#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k83 n THR 2 N 0.00 2.71 0.00 2.03 -1.04 -1.26 -5.01 114.28 111.71 1k83 n THR 2 Ca 0.00 -1.39 0.00 0.00 -2.04 0.00 0.00 64.05 60.62 1k83 n THR 2 Cb 0.00 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 1k83 n THR 2 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1k83 n THR 3 N 0.49 0.00 -3.98 12.58 -1.04 -1.26 -4.84 114.28 116.23 1k83 n THR 3 Ca 0.29 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 62.06 1k83 n THR 3 Cb 1.20 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.69 1k83 n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1k83 s PHE 4 N 0.00 3.42 0.27 -1.42 -0.00 -1.26 -5.07 117.98 113.91 1k83 s PHE 4 Ca 0.00 0.04 0.07 0.00 -0.00 0.00 0.00 56.93 57.05 1k83 s PHE 4 Cb 0.00 -1.60 -0.04 0.00 -0.00 0.00 0.00 43.02 41.38 1k83 s PHE 4 CO 0.00 0.49 0.18 1.03 -0.00 0.00 0.00 175.22 176.92 1k83 s ARG 5 N -3.52 2.80 0.38 1.99 0.52 -1.26 -5.08 118.95 114.78 1k83 s ARG 5 Ca 0.34 -1.15 0.08 0.00 -0.52 0.00 0.00 55.73 54.48 1k83 s ARG 5 Cb -0.10 -2.49 -0.06 0.00 0.52 0.00 0.00 34.95 32.83 1k83 s ARG 5 CO 0.28 0.35 0.09 -0.06 0.02 0.00 0.00 175.30 175.98 1k83 s PHE 6 N -2.19 2.58 0.60 -0.53 0.40 -1.26 -2.94 117.98 114.65 1k83 s PHE 6 Ca 0.34 -0.53 -0.19 0.00 -0.60 0.00 0.00 56.93 55.94 1k83 s PHE 6 Cb -0.07 -1.74 -0.03 0.00 0.51 0.00 0.00 43.02 41.69 1k83 s PHE 6 CO 0.24 0.34 1.31 0.00 0.70 0.00 0.00 175.22 177.81 1k83 h ARG 8 N 0.92 0.10 0.01 0.00 2.43 -1.99 -3.00 114.38 112.86 1k83 h ARG 8 Ca -0.51 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1k83 h ARG 8 Cb 1.32 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 1k83 h ARG 8 CO 0.55 0.48 -0.01 -0.44 -1.51 0.00 0.00 179.97 179.04 1k83 h ASP 9 N -0.28 -0.01 -0.05 -3.80 3.32 -2.00 -3.41 116.42 110.19 1k83 h ASP 9 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1k83 h ASP 9 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1k83 h ASP 9 CO 0.01 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.63 1k83 n ASN 11 N -0.20 -5.06 -4.76 0.00 5.15 -1.13 -4.91 115.26 104.34 1k83 n ASN 11 Ca 0.18 -0.72 -0.22 0.00 -0.60 0.00 0.00 54.58 53.22 1k83 n ASN 11 Cb 0.24 -4.03 -0.05 0.00 -0.53 0.00 0.00 39.78 35.41 1k83 n ASN 11 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1k83 s ASN 12 N -3.26 5.07 0.44 1.20 0.02 -1.26 -4.71 114.94 112.44 1k83 s ASN 12 Ca 0.64 -0.49 -0.25 0.00 -1.02 0.00 0.00 52.86 51.74 1k83 s ASN 12 Cb -0.32 -1.06 -0.08 0.00 0.02 0.00 0.00 41.25 39.81 1k83 s ASN 12 CO 0.79 -0.12 1.40 -0.32 0.02 0.00 0.00 177.10 178.87 1k83 s MET 13 