -0.03 -0.00 0.00 0.70 0.00 0.00 55.95 57.18 3k41 s SER 33 Cb -0.10 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 63.94 3k41 s SER 33 CO 0.43 -0.12 -0.12 -0.36 1.20 0.00 0.00 173.24 174.27 3k41 s PHE 34 N 1.22 2.82 0.08 3.44 0.08 -0.02 -4.98 117.98 120.63 3k41 s PHE 34 Ca -0.07 -0.52 0.07 0.00 0.12 0.00 0.00 56.93 56.53 3k41 s PHE 34 Cb -0.13 -1.82 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 3k41 s PHE 34 CO -0.02 -0.12 -0.18 -2.00 -0.10 0.00 0.00 175.22 172.79 3k41 s GLU 35 N 0.17 1.06 -0.30 0.44 2.56 -1.26 -0.09 118.70 121.27 3k41 s GLU 35 Ca -0.06 -1.04 -0.08 0.00 0.00 0.00 0.00 54.97 53.78 3k41 s GLU 35 Cb -0.15 -1.21 0.15 0.00 2.00 0.00 0.00 34.13 34.92 3k41 s GLU 35 CO 0.05 0.29 0.67 0.45 -0.56 0.00 0.00 175.26 176.15 3k41 s SER 36 N -1.71 -1.16 -0.06 -1.70 0.15 -0.31 -4.86 113.70 104.06 3k41 s SER 36 Ca 0.04 1.33 -0.15 0.00 0.70 0.00 0.00 55.95 57.88 3k41 s SER 36 Cb -0.10 2.22 -0.05 0.00 -1.71 0.00 0.00 66.02 66.38 3k41 s SER 36 CO 0.03 -0.22 0.38 -0.89 1.20 0.00 0.00 173.24 173.74 3k41 s THR 37 N 2.86 5.14 0.23 6.45 2.01 -1.26 -0.62 115.64 130.45 3k41 s THR 37 Ca 0.01 0.76 -0.10 0.00 0.31 0.00 0.00 61.69 62.67 3k41 s THR 37 Cb -0.12 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.68 3k41 s THR 37 CO -0.19 0.50 0.39 0.68 -0.69 0.00 0.00 174.62 175.31 3k41 s VAL 38 N -0.50 0.01 0.00 3.82 -7.23 0.11 -4.99 120.40 111.62 3k41 s VAL 38 Ca 0.22 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 3k41 s VAL 38 Cb -0.15 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.59 3k41 s VAL 38 CO 0.10 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.46 3k41 n GLY 39 N -0.34 -1.32 3.13 2.32 0.00 -1.26 -0.27 105.19 107.45 3k41 n GLY 39 Ca -0.02 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 3k41 n GLY 39 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k41 s GLN 40 N -1.68 2.70 0.61 1.61 -1.52 -1.25 -4.55 119.66 115.58 3k41 s GLN 40 Ca 0.00 -0.74 -0.18 0.00 -1.95 0.00 0.00 55.36 52.49 3k41 s GLN 40 Cb 0.00 -2.20 -0.07 0.00 -0.22 0.00 0.00 33.01 30.52 3k41 s GLN 40 CO 0.00 -0.01 0.61 0.43 -0.25 0.00 0.00 175.29 176.07 3k41 n SER 41 N 4.06 -0.74 -0.27 5.90 7.64 -1.26 -0.70 113.62 128.25 3k41 n SER 41 Ca -0.20 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.40 3k41 n SER 41 Cb 0.52 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 3k41 n SER 41 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3k41 n PRO 42 N -0.39 0.62 -0.78 1.43 -0.04 -1.26 -4.78 135.00 129.80 3k41 n PRO 42 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 3k41 n PRO 42 Cb 0.48 -1.17 0.19 0.00 -0.04 0.00 0.00 33.50 32.96 3k41 n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3k41 n ASP 43 N -0.13 2.24 -4.65 3.54 8.00 0.12 -4.95 116.55 120.72 3k41 n ASP 43 Ca 0.00 -3.86 -0.41 0.00 0.71 0.00 0.00 54.79 51.22 3k41 n ASP 43 Cb 0.08 -0.55 -0.05 0.00 -0.02 0.00 0.00 41.12 40.58 3k41 n ASP 43 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3k41 s MET 44 N -3.28 4.19 0.11 -1.24 1.75 -1.21 -3.80 119.30 115.82 3k41 s MET 44 Ca 0.41 0.89 0.10 0.00 -1.25 0.00 0.00 55.69 55.84 3k41 s MET 44 Cb 0.39 -3.63 -0.04 0.00 2.84 0.00 0.00 34.83 34.39 3k41 s MET 44 CO -0.04 -0.46 -0.25 0.71 -0.65 0.00 0.00 175.02 174.32 3k41 s TYR 45 N 2.65 2.18 -0.18 4.11 2.02 0.63 -1.80 117.35 126.96 3k41 s TYR 45 Ca 0.34 -0.39 -0.01 0.00 -0.37 0.00 0.00 57.07 56.64 3k41 s TYR 45 Cb -0.15 -1.21 0.00 0.00 -0.40 0.00 0.00 41.96 40.20 3k41 s TYR 45 CO 0.08 0.26 -0.14 0.45 -1.57 0.00 0.00 175.55 174.64 3k41 s SER 46 N -1.84 3.63 -0.17 2.29 0.15 0.84 0.07 113.70 118.66 3k41 s SER 46 Ca 0.12 -0.52 -0.07 0.00 0.70 0.00 0.00 55.95 56.18 3k41 s SER 46 Cb -0.10 -1.58 -0.04 0.00 -1.71 0.00 0.00 66.02 62.59 3k41 s SER 46 CO 0.05 0.02 0.05 -0.31 1.20 0.00 0.00 173.24 174.25 3k41 s TYR 47 N 1.18 3.24 -0.17 3.44 1.51 0.21 0.66 117.35 127.42 3k41 s TYR 47 Ca 0.02 0.07 -0.01 0.00 -1.01 0.00 0.00 57.07 56.14 3k41 s TYR 47 Cb -0.14 -2.05 -0.00 0.00 -0.11 0.00 0.00 