N -3.82 3.73 0.04 -0.60 -2.45 -1.26 -0.27 119.30 114.67 1k83 s MET 13 Ca 0.35 2.36 -0.01 0.00 -1.25 0.00 0.00 55.69 57.14 1k83 s MET 13 Cb -0.06 -2.67 -0.04 0.00 1.25 0.00 0.00 34.83 33.31 1k83 s MET 13 CO 0.23 -0.76 0.19 -0.51 1.05 0.00 0.00 175.02 175.23 1k83 s LEU 14 N -2.68 4.33 0.01 4.11 1.43 -1.15 -4.56 118.68 120.17 1k83 s LEU 14 Ca 0.60 0.27 0.08 0.00 -1.03 0.00 0.00 54.13 54.05 1k83 s LEU 14 Cb -0.43 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 1k83 s LEU 14 CO 0.55 0.20 -0.23 -0.31 0.23 0.00 0.00 176.35 176.78 1k83 s TYR 15 N -1.45 2.42 -0.01 0.29 1.51 -0.07 -4.90 117.35 115.15 1k83 s TYR 15 Ca 0.32 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.73 1k83 s TYR 15 Cb -0.13 -1.47 -0.07 0.00 -0.11 0.00 0.00 41.96 40.18 1k83 s TYR 15 CO 0.25 0.10 1.77 -1.25 -1.11 0.00 0.00 175.55 175.32 1k83 s PRO 16 N -1.00 4.17 0.10 -1.71 0.04 -1.26 -1.38 135.00 133.96 1k83 s PRO 16 Ca 0.12 2.37 0.07 0.00 0.04 0.00 0.00 61.00 63.59 1k83 s PRO 16 Cb -0.10 -4.01 -0.03 0.00 0.04 0.00 0.00 34.50 30.39 1k83 s PRO 16 CO 0.01 -0.88 -0.18 0.50 0.04 0.00 0.00 177.00 176.50 1k83 s ARG 17 N 4.05 1.04 -0.17 4.56 3.52 0.23 -4.95 118.95 127.23 1k83 s ARG 17 Ca 0.79 -1.14 -0.05 0.00 -0.13 0.00 0.00 55.73 55.20 1k83 s ARG 17 Cb -0.38 -1.18 -0.03 0.00 -1.56 0.00 0.00 34.95 31.81 1k83 s ARG 17 CO 0.34 0.26 -0.00 -2.00 -0.81 0.00 0.00 175.30 173.10 1k83 s GLU 18 N -2.03 3.76 -0.82 5.12 2.12 -1.26 -0.42 118.70 125.17 1k83 s GLU 18 Ca 0.05 -0.46 -0.20 0.00 0.36 0.00 0.00 54.97 54.72 1k83 s GLU 18 Cb -0.09 -3.03 0.11 0.00 0.26 0.00 0.00 34.13 31.38 1k83 s GLU 18 CO 0.04 0.22 1.04 0.34 -0.54 0.00 0.00 175.26 176.35 1k83 s ASP 19 N 0.45 6.47 0.22 -1.70 3.68 -0.67 -4.89 116.67 120.22 1k83 s ASP 19 Ca -0.01 -1.71 -0.08 0.00 2.13 0.00 0.00 52.55 52.88 1k83 s ASP 19 Cb -0.14 -2.39 0.28 0.00 -1.45 0.00 0.00 42.92 39.23 1k83 s ASP 19 CO 0.02 -1.16 1.82 0.11 0.13 0.00 0.00 175.17 176.09 1k83 h LYS 20 N 9.05 0.75 -0.91 4.34 1.57 -1.96 0.28 116.57 129.68 1k83 h LYS 20 Ca -0.01 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1k83 h LYS 20 Cb 1.04 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 33.14 1k83 h LYS 20 CO 1.12 0.49 0.60 0.93 -0.57 0.00 0.00 179.45 182.03 1k83 h GLU 21 N 0.77 1.17 -0.01 3.15 5.08 -1.98 -3.03 114.58 119.72 1k83 h GLU 21 Ca 0.33 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1k83 h GLU 21 Cb 0.21 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1k83 h GLU 21 CO -0.19 0.77 -0.00 0.09 -1.00 0.00 0.00 179.01 178.68 1k83 n ASN 22 N -4.41 1.85 -3.41 1.42 3.02 -1.16 -5.03 115.26 107.54 1k83 n ASN 22 Ca 0.11 -1.42 -0.17 0.00 -0.03 0.00 0.00 54.58 53.07 1k83 n ASN 22 Cb 0.04 0.01 0.03 0.00 -0.61 0.00 0.00 39.78 39.25 1k83 n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1k83 n ASN 23 N 0.56 -6.35 -3.95 6.41 3.02 0.96 -5.03 115.26 110.88 1k83 n ASN 23 Ca 0.06 -0.63 -0.08 0.00 -0.03 0.00 0.00 54.58 53.90 1k83 n ASN 23 Cb 0.26 -4.09 -0.09 0.00 -0.61 0.00 0.00 39.78 35.25 1k83 n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k83 s ARG 24 N -4.49 0.72 -0.16 3.52 1.70 -1.14 -4.99 118.95 114.11 1k83 s ARG 24 Ca 0.23 -1.02 -0.19 0.00 -0.47 0.00 0.00 55.73 54.28 1k83 s ARG 24 Cb -0.06 0.28 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 1k83 s ARG 24 CO 0.81 -0.19 0.51 -1.17 -1.08 0.00 0.00 175.30 174.18 1k83 s LEU 25 N -2.76 4.21 0.27 -1.89 2.96 -1.26 -1.68 118.68 118.54 1k83 s LEU 25 Ca 0.04 0.76 0.12 0.00 -0.22 0.00 0.00 54.13 54.83 1k83 s LEU 25 Cb 0.05 -2.72 -0.05 0.00 0.50 0.00 0.00 46.19 43.97 1k83 s LEU 25 CO -0.10 -0.09 -0.20 -0.76 -1.32 0.00 0.00 176.35 173.88 1k83 s LEU 26 N 1.13 2.58 -0.17 -0.68 1.43 0.44 -1.63 118.68 121.79 1k83 s LEU 26 Ca 0.26 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 1k83 s LEU 26 Cb -0.15 -1.09 0.04 0.00 0.03 0.00 0.00 46.19 45.01 1k83 s LEU 26 CO 0.10 0.04 -0.08 -0.36 0.23 0.00 0.00 176.35 176.28 1k83 s PHE 27 N -2.49 1.97 0.41 0.29 0.40 0.36 0.76 117.98 119.69 1k83 s PHE 27 Ca 0.29 -1.22 0.08 0.00 -0.60 0.00 0.00 56.93 55.48 1k83 s PHE 27 Cb -0.05 -1.45 -0.01 0.00 0.51 0.00 0.00 43.02 42.02 1k83 s PHE 27 CO 0.15 -0.65 0.43 -1.83 0.70 0.00 0.00 175.22 174.01 1k83 s GLU 28 N 1.55 2.66 0.24 0.44 -1.05 -0.48 -1.11 118.70 120.94 1k83 s GLU 28 Ca 0.01 -1.41 0.07 0.00 -0.15 0.00 0.00 54.97 53.49 1k83 s GLU 28 Cb -0.15 -2.51 -0.03 0.00 -0.44 0.00 0.00 34.13 30.99 1k83 s GLU 28 CO -0.08 -0.18 0.22 0.00 0.95 0.00 0.00 175.26 176.16 1k83 n ARG 30 N -1.15 2.54 0.00 0.00 1.74 -1.26 -4.64 116.66 113.88 1k83 n ARG 30 Ca -0.08 -2.19 0.00 0.00 -0.77 0.00 0.00 57.85 54.81 1k83 n ARG 30 Cb 0.57 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 1k83 n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1k83 n THR 31 N -0.48 0.00 -0.69 0.55 -1.04 -1.26 -5.07 114.28 106.29 1k83 n THR 31 Ca 0.11 0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 1k83 n THR 31 Cb 0.53 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 1k83 n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k83 n SER 33 N 0.00 2.74 -4.70 0.00 7.64 -1.26 -4.63 113.62 113.41 1k83 n SER 33 Ca 0.00 -2.86 -0.32 0.00 1.01 0.00 0.00 58.87 56.70 