41.96 39.66 3k41 s TYR 47 CO -0.06 0.18 -0.13 0.08 -1.11 0.00 0.00 175.55 174.51 3k41 s VAL 48 N 0.24 2.78 -0.03 0.71 1.01 -0.63 -1.16 120.40 123.31 3k41 s VAL 48 Ca 0.03 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.34 3k41 s VAL 48 Cb -0.12 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 3k41 s VAL 48 CO 0.01 0.50 -0.18 0.12 0.00 0.00 0.00 175.10 175.55 3k41 s PHE 49 N 1.01 1.69 0.05 5.22 5.36 0.87 -1.33 117.98 130.84 3k41 s PHE 49 Ca -0.01 -0.43 0.02 0.00 -0.96 0.00 0.00 56.93 55.54 3k41 s PHE 49 Cb -0.15 -1.12 -0.03 0.00 -0.34 0.00 0.00 43.02 41.38 3k41 s PHE 49 CO -0.02 -0.12 -0.06 1.03 -1.46 0.00 0.00 175.22 174.58 3k41 s ARG 50 N -0.11 0.55 -0.42 10.12 0.52 -0.62 -0.84 118.95 128.15 3k41 s ARG 50 Ca -0.00 -0.86 -0.16 0.00 -0.52 0.00 0.00 55.73 54.18 3k41 s ARG 50 Cb -0.10 -0.18 0.02 0.00 0.52 0.00 0.00 34.95 35.22 3k41 s ARG 50 CO 0.01 0.01 0.39 0.08 0.02 0.00 0.00 175.30 175.81 3k41 s VAL 51 N -1.96 5.16 -1.98 3.52 1.01 -1.26 -4.48 120.40 120.41 3k41 s VAL 51 Ca -0.06 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.43 3k41 s VAL 51 Cb -0.06 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.31 3k41 s VAL 51 CO -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 175.10 174.70 3k41 s ARG 53 N -3.76 0.52 -0.14 0.00 1.81 -1.26 -4.08 118.95 112.04 3k41 s ARG 53 Ca 0.00 -0.95 -0.33 0.00 -1.72 0.00 0.00 55.73 52.73 3k41 s ARG 53 Cb 0.00 0.04 -0.11 0.00 -0.45 0.00 0.00 34.95 34.43 3k41 s ARG 53 CO 0.00 -0.05 1.98 -1.91 -0.68 0.00 0.00 175.30 174.64 3k41 n GLU 54 N 0.83 2.04 0.01 3.54 4.07 -1.26 -4.54 120.64 125.33 3k41 n GLU 54 Ca -0.19 0.71 0.11 0.00 -0.06 0.00 0.00 57.16 57.73 3k41 n GLU 54 Cb 0.58 -2.73 -0.12 0.00 -0.06 0.00 0.00 31.44 29.11 3k41 n GLU 54 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3k41 n ALA 55 N 7.90 3.26 -2.63 4.31 0.00 0.20 -4.99 120.51 128.57 3k41 n ALA 55 Ca 0.26 -0.50 -0.16 0.00 0.00 0.00 0.00 53.44 53.04 3k41 n ALA 55 Cb 0.32 -0.81 0.07 0.00 0.00 0.00 0.00 19.45 19.03 3k41 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k41 n GLY 56 N 1.32 1.00 0.49 0.00 0.00 -1.26 -4.81 105.19 101.93 3k41 n GLY 56 Ca -0.01 -2.05 0.07 0.00 0.00 0.00 0.00 46.02 44.02 3k41 n GLY 56 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k41 n GLN 57 N -2.19 1.25 -0.46 1.61 1.13 -1.26 -4.59 117.38 112.87 3k41 n GLN 57 Ca 0.12 -1.16 0.08 0.00 -1.94 0.00 0.00 57.00 54.10 3k41 n GLN 57 Cb 0.41 -1.25 0.27 0.00 0.11 0.00 0.00 30.24 29.78 3k41 n GLN 57 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3k41 n HIS 58 N 0.50 1.00 -2.49 1.08 8.25 -1.26 -4.97 115.22 117.33 3k41 n HIS 58 Ca 0.07 -0.85 -0.12 0.00 -0.26 0.00 0.00 57.72 56.57 3k41 n HIS 58 Cb 0.33 -0.31 -0.01 0.00 1.12 0.00 0.00 29.99 31.13 3k41 n HIS 58 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3k41 n SER 59 N -0.37 -3.72 -0.31 0.41 7.64 -1.26 -4.83 113.62 111.18 3k41 n SER 59 Ca 0.21 0.18 0.14 0.00 1.01 0.00 0.00 58.87 60.42 3k41 n SER 59 Cb 0.89 -3.16 0.64 0.00 -1.01 0.00 0.00 64.21 61.56 3k41 n SER 59 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3k41 n SER 60 N -1.81 1.00 0.00 6.43 2.88 -1.26 -4.92 113.62 115.94 3k41 n SER 60 Ca -0.13 -1.26 0.00 0.00 -1.33 0.00 0.00 58.87 56.15 3k41 n SER 60 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 3k41 n SER 60 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3k41 n GLY 61 N 1.15 0.52 3.72 0.46 0.00 -1.26 -5.01 105.19 104.77 3k41 n GLY 61 Ca 0.20 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 3k41 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k41 s ALA 62 N -2.00 3.43 -0.06 4.61 0.00 -1.26 -2.34 121.76 124.15 3k41 s ALA 62 Ca 0.00 0.92 0.22 0.00 0.00 0.00 0.00 51.96 53.10 3k41 s ALA 62 Cb 0.00 -3.44 -0.30 0.00 0.00 0.00 0.00 23.12 19.38 3k41 s ALA 62 CO 0.00 -0.42 0.52 0.41 0.00 0.00 0.00 175.76 176.27 3k41 n GLY 63 N 2.78 -1.04 3.40 0.00 0.00 0.50 0.58 105.19 111.40 3k41 n GLY 63 Ca 0.07 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 3k41 