1k83 n SER 33 Cb 0.00 -0.39 0.13 0.00 -1.01 0.00 0.00 64.21 62.94 1k83 n SER 33 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k83 s TYR 34 N -2.49 1.90 -0.29 1.43 5.04 -1.26 -4.87 117.35 116.81 1k83 s TYR 34 Ca 0.30 1.69 -0.22 0.00 -2.44 0.00 0.00 57.07 56.39 1k83 s TYR 34 Cb 0.25 -3.37 0.15 0.00 0.35 0.00 0.00 41.96 39.34 1k83 s TYR 34 CO 0.05 -2.62 1.11 0.54 -1.34 0.00 0.00 175.55 173.29 1k83 s VAL 35 N -2.39 0.00 0.18 3.14 0.11 -1.26 -2.23 120.40 117.95 1k83 s VAL 35 Ca 0.69 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.74 1k83 s VAL 35 Cb -0.25 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.56 1k83 s VAL 35 CO 0.52 0.00 0.08 -1.83 -3.33 0.00 0.00 175.10 170.55 1k83 s GLU 36 N 0.53 1.12 0.89 1.54 -1.05 -0.27 -4.97 118.70 116.49 1k83 s GLU 36 Ca 0.00 -1.57 -0.14 0.00 -0.15 0.00 0.00 54.97 53.12 1k83 s GLU 36 Cb -0.04 0.11 0.13 0.00 -0.44 0.00 0.00 34.13 33.89 1k83 s GLU 36 CO -0.11 -0.30 1.21 -1.83 0.95 0.00 0.00 175.26 175.19 1k83 s GLU 37 N -4.07 1.31 0.11 -4.83 -1.05 -1.26 -0.49 118.70 108.42 1k83 s GLU 37 Ca 0.32 -0.02 0.01 0.00 -0.15 0.00 0.00 54.97 55.12 1k83 s GLU 37 Cb 0.07 -1.89 -0.04 0.00 -0.44 0.00 0.00 34.13 31.84 1k83 s GLU 37 CO 0.08 -2.02 0.26 0.00 0.95 0.00 0.00 175.26 174.52 1k83 s ALA 38 N -3.60 3.98 0.00 -0.84 0.00 -0.65 -4.61 121.76 116.04 1k83 s ALA 38 Ca 0.66 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1k83 s ALA 38 Cb -0.09 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1k83 s ALA 38 CO 0.51 0.69 0.20 0.41 0.00 0.00 0.00 175.76 177.57 1k83 n GLY 39 N -0.09 -0.81 3.80 0.00 0.00 -1.26 -4.94 105.19 101.88 1k83 n GLY 39 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 1k83 n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k83 s SER 40 N -2.65 4.78 0.00 1.61 1.04 -1.26 -5.02 113.70 112.20 1k83 s SER 40 Ca 0.00 -0.84 0.27 0.00 0.48 0.00 0.00 55.95 55.87 1k83 s SER 40 Cb 0.00 -0.61 0.95 0.00 0.10 0.00 0.00 66.02 66.45 1k83 s SER 40 CO 0.00 -0.51 1.71 -0.81 0.98 0.00 0.00 173.24 174.61 1k83 n PRO 41 N -1.34 0.10 -2.05 4.02 -0.04 -1.26 -4.82 135.00 129.60 1k83 n PRO 41 Ca 0.00 -0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 63.00 1k83 n PRO 41 Cb 0.62 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 1k83 n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1k83 s LEU 42 N -2.92 3.75 -0.10 1.53 2.96 -1.26 -4.86 118.68 117.77 1k83 s LEU 42 Ca 0.15 1.52 0.20 0.00 -0.22 0.00 0.00 54.13 55.78 1k83 s LEU 42 Cb 0.19 -3.53 -0.29 0.00 0.50 0.00 0.00 46.19 43.06 1k83 s LEU 42 CO 0.59 -1.43 0.31 0.52 -1.32 0.00 0.00 