n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k41 s LEU 64 N -4.64 -0.49 0.13 0.99 0.20 -1.12 -1.58 118.68 112.17 3k41 s LEU 64 Ca -0.07 1.13 0.08 0.00 0.69 0.00 0.00 54.13 55.95 3k41 s LEU 64 Cb 0.13 1.71 -0.04 0.00 -0.43 0.00 0.00 46.19 47.56 3k41 s LEU 64 CO 0.90 -0.21 -0.18 0.68 -0.29 0.00 0.00 176.35 177.24 3k41 s VAL 65 N 1.74 1.66 -0.19 1.68 -7.23 -0.44 -0.23 120.40 117.39 3k41 s VAL 65 Ca -0.08 -1.73 -0.02 0.00 -1.81 0.00 0.00 61.98 58.34 3k41 s VAL 65 Cb -0.08 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.20 3k41 s VAL 65 CO -0.15 -0.24 -0.09 -1.58 -0.31 0.00 0.00 175.10 172.73 3k41 s GLN 66 N -2.43 3.32 -0.23 4.82 0.74 0.17 -1.61 119.66 124.44 3k41 s GLN 66 Ca 0.11 -0.67 -0.07 0.00 0.05 0.00 0.00 55.36 54.78 3k41 s GLN 66 Cb -0.07 -2.85 -0.03 0.00 1.10 0.00 0.00 33.01 31.16 3k41 s GLN 66 CO 0.05 -0.10 0.05 0.42 -0.55 0.00 0.00 175.29 175.16 3k41 s ILE 67 N 1.18 4.27 -0.36 -2.34 1.01 0.21 -0.85 121.20 124.32 3k41 s ILE 67 Ca 0.02 -0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 3k41 s ILE 67 Cb -0.14 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.36 3k41 s ILE 67 CO -0.03 0.38 1.39 -1.58 0.00 0.00 0.00 174.94 175.10 3k41 s GLN 68 N 1.28 3.70 0.55 2.79 2.00 -0.37 -0.11 119.66 129.50 3k41 s GLN 68 Ca 0.04 1.08 0.29 0.00 -2.00 0.00 0.00 55.36 54.77 3k41 s GLN 68 Cb -0.15 -3.98 1.62 0.00 0.80 0.00 0.00 33.01 31.30 3k41 s GLN 68 CO 0.03 -1.41 2.15 0.87 -0.50 0.00 0.00 175.29 176.43 3k41 h LYS 69 N 10.24 0.00 -0.42 1.67 1.57 -1.69 0.26 116.57 128.21 3k41 h LYS 69 Ca -0.27 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.39 3k41 h LYS 69 Cb 1.11 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 3k41 h LYS 69 CO 1.06 0.07 -0.19 0.66 -0.57 0.00 0.00 179.45 180.48 3k41 h SER 70 N 0.00 0.82 0.00 0.86 4.64 -1.90 -3.36 113.55 114.60 3k41 h SER 70 Ca -0.00 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3k41 h SER 70 Cb 0.21 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3k41 h SER 70 CO 0.01 1.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.51 3k41 n ASN 71 N -4.12 0.62 -0.10 4.97 2.04 -1.14 -5.02 115.26 112.51 3k41 n ASN 71 Ca 0.00 -1.19 -0.01 0.00 -0.44 0.00 0.00 54.58 52.94 3k41 n ASN 71 Cb 0.42 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.66 3k41 n ASN 71 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3k41 n GLY 72 N -0.09 0.44 3.73 4.83 0.00 0.90 -4.99 105.19 110.02 3k41 n GLY 72 Ca 0.00 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3k41 n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k41 s LYS 73 N -1.03 4.28 -0.17 1.61 2.20 -1.22 -4.76 119.74 120.64 3k41 s LYS 73 Ca 0.00 2.26 -0.07 0.00 -0.36 0.00 0.00 55.97 57.80 3k41 s LYS 73 Cb 0.00 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.13 3k41 s LYS 73 CO 0.00 -0.44 0.06 -2.00 -0.36 0.00 0.00 175.35 172.61 3k41 s GLU 74 N 0.16 3.88 -0.10 4.03 2.12 -1.26 -1.23 118.70 126.29 3k41 s GLU 74 Ca 0.62 -0.34 0.02 0.00 0.36 0.00 0.00 54.97 55.63 3k41 s GLU 74 Cb -0.41 -3.17 0.01 0.00 0.26 0.00 0.00 34.13 30.82 3k41 s GLU 74 CO 0.38 0.33 -0.16 0.99 -0.54 0.00 0.00 175.26 176.26 3k41 s THR 75 N 0.21 1.54 -0.13 -1.70 2.01 -0.03 -4.98 115.64 112.56 3k41 s THR 75 Ca 0.04 -0.69 -0.29 0.00 0.31 0.00 0.00 61.69 61.07 3k41 s THR 75 Cb -0.12 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 70.99 3k41 s THR 75 CO 0.00 0.45 0.98 -0.69 -0.69 0.00 0.00 174.62 174.68 3k41 s VAL 76 N 0.80 4.79 -0.06 3.82 1.01 -1.26 0.42 120.40 129.92 3k41 s VAL 76 Ca -0.10 1.98 0.03 0.00 0.00 0.00 0.00 61.98 63.88 3k41 s VAL 76 Cb -0.16 -4.29 -0.25 0.00 0.00 0.00 0.00 36.38 31.69 3k41 s VAL 76 CO 0.01 -0.02 0.61 0.58 0.00 0.00 0.00 175.10 176.29 3k41 h VAL 77 N 5.16 0.84 -1.98 2.92 2.07 -0.95 0.12 116.25 124.44 3k41 h VAL 77 Ca -0.29 -2.61 -0.02 0.00 0.82 0.00 0.00 66.70 64.60 3k41 h VAL 77 Cb 1.13 2.52 -0.19 0.00 -1.52 0.00 0.00 31.29 33.23 3k41 h VAL 77 CO 0.87 0.70 0.29 -0.83 0.02 0.00 0.00 177.57 178.61 3k41 s GLY 78 N -5.24 -0.51 -0.10 2.17 0.00 -1.13 -2.00 107.32 100.52 3k41 s GLY 78 Ca -0.11 1.41 0.01 0.00 0.00 0.00 0.00 44.72 46.03 3k41 s GLY 78 CO 0.81 0.90 -0.12 0.50 0.00 0.00 0.00 173.10 175.19 3k41 s ARG 79 N -1.42 3.06 0.00 2.90 0.52 -0.19 -0.37 118.95 123.45 3k41 s ARG 79 Ca -0.07 -0.66 0.12 0.00 -0.52 0.00 0.00 55.73 54.59 3k41 s ARG 79 Cb -0.00 -2.57 0.71 0.00 0.52 0.00 0.00 34.95 33.61 3k41 s ARG 79 CO 0.06 0.39 1.14 1.97 0.02 0.00 0.00 175.30 178.89 3k41 n PHE 80 N 3.00 0.00 0.21 -0.53 1.16 -0.99 -1.23 117.46 119.08 3k41 n PHE 80 Ca -0.18 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.47 3k41 n PHE 80 Cb 0.53 0.00 0.44 0.00 -1.61 0.00 0.00 39.48 38.84 3k41 n PHE 80 CO 0.00 0.00 0.00 -0.97 -1.87 0.00 0.00 176.76 173.92 3k41 h ASN 81 N 0.00 0.00 -2.83 5.98 -1.24 -1.85 -1.13 115.58 114.51 3k41 h ASN 81 Ca 0.00 0.00 -0.60 0.00 0.71 0.00 0.00 56.30 56.41 3k41 h ASN 81 Cb 0.00 0.00 -0.40 0.00 0.73 0.00 0.00 38.32 38.65 3k41 h ASN 81 CO 0.00 0.31 -0.78 -1.61 -1.29 0.00 0.00 177.43 174.06 3k41 s GLU 82 N -3.94 1.55 0.01 6.67 2.02 -0.36 -4.32 118.70 120.32 3k41 s GLU 82 Ca -0.02 -2.55 0.01 0.00 0.02 0.00 0.00 54.97 52.44 3k41 s GLU 82 Cb 0.13 -2.32 -0.04 0.00 0.10 0.00 0.00 34.13 32.00 3k41 s GLU 82 CO 0.67 -1.31 0.01 0.99 0.02 0.00 0.00 175.26 175.65 3k41 s THR 83 N -0.45 4.24 0.01 3.63 2.01 -0.45 -1.38 115.64 123.25 3k41 s THR 83 Ca 0.27 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.69 3k41 s THR 83 Cb -0.04 -2.91 -0.01 0.00 0.01 0.00 0.00 72.50 69.54 3k41 s THR 83 CO -0.15 0.35 -0.08 -1.10 -0.69 0.00 0.00 174.62 172.95 3k41 s GLN 84 N -1.65 0.61 -0.09 4.92 -0.21 -0.50 -3.86 119.66 118.88 3k41 s GLN 84 Ca 0.21 -0.42 -0.07 0.00 0.02 0.00 0.00 55.36 55.10 3k41 s GLN 84 Cb -0.12 -0.55 0.03 0.00 1.00 0.00 0.00 33.01 33.37 3k41 s GLN 84 CO 0.12 0.14 0.23 -1.50 -2.12 0.00 0.00 175.29 172.16 3k41 s ILE 85 N -0.50 -0.01 0.05 1.08 2.07 -1.26 -0.35 121.20 122.27 3k41 s ILE 85 Ca 0.00 0.05 0.04 0.00 -1.41 0.00 0.00 60.65 59.33 3k41 s ILE 85 Cb -0.05 -0.34 -0.02 0.00 0.13 0.00 0.00 42.46 42.18 3k41 s ILE 85 CO 0.00 0.02 -0.11 -0.36 -1.91 0.00 0.00 174.94 172.58 3k41 s PHE 86 N 0.51 0.93 -0.22 3.50 0.08 -0.22 -4.81 117.98 117.75 3k41 s PHE 86 Ca -0.03 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.60 3k41 s PHE 86 Cb -0.05 -0.54 0.03 0.00 -0.57 0.00 0.00 43.02 41.89 3k41 s PHE 86 CO -0.03 -0.01 -0.13 -1.14 -0.10 0.00 0.00 175.22 173.81 3k41 s GLN 87 N -1.42 2.80 0.33 0.44 0.74 -1.26 -0.47 119.66 120.82 3k41 s GLN 87 Ca -0.04 -0.98 -0.00 0.00 0.05 0.00 0.00 55.36 54.39 3k41 s GLN 87 Cb -0.09 -2.79 0.07 0.00 1.10 0.00 0.00 33.01 31.30 3k41 s GLN 87 CO 0.01 -0.35 0.45 0.41 -0.55 0.00 0.00 175.29 175.26 3k41 n GLY 88 N 4.60 0.73 0.13 2.59 0.00 0.89 -5.00 105.19 109.13 3k41 n GLY 88 Ca -0.18 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 43.76 3k41 n GLY 88 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k41 h SER 89 N -0.27 0.31 0.00 1.61 0.02 -1.99 -3.33 113.55 109.90 3k41 h SER 89 Ca -0.15 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.69 3k41 h SER 89 Cb 0.55 -0.08 -0.21 0.00 0.14 0.00 0.00 62.40 62.81 3k41 h SER 89 CO 0.16 0.23 -0.77 0.59 -1.14 0.00 0.00 176.83 175.90 3k41 n ASN 90 N -4.90 1.29 -3.59 3.07 3.02 -1.26 -3.54 115.26 109.35 3k41 n ASN 90 Ca -0.02 -2.80 -0.12 0.00 -0.03 0.00 0.00 54.58 51.61 3k41 n ASN 90 Cb 0.03 -0.39 -0.05 0.00 -0.61 0.00 0.00 39.78 38.76 3k41 n ASN 90 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 3k41 s TRP 91 N -1.39 -0.32 -0.06 3.10 1.48 -1.21 -1.19 118.94 119.34 3k41 s TRP 91 Ca 0.34 0.15 0.03 0.00 -1.06 0.00 0.00 56.10 55.56 3k41 s TRP 91 Cb 0.36 0.32 0.01 0.00 -1.16 0.00 0.00 33.47 33.00 3k41 s TRP 91 CO -0.12 -0.69 -0.15 0.42 -4.06 0.00 0.00 176.95 172.36 3k41 s ILE 92 N -3.27 1.30 -0.26 0.66 1.01 0.78 -0.08 121.20 121.34 3k41 s ILE 92 Ca -0.01 -0.60 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 3k41 s ILE 92 Cb 0.00 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 3k41 