176.35 175.02 1k83 n VAL 43 N 6.81 0.71 -3.56 1.68 0.31 -1.26 -4.86 118.33 118.15 1k83 n VAL 43 Ca 0.20 -0.68 -0.17 0.00 -0.01 0.00 0.00 64.34 63.69 1k83 n VAL 43 Cb 0.46 -0.25 -0.06 0.00 -0.91 0.00 0.00 33.84 33.07 1k83 n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1k83 s TYR 44 N -3.01 -0.68 -0.11 3.52 5.04 -1.26 -4.98 117.35 115.87 1k83 s TYR 44 Ca -0.09 1.32 -0.07 0.00 -2.44 0.00 0.00 57.07 55.79 1k83 s TYR 44 Cb 0.10 0.36 0.04 0.00 0.35 0.00 0.00 41.96 42.81 1k83 s TYR 44 CO 0.87 -0.53 0.27 0.50 -1.34 0.00 0.00 175.55 175.31 1k83 s ARG 45 N -0.75 0.26 -0.18 4.97 6.06 -1.26 -5.03 118.95 123.02 1k83 s ARG 45 Ca -0.08 0.50 -0.00 0.00 -2.50 0.00 0.00 55.73 53.65 1k83 s ARG 45 Cb -0.02 -0.02 0.04 0.00 0.06 0.00 0.00 34.95 35.02 1k83 s ARG 45 CO 0.07 -0.12 -0.07 -1.58 -2.50 0.00 0.00 175.30 171.11 1k83 s HIS 46 N 0.89 1.98 -0.51 5.12 5.65 -1.26 -4.84 115.29 122.32 1k83 s HIS 46 Ca -0.06 -1.31 -0.16 0.00 0.25 0.00 0.00 55.06 53.78 1k83 s HIS 46 Cb -0.07 -1.43 0.09 0.00 -1.18 0.00 0.00 32.58 29.98 1k83 s HIS 46 CO -0.06 -0.67 0.48 -1.21 -0.65 0.00 0.00 174.74 172.63 1k83 s GLU 47 N 1.54 3.00 0.34 2.88 2.02 -1.26 -4.91 118.70 122.32 1k83 s GLU 47 Ca -0.01 -1.40 0.07 0.00 0.02 0.00 0.00 54.97 53.65 1k83 s GLU 47 Cb -0.16 -4.19 0.63 0.00 0.10 0.00 0.00 34.13 30.51 1k83 s GLU 47 CO -0.08 -1.18 1.84 -0.07 0.02 0.00 0.00 175.26 175.79 1k83 h LEU 48 N 9.00 0.32 -7.98 1.80 3.38 -2.08 -3.36 115.31 116.38 1k83 h LEU 48 Ca -0.29 -0.08 -0.67 0.00 0.09 0.00 0.00 57.88 56.93 1k83 h LEU 48 Cb 1.10 -0.08 -0.35 0.00 0.09 0.00 0.00 40.66 41.42 1k83 h LEU 48 CO 0.95 0.52 -0.78 -0.63 0.09 0.00 0.00 178.44 178.59 1k83 s ILE 49 N -4.62 2.44 0.29 1.22 1.01 -1.26 -5.11 121.20 115.17 1k83 s ILE 49 Ca -0.06 -1.36 0.09 0.00 0.00 0.00 0.00 60.65 59.32 1k83 s ILE 49 Cb 0.15 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 1k83 s ILE 49 CO 0.75 0.09 0.00 -0.89 0.00 0.00 0.00 174.94 174.90 1k83 s THR 50 N 1.20 3.19 -0.01 2.92 2.01 -1.26 -5.03 115.64 118.66 1k83 s THR 50 Ca -0.04 -1.93 0.01 0.00 0.31 0.00 0.00 61.69 60.03 1k83 s THR 50 Cb -0.18 -2.81 -0.01 0.00 0.01 0.00 0.00 72.50 69.51 1k83 s THR 50 CO -0.05 -0.32 0.00 0.59 -0.69 0.00 0.00 174.62 174.15 1k83 n ASN 51 N -0.92 4.79 -4.68 3.53 4.13 -1.26 -5.02 115.26 115.84 1k83 n ASN 51 Ca -0.05 -0.00 -0.45 0.00 1.68 0.00 0.00 54.58 55.76 1k83 n ASN 51 Cb 0.60 0.52 -0.04 0.00 -1.54 0.00 0.00 39.78 39.32 1k83 n ASN 51 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1k83 n ILE 52 N -2.03 0.07 0.00 2.41 3.06 -1.26 -1.80 119.36 119.80 1k83 n ILE 52 Ca -0.01 -0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.22 1k83 n ILE 52 Cb 0.53 -1.73 0.00 0.00 0.54 0.00 0.00 39.64 38.98 1k83 n ILE 52 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1k83 n GLY 53 N 3.69 1.34 0.21 4.50 0.00 -1.26 -4.95 105.19 108.72 1k83 n GLY 53 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 1k83 n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1k83 h GLU 54 N 0.16 0.05 0.00 1.61 5.08 -1.69 -2.54 114.58 117.25 1k83 h GLU 54 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1k83 h GLU 54 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1k83 h GLU 54 CO 0.00 0.03 -0.43 2.41 -1.00 0.00 0.00 179.01 180.03 1k83 n THR 55 N -5.31 0.32 -1.32 1.13 -1.04 -1.26 -1.93 114.28 104.86 1k83 n THR 55 Ca 0.06 -0.21 -0.52 0.00 -2.04 0.00 0.00 64.05 61.34 1k83 n THR 55 Cb 0.29 -0.19 -0.07 0.00 -1.82 0.00 0.00 70.33 68.53 1k83 n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k83 n ALA 56 N -1.74 -2.68 0.00 2.41 0.00 -0.96 -3.02 120.51 114.53 1k83 n ALA 56 Ca 0.04 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1k83 n ALA 56 Cb 0.41 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1k83 n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k83 n GLY 57 N 1.79 0.81 3.55 0.00 0.00 -1.26 -4.88 105.19 105.20 1k83 n GLY 57 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1k83 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k83 s VAL 58 N -2.00 4.05 0.27 1.61 1.01 -1.17 -4.92 120.40 119.25 1k83 s VAL 58 Ca 0.00 -1.11 0.06 0.00 0.00 0.00 0.00 61.98 60.93 1k83 s VAL 58 Cb 0.00 -5.06 -0.03 0.00 0.00 0.00 0.00 36.38 31.29 1k83 s VAL 58 CO 0.00 -1.91 0.34 -0.69 0.00 0.00 0.00 175.10 172.83 1k83 s VAL 59 N 4.56 4.76 0.25 2.92 1.01 -1.26 -5.03 120.40 127.61 1k83 s VAL 59 Ca 0.46 -1.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 1k83 s VAL 59 Cb 0.00 -3.64 0.23 0.00 0.00 0.00 0.00 36.38 32.98 1k83 s VAL 59 CO -0.06 -0.29 1.86 -0.61 0.00 0.00 0.00 175.10 176.00 1k83 h GLN 60 N 1.20 1.01 -0.75 2.72 5.75 -2.03 -2.12 115.11 120.88 1k83 h GLN 60 Ca -0.50 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 57.94 1k83 h GLN 60 Cb 1.24 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 29.56 1k83 h GLN 60 CO 0.59 0.67 0.00 -0.25 -2.65 0.00 0.00 178.83 177.19 1k83 n ASP 61 N -4.58 2.54 0.30 -0.69 8.00 -1.26 -4.45 116.55 116.42 1k83 n ASP 61 Ca 0.13 -2.29 0.20 0.00 0.71 0.00 0.00 54.79 53.55 1k83 n ASP 61 Cb 0.18 -0.51 1.08 0.00 -0.02 0.00 0.00 41.12 41.85 1k83 n ASP 61 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1k83 h ILE 62 N 1.50 0.00 0.00 0.53 2.10 -1.74 -2.10 117.51 117.80 1k83 h ILE 62 Ca 0.00 -0.03 -0.00 0.00 1.08 0.00 0.00 64.86 65.90 1k83 h ILE 62 Cb 0.94 0.94 -0.00 0.00 -1.09 0.00 0.00 36.82 37.61 1k83 h ILE 62 CO 0.15 0.00 -0.56 1.23 -1.08 0.00 0.00 178.15 177.89 1k83 h GLY 63 N 0.16 0.00 -0.16 8.18 0.00 -1.85 -3.19 103.07 106.21 1k83 h GLY 63 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1k83 h GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1k83 n SER 64 N -2.87 0.94 -4.56 0.19 3.41 -0.79 -4.68 113.62 105.26 1k83 n SER 64 Ca 0.02 -1.54 -0.43 0.00 -0.26 0.00 0.00 58.87 56.66 1k83 n SER 64 Cb 0.54 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 1k83 n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1k83 s ASP 65 N -1.64 6.44 0.54 4.04 -1.08 -1.21 -4.90 116.67 118.86 1k83 s ASP 65 Ca 0.32 0.02 0.30 0.00 -0.52 0.00 0.00 52.55 52.67 1k83 s ASP 65 Cb 0.16 -2.51 1.54 0.00 -1.46 0.00 0.00 42.92 40.65 1k83 s ASP 65 CO 0.26 -1.34 2.09 1.55 0.52 0.00 0.00 175.17 178.26 1k83 h PRO 66 N 9.39 0.00 0.00 4.34 0.13 -1.91 -2.99 132.00 140.97 1k83 h PRO 66 Ca -0.25 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.82 1k83 h PRO 66 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1k83 h PRO 66 CO 1.13 0.09 -0.27 1.79 -0.23 0.00 0.00 178.00 180.52 1k83 h THR 67 N 0.00 0.52 -3.88 1.56 1.35 -1.98 -3.45 112.91 107.03 1k83 h THR 67 Ca -0.00 -1.46 -0.51 0.00 -0.55 0.00 0.00 66.41 63.89 1k83 h THR 67 Cb 0.32 2.04 0.04 0.00 -1.73 0.00 0.00 68.15 68.82 1k83 h THR 67 CO 0.01 0.26 0.52 -0.76 -0.25 0.00 0.00 175.52 175.31 1k83 s LEU 68 N -6.51 4.39 0.54 3.87 1.43 -1.13 -5.03 118.68 116.24 1k83 s LEU 68 Ca 0.03 2.39 -0.17 0.00 -1.03 0.00 0.00 54.13 55.35 1k83 s LEU 68 Cb 0.08 -3.78 -0.06 0.00 0.03 0.00 0.00 46.19 42.46 1k83 s LEU 68 CO 0.68 -0.42 1.03 -2.16 0.23 0.00 0.00 176.35 175.70 1k83 s PRO 69 N -1.85 3.65 0.03 1.29 0.04 -1.26 -4.92 135.00 131.98 1k83 s PRO 69 Ca 0.50 1.19 0.07 0.00 0.04 0.00 0.00 61.00 62.80 1k83 s PRO 69 Cb -0.33 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 1k83 s PRO 69 CO 0.43 -0.54 -0.21 1.03 0.04 0.00 0.00 177.00 177.75 1k83 s ARG 70 N -3.79 1.48 0.30 4.56 0.52 -1.26 -1.58 118.95 119.18 1k83 s ARG 70 Ca 0.63 -0.91 0.03 0.00 -0.52 0.00 0.00 55.73 54.97 1k83 s ARG 70 Cb -0.14 -1.56 -0.04 0.00 0.52 0.00 0.00 34.95 33.73 1k83 s ARG 70 CO 0.29 0.41 0.15 -1.54 0.02 0.00 0.00 175.30 174.63 1k83 s SER 71 N -1.03 1.51 -0.25 0.23 1.04 -1.13 -4.98 113.70 109.09 1k83 s SER 71 Ca 0.08 -1.54 0.11 0.00 0.48 0.00 0.00 55.95 55.08 1k83 s SER 71 Cb -0.09 0.37 0.46 0.00 0.10 0.00 