s ILE 92 CO -0.08 0.39 0.10 -0.32 0.00 0.00 0.00 174.94 175.03 3k41 s MET 93 N 0.43 3.73 -0.16 2.79 -2.45 0.38 -0.17 119.30 123.86 3k41 s MET 93 Ca -0.12 -0.44 -0.02 0.00 -1.25 0.00 0.00 55.69 53.86 3k41 s MET 93 Cb -0.14 -3.42 -0.02 0.00 1.25 0.00 0.00 34.83 32.50 3k41 s MET 93 CO 0.04 -0.19 -0.07 -1.17 1.05 0.00 0.00 175.02 174.67 3k41 s LEU 94 N 1.65 2.99 -0.07 4.11 2.96 -0.32 -1.05 118.68 128.94 3k41 s LEU 94 Ca 0.07 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 3k41 s LEU 94 Cb -0.15 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 44.83 3k41 s LEU 94 CO 0.06 0.14 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.38 3k41 s ILE 95 N 0.54 1.78 -0.20 6.68 1.01 0.52 -0.13 121.20 131.41 3k41 s ILE 95 Ca -0.05 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.73 3k41 s ILE 95 Cb -0.15 -1.54 0.03 0.00 0.01 0.00 0.00 42.46 40.81 3k41 s ILE 95 CO 0.03 0.50 -0.18 -0.31 0.00 0.00 0.00 174.94 174.98 3k41 s TYR 96 N 0.22 2.87 0.40 3.97 2.02 -0.22 -1.41 117.35 125.19 3k41 s TYR 96 Ca -0.12 -1.79 0.05 0.00 -0.37 0.00 0.00 57.07 54.85 3k41 s TYR 96 Cb -0.15 -1.91 0.05 0.00 -0.40 0.00 0.00 41.96 39.55 3k41 s TYR 96 CO 0.06 -0.82 0.45 1.63 -1.57 0.00 0.00 175.55 175.30 3k41 n LYS 97 N 4.58 0.80 -0.97 -0.62 5.02 -0.48 -0.38 118.16 126.12 3k41 n LYS 97 Ca -0.19 -2.26 0.00 0.00 -2.02 0.00 0.00 58.31 53.83 3k41 n LYS 97 Cb 0.48 -0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 3k41 n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k41 n GLY 98 N 0.19 0.40 3.27 0.72 0.00 -1.23 -1.02 105.19 107.53 3k41 n GLY 98 Ca 0.06 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 3k41 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k41 n GLY 99 N -2.97 -2.20 3.76 -0.02 0.00 -0.35 -4.32 105.19 99.09 3k41 n GLY 99 Ca 0.00 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 3k41 n GLY 99 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k41 s ASP 100 N -4.67 5.65 0.39 1.61 1.01 0.03 -3.36 116.67 117.34 3k41 s ASP 100 Ca 0.65 2.61 -0.25 0.00 0.71 0.00 0.00 52.55 56.28 3k41 s ASP 100 Cb -0.04 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.17 3k41 s ASP 100 CO 0.48 -1.30 1.08 -1.61 0.21 0.00 0.00 175.17 174.03 3k41 s GLU 101 N -2.78 4.17 0.56 8.23 2.02 -1.26 -1.28 118.70 128.37 3k41 s GLU 101 Ca 0.68 1.60 -0.17 0.00 0.02 0.00 0.00 54.97 57.09 3k41 s GLU 101 Cb -0.36 -2.61 -0.05 0.00 0.10 0.00 0.00 34.13 31.20 3k41 s GLU 101 CO 0.44 -0.16 1.07 0.71 0.02 0.00 0.00 175.26 177.34 3k41 s TYR 102 N -1.57 2.92 -0.12 1.61 2.02 -0.77 -4.91 117.35 116.54 3k41 s TYR 102 Ca 0.57 1.54 0.17 0.00 -0.37 0.00 0.00 57.07 58.97 3k41 s TYR 102 Cb -0.25 -3.07 -0.20 0.00 -0.40 0.00 0.00 41.96 38.05 3k41 s TYR 102 CO 0.31 -1.15 0.60 -0.25 -1.57 0.00 0.00 175.55 173.49 3k41 n ASP 103 N -1.68 0.60 0.00 2.29 8.00 -1.26 -4.34 116.55 120.15 3k41 n ASP 103 Ca 0.09 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.86 3k41 n ASP 103 Cb 0.52 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 3k41 n ASP 103 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3k41 n ASN 104 N -2.83 1.56 -4.84 -2.24 3.02 -1.26 -4.84 115.26 103.83 3k41 n ASN 104 Ca -0.15 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.10 3k41 n ASN 104 Cb 0.92 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 40.17 3k41 n ASN 104 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3k41 s HIS 105 N -1.45 3.00 -1.72 3.10 3.76 -1.26 -4.37 115.29 116.35 3k41 s HIS 105 Ca 0.00 1.06 -0.18 0.00 -0.15 0.00 0.00 55.06 55.79 3k41 s HIS 105 Cb 0.00 -3.15 0.16 0.00 1.11 0.00 0.00 32.58 30.70 3k41 s HIS 105 CO 0.00 -1.60 0.72 0.00 -0.85 0.00 0.00 174.74 173.01 3k41 n GLY 107 N -1.39 0.38 2.46 0.00 0.00 -1.20 -1.94 105.19 103.50 3k41 n GLY 107 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 3k41 n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k41 n ARG 108 N -2.64 -1.62 -1.52 1.61 1.74 -0.14 -4.98 116.66 109.12 3k41 n ARG 108 Ca -0.20 1.08 -0.29 0.00 -0.77 0.00 0.00 57.85 57.67 3k41 n ARG 108 Cb 0.63 -5.67 0.14 0.00 -1.02 0.00 0.00 32.46 26.54 3k41 n ARG 108 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3k41 s GLU 109 N -4.69 1.01 0.33 5.56 -1.05 -0.82 -4.15 118.70 114.89 3k41 s GLU 109 Ca 0.00 0.26 -0.28 0.00 -0.15 0.00 0.00 54.97 54.81 3k41 s GLU 109 Cb 0.00 -1.83 -0.09 0.00 -0.44 0.00 0.00 34.13 31.77 3k41 s GLU 109 CO 0.00 -2.28 1.15 -0.65 0.95 0.00 0.00 175.26 174.42 3k41 s GLN 110 N -5.29 4.39 0.93 -4.83 -0.21 -1.26 -1.85 119.66 111.55 3k41 s GLN 110 Ca 0.64 1.85 -0.11 0.00 0.02 0.00 0.00 55.36 57.76 3k41 s GLN 110 Cb -0.14 -2.97 0.15 0.00 1.00 0.00 0.00 33.01 31.05 3k41 s GLN 110 CO 0.54 -0.03 1.09 1.03 -2.12 0.00 0.00 175.29 175.80 3k41 s ARG 111 N -1.84 0.96 -0.02 2.91 0.52 -0.40 -4.69 118.95 116.39 3k41 s ARG 111 Ca 0.50 1.00 -0.12 0.00 -0.52 0.00 0.00 55.73 56.59 3k41 s ARG 111 Cb -0.32 -1.76 0.02 0.00 0.52 0.00 0.00 34.95 33.41 3k41 s ARG 111 CO 0.41 -2.50 0.26 0.50 0.02 0.00 0.00 175.30 173.99 3k41 s ARG 112 N -4.80 0.58 -0.07 3.54 3.52 -0.85 -1.21 118.95 119.66 3k41 s ARG 112 Ca 0.65 -0.19 0.05 0.00 -0.13 0.00 0.00 55.73 56.11 3k41 s ARG 112 Cb -0.20 0.25 -0.01 0.00 -1.56 0.00 0.00 34.95 33.44 3k41 s ARG 112 CO 0.58 -0.15 -0.24 0.00 -0.81 0.00 0.00 175.30 174.68 3k41 s ALA 113 N -1.18 2.18 -0.19 6.12 0.00 0.49 -1.22 121.76 127.97 3k41 s ALA 113 Ca -0.12 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.82 3k41 s ALA 113 Cb -0.06 -0.72 0.03 0.00 0.00 0.00 0.00 23.12 22.38 3k41 s ALA 113 CO 0.03 0.38 -0.14 0.08 0.00 0.00 0.00 175.76 176.12 3k41 s VAL 114 N -0.04 1.76 -0.22 0.00 1.01 0.10 -1.05 120.40 121.96 3k41 s VAL 114 Ca -0.07 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 3k41 s VAL 114 Cb -0.15 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.51 3k41 s VAL 114 CO 0.05 0.32 -0.09 -0.69 0.00 0.00 0.00 175.10 174.68 3k41 s VAL 115 N 1.37 2.82 -0.47 2.92 1.01 0.82 -0.58 120.40 128.29 3k41 s VAL 115 Ca 0.01 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 3k41 s VAL 115 Cb -0.15 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 33.95 3k41 s VAL 115 CO -0.10 0.37 0.72 -0.04 0.00 0.00 0.00 175.10 176.06 3k41 s MET 116 N 1.37 3.29 -0.49 2.72 -1.94 -0.24 -1.18 119.30 122.83 3k41 s MET 116 Ca 0.03 -0.39 -0.17 0.00 -1.71 0.00 0.00 55.69 53.46 3k41 s MET 116 Cb -0.15 -3.99 0.07 0.00 2.01 0.00 0.00 34.83 32.77 3k41 s MET 116 CO -0.06 -1.15 0.49 0.42 -0.01 0.00 0.00 175.02 174.70 3k41 s ILE 117 N 3.08 5.09 0.19 2.53 1.01 0.77 -2.10 121.20 131.77 3k41 s ILE 117 Ca 0.24 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.99 3k41 s ILE 117 Cb -0.14 -4.20 -0.06 0.00 0.01 0.00 0.00 42.46 38.07 3k41 s ILE 117 CO 0.19 -0.67 0.47 -0.44 0.00 0.00 0.00 174.94 174.48 3k41 s SER 118 N 2.64 6.55 0.31 3.58 0.01 -0.29 -0.16 113.70 126.34 3k41 s SER 118 Ca 0.09 0.75 -0.29 0.00 1.31 0.00 0.00 55.95 57.80 3k41 s SER 118 Cb -0.22 -2.16 -0.11 0.00 0.21 0.00 0.00 66.02 63.75 3k41 s SER 118 CO 0.09 -0.02 1.43 0.00 0.41 0.00 0.00 173.24 175.15 3k41 s ASN 120 N 0.02 -0.83 0.54 0.00 3.84 -1.10 -4.76 114.94 112.64 3k41 s ASN 120 Ca 0.55 0.41 0.29 0.00 0.21 0.00 0.00 52.86 54.32 3k41 s ASN 120 Cb -0.43 1.76 1.57 0.00 -0.55 0.00 0.00 41.25 43.59 3k41 s ASN 120 CO 0.51 -0.29 2.12 0.03 -2.79 0.00 0.00 177.10 176.68 3k41 h ARG 121 N 8.06 0.00 -0.00 0.43 2.47 -1.90 -2.46 114.38 120.98 3k41 h ARG 121 Ca -0.15 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 3k41 h ARG 121 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 3k41 h ARG 121 CO 0.24 0.09 -0.05 0.72 0.56 0.00 0.00 179.97 181.53 3k41 n HIS 122 N -3.63 0.00 -3.72 3.04 8.25 -1.26 -4.86 115.22 113.04 3k41 n HIS 122 Ca -0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.30 3k41 n HIS 122 Cb 0.20 -0.09 -0.09 0.00 1.12 0.00 0.00 29.99 31.13 3k41 n HIS 122 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3k41 s THR 123 N -2.23 0.02 0.22 1.59 -1.32 -1.19 -5.03 115.64 107.71 3k41 s THR 123 Ca 0.37 -0.17 -0.00 0.00 -1.21 0.00 0.00 61.69 60.67 3k41 s THR 123 Cb 0.21 -0.63 -0.03 0.00 -1.51 0.00 0.00 72.50 70.53 3k41 s THR 123 CO 0.41 -0.09 1.55 0.25 -2.21 0.00 0.00 174.62 174.53 3k41 h LEU 124 N 4.69 0.51 -6.56 9.08 5.85 -1.89 0.11 115.31 127.10 3k41 h LEU 124 Ca -0.28 -0.26 0.20 0.00 0.84 0.00 0.00 57.88 58.38 3k41 h LEU 124 Cb 1.18 -0.15 -0.28 0.00 0.37 0.00 0.00 40.66 41.78 3k41 h LEU 124 CO 0.31 0.94 0.46 0.00 -0.34 0.00 0.00 178.44 179.81 3k41 s ALA 125 N -4.01 -2.80 0.16 1.25 0.00 -1.25 -3.83 121.76 111.27 3k41 s ALA 125 Ca -0.06 1.98 -0.25 0.00 0.00 0.00 0.00 51.96 53.63 3k41 s ALA 125 Cb 0.12 -2.05 0.06 0.00 0.00 0.00 0.00 23.12 21.25 3k41 s ALA 125 CO 0.82 -0.72 0.97 0.34 0.00 0.00 0.00 175.76 177.17 3k41 s ASP 126 N 1.83 -0.16 -1.03 0.00 -1.08 -0.71 -5.00 116.67 110.52 3k41 s ASP 126 Ca -0.04 -0.43 -0.07 0.00 -0.52 0.00 0.00 52.55 51.50 3k41 s ASP 126 Cb -0.03 0.49 0.01 0.00 -1.46 0.00 0.00 42.92 41.92 3k41 s ASP 126 CO -0.15 -0.91 0.87 0.59 0.52 0.00 0.00 175.17 176.09 3k41 n ASN 127 N -0.52 -5.31 -4.72 -0.34 3.02 -1.26 -0.53 115.26 105.61 3k41 n ASN 127 Ca -0.06 -0.40 -0.42 0.00 -0.03 0.00 0.00 54.58 53.68 3k41 n ASN 127 Cb 0.61 -3.92 -0.03 0.00 -0.61 0.00 0.00 39.78 35.83 3k41 n ASN 127 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3k41 s PHE 128 N -3.23 3.38 -0.05 3.10 5.36 -1.26 -4.08 117.98 121.21 3k41 s PHE 128 Ca 0.43 1.21 -0.30 0.00 -0.96 0.00 0.00 56.93 57.31 3k41 s PHE 128 Cb -0.19 -3.49 0.07 0.00 -0.34 0.00 0.00 43.02 39.06 3k41 s PHE 128 CO 0.54 -1.58 0.66 -0.80 -1.46 0.00 0.00 175.22 172.58 3k41 s ASN 129 N 1.00 -0.64 0.46 6.13 0.01 -0.41 -4.67 114.94 116.83 3k41 s ASN 129 Ca 0.60 0.68 -0.22 0.00 -0.71 0.00 0.00 52.86 53.21 3k41 s ASN 129 Cb -0.32 0.53 -0.08 0.00 0.41 0.00 0.00 41.25 41.79 3k41 s ASN 129 CO 0.30 -0.61 1.09 -2.84 -1.51 0.00 0.00 177.10 173.53 3k41 s PRO 130 N -1.23 3.84 -0.12 -0.60 0.02 -1.26 -1.25 135.00 134.38 3k41 s PRO 130 Ca -0.11 1.54 -0.02 0.00 0.02 0.00 0.00 61.00 62.43 3k41 s PRO 130 Cb -0.00 -2.29 -0.07 0.00 0.02 0.00 0.00 34.50 32.16 3k41 s PRO 130 CO 0.09 -0.43 -0.13 0.28 -0.33 0.00 0.00 177.00 176.48 3k41 n VAL 131 N -0.63 0.68 -3.61 3.83 0.31 0.15 -4.84 118.33 114.23 3k41 n VAL 131 Ca 0.08 -0.22 -0.01 0.00 -0.01 0.00 0.00 64.34 64.17 3k41 n VAL 131 Cb 0.50 -1.23 -0.01 0.00 -0.91 0.00 0.00 33.84 32.19 3k41 n VAL 131 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3k41 s SER 132 N -5.56 -0.09 -0.19 4.52 0.15 -1.05 -5.01 113.70 106.47 3k41 s SER 132 Ca -0.17 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.43 3k41 s SER 132 Cb 0.05 0.14 0.04 0.00 -1.71 0.00 0.00 66.02 64.55 3k41 s SER 132 CO 0.25 -0.25 -0.08 -0.70 1.20 0.00 0.00 173.24 173.66 3k41 s GLU 133 N -2.40 1.77 -0.59 5.44 2.12 -1.26 -0.28 118.70 123.50 3k41 s GLU 133 Ca 0.12 -0.75 -0.23 0.00 0.36 0.00 0.00 54.97 54.47 3k41 s GLU 133 Cb 0.02 -2.30 0.06 0.00 0.26 0.00 0.00 34.13 32.16 3k41 s GLU 133 CO -0.04 -0.45 0.90 -2.00 -0.54 0.00 0.00 175.26 173.12 3k41 s GLU 134 N 1.48 3.19 -0.10 4.30 2.56 0.89 -4.79 118.70 126.23 3k41 s GLU 134 Ca -0.01 -0.65 0.14 0.00 0.00 0.00 0.00 54.97 54.45 3k41 s GLU 134 Cb -0.16 -4.15 0.21 0.00 2.00 0.00 0.00 34.13 32.04 3k41 s GLU 134 CO -0.08 -1.60 1.11 2.89 -0.56 0.00 0.00 175.26 177.02 3k41 n ARG 135 N 7.35 0.94 -0.39 4.30 1.85 -1.26 -1.46 116.66 127.99 3k41 n ARG 135 Ca -0.02 -2.16 0.10 0.00 -1.00 0.00 0.00 57.85 54.76 3k41 n ARG 135 Cb 0.46 -1.23 0.29 0.00 -1.05 0.00 0.00 32.46 30.93 3k41 n ARG 135 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3k41 n GLY 136 N -1.05 2.70 3.96 2.89 0.00 -1.26 -4.31 105.19 108.13 3k41 n GLY 136 Ca 0.12 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 3k41 n GLY 136 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3k41 s MET 137 N -1.28 3.07 0.25 1.61 -1.94 -1.26 -5.01 119.30 114.73 3k41 s MET 137 Ca 0.43 -1.05 0.11 0.00 -1.71 0.00 0.00 55.69 53.47 3k41 s MET 137 Cb 0.24 -2.76 0.25 0.00 2.01 0.00 0.00 34.83 34.57 3k41 s MET 137 CO 0.26 0.10 1.54 -0.39 -0.01 0.00 0.00 175.02 176.52 3k41 h VAL 138 N 0.99 1.39 -3.07 -6.03 -1.51 -1.93 -3.32 116.25 102.76 3k41 h VAL 138 Ca -0.46 -2.36 0.04 0.00 -1.23 0.00 0.00 66.70 62.69 3k41 h VAL 138 Cb 1.25 2.30 -0.07 0.00 -2.13 0.00 0.00 31.29 32.65 3k41 h VAL 138 CO 0.54 0.66 0.18 0.00 -1.23 0.00 0.00 177.57 177.72 3k41 s GLN 139 N -3.34 1.66 -1.08 5.19 -2.07 -1.26 -3.23 119.66 115.52 3k41 s GLN 139 Ca -0.00 -0.92 -0.04 0.00 -1.82 0.00 0.00 55.36 52.58 3k41 s GLN 139 Cb 0.11 0.59 0.00 0.00 -1.09 0.00 0.00 33.01 32.63 3k41 s GLN 139 CO 0.76 -0.75 0.57 -0.25 -1.32 0.00 0.00 175.29 174.31 3k41 n ASP 140 N -0.43 -4.97 -4.32 12.60 8.00 -1.26 -5.01 116.55 121.16 3k41 n ASP 140 Ca -0.06 -0.27 -0.29 0.00 0.71 0.00 0.00 54.79 54.88 3k41 n ASP 140 Cb 0.60 -3.75 0.18 0.00 -0.02 0.00 0.00 41.12 38.14 3k41 n ASP 140 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k41 s PHE 142 N -3.41 -0.17 -0.20 0.00 -0.71 -0.53 -4.64 117.98 108.32 3k41 s PHE 142 Ca 0.69 0.23 -0.10 0.00 -1.04 0.00 0.00 56.93 56.70 3k41 s PHE 142 Cb -0.10 0.49 -0.05 0.00 -1.21 0.00 0.00 43.02 42.15 3k41 s PHE 142 CO 0.54 -0.20 0.15 0.71 -1.34 0.00 0.00 175.22 175.08 3k41 s TYR 143 N -1.62 3.41 -0.15 3.49 1.51 -0.35 -0.08 117.35 123.55 3k41 s TYR 143 Ca 0.06 0.34 -0.04 0.00 -1.01 0.00 0.00 57.07 56.42 3k41 s TYR 143 Cb -0.01 -2.18 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 3k41 s TYR 143 CO -0.04 0.27 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.48 3k41 s LEU 144 N 0.43 3.41 0.26 -1.29 2.96 0.62 -0.73 118.68 124.33 3k41 s LEU 144 Ca 0.09 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 3k41 s LEU 144 Cb -0.11 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 3k41 s LEU 144 CO -0.01 0.20 0.04 -0.36 -1.32 0.00 0.00 176.35 174.91 3k41 s PHE 145 N 0.16 1.61 0.05 5.38 0.40 0.26 0.30 117.98 126.13 3k41 s PHE 145 Ca 0.00 -1.02 -0.02 0.00 -0.60 0.00 0.00 56.93 55.29 3k41 s PHE 145 Cb -0.13 -0.97 -0.04 0.00 0.51 0.00 0.00 43.02 42.39 3k41 s PHE 145 CO 0.02 -0.14 -0.01 -1.83 0.70 0.00 0.00 175.22 173.96 3k41 s GLU 146 N -3.93 0.62 -0.18 0.44 -1.05 -0.38 -1.07 118.70 113.13 3k41 s GLU 146 Ca 0.33 -1.17 -0.30 0.00 -0.15 0.00 0.00 54.97 53.68 3k41 s GLU 146 Cb 0.07 0.22 0.14 0.00 -0.44 0.00 0.00 34.13 34.12 3k41 s GLU 146 CO 0.11 -0.12 1.06 1.41 0.95 0.00 0.00 175.26 178.68 3k41 s MET 147 N -3.81 0.50 0.08 -4.83 1.75 -0.89 -1.29 119.30 110.81 3k41 s MET 147 Ca 0.06 0.13 0.01 0.00 -1.25 0.00 0.00 55.69 54.64 3k41 s MET 147 Cb 0.07 0.24 -0.04 0.00 2.84 0.00 0.00 34.83 37.94 3k41 s MET 147 CO -0.10 -0.15 0.19 -0.51 -0.65 0.00 0.00 175.02 173.80 3k41 s ASP 148 N -1.06 6.12 -0.28 1.11 1.01 0.31 -1.14 116.67 122.74 3k41 s ASP 148 Ca 0.00 0.17 -0.22 0.00 0.71 0.00 0.00 52.55 53.22 3k41 s ASP 148 Cb -0.01 -1.82 0.11 0.00 1.01 0.00 0.00 42.92 42.22 3k41 s ASP 148 CO -0.00 0.15 0.91 -0.55 0.21 0.00 0.00 175.17 175.89 3k41 s SER 149 N -2.61 -0.59 0.48 0.27 0.15 -0.34 -1.74 113.70 109.31 3k41 s SER 149 Ca 0.33 1.06 0.24 0.00 0.70 0.00 0.00 55.95 58.28 3k41 s SER 149 Cb -0.12 1.14 1.19 0.00 -1.71 0.00 0.00 66.02 66.51 3k41 s SER 149 CO 0.26 -0.18 1.97 0.77 1.20 0.00 0.00 173.24 177.27 3k41 h SER 150 N 5.16 0.00 0.34 5.45 4.64 -0.27 -2.24 113.55 126.63 3k41 h SER 150 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3k41 h SER 150 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3k41 h SER 150 CO 0.12 0.19 0.00 -0.07 -0.87 0.00 0.00 176.83 176.20 3k41 h LEU 151 N 0.00 0.00 0.00 5.97 3.38 -1.83 -1.47 115.31 121.35 3k41 h LEU 151 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k41 h LEU 151 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3k41 h LEU 151 CO 0.02 0.00 -0.51 0.00 0.09 0.00 0.00 178.44 178.05 3k41 n ALA 152 N -1.84 3.34 -1.93 1.53 0.00 -0.86 -4.90 120.51 115.86 3k41 n ALA 152 Ca -0.00 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 3k41 n ALA 152 Cb 0.13 -1.15 -0.04 0.00 0.00 0.00 0.00 19.45 18.39 3k41 n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50