0.00 66.02 66.86 1k83 s SER 71 CO 0.01 -0.87 1.19 -0.90 0.98 0.00 0.00 173.24 173.64 1k83 n ASP 72 N -0.89 3.51 -2.82 7.02 5.75 -1.26 -2.64 116.55 125.21 1k83 n ASP 72 Ca 0.01 -3.47 -0.03 0.00 -0.01 0.00 0.00 54.79 51.29 1k83 n ASP 72 Cb 0.65 -0.40 0.02 0.00 -1.03 0.00 0.00 41.12 40.36 1k83 n ASP 72 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1k83 n ARG 73 N -0.73 -1.76 -4.28 0.11 1.74 -1.26 -4.83 116.66 105.64 1k83 n ARG 73 Ca 0.31 -0.14 -0.31 0.00 -0.77 0.00 0.00 57.85 56.94 1k83 n ARG 73 Cb 0.89 -0.15 -0.16 0.00 -1.02 0.00 0.00 32.46 32.01 1k83 n ARG 73 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1k83 s GLU 74 N -3.20 2.71 0.05 5.56 2.12 -1.26 -4.32 118.70 120.36 1k83 s GLU 74 Ca 0.06 -0.73 -0.30 0.00 0.36 0.00 0.00 54.97 54.36 1k83 s GLU 74 Cb -0.01 -2.32 -0.05 0.00 0.26 0.00 0.00 34.13 32.01 1k83 s GLU 74 CO 0.05 -0.15 1.22 0.00 -0.54 0.00 0.00 175.26 175.85 1k83 n PRO 76 N 4.19 0.00 0.00 0.00 -0.02 -1.26 -1.04 135.00 136.87 1k83 n PRO 76 Ca 0.10 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1k83 n PRO 76 Cb 0.46 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1k83 n PRO 76 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1k83 n LYS 77 N -1.06 0.00 -0.00 -0.52 5.02 -1.26 -4.81 118.16 115.53 1k83 n LYS 77 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 1k83 n LYS 77 Cb 0.18 -0.04 0.65 0.00 -0.02 0.00 0.00 35.03 35.79 1k83 n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k83 n HIS 79 N -0.18 -0.01 -0.68 0.00 8.25 -0.21 -4.94 115.22 117.46 1k83 n HIS 79 Ca 0.20 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.38 1k83 n HIS 79 Cb 0.28 -1.72 0.22 0.00 1.12 0.00 0.00 29.99 29.89 1k83 n HIS 79 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1k83 s SER 80 N -1.60 1.61 -0.04 0.41 1.04 -1.26 -4.51 113.70 109.35 1k83 s SER 80 Ca 0.00 1.59 0.07 0.00 0.48 0.00 0.00 55.95 58.09 1k83 s SER 80 Cb 0.00 -2.30 0.16 0.00 0.10 0.00 0.00 66.02 63.99 1k83 s SER 80 CO 0.00 -3.82 1.12 0.54 0.98 0.00 0.00 173.24 172.06 1k83 n ARG 81 N -4.67 2.66 -3.14 4.02 5.12 -1.26 -3.20 116.66 116.19 1k83 n ARG 81 Ca 0.05 -1.92 -0.45 0.00 -1.93 0.00 0.00 57.85 53.60 1k83 n ARG 81 Cb 0.54 -1.21 -0.04 0.00 -1.16 0.00 0.00 32.46 30.59 1k83 n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1k83 s GLU 82 N -1.48 3.29 0.25 5.56 0.41 -1.26 -4.08 118.70 121.38 1k83 s GLU 82 Ca 0.14 -1.70 0.11 0.00 -0.41 0.00 0.00 54.97 53.10 1k83 s GLU 82 Cb 0.10 -4.44 -0.05 0.00 -1.78 0.00 0.00 34.13 27.97 1k83 s GLU 82 CO 0.05 -1.52 -0.14 -0.80 -0.49 0.00 0.00 175.26 172.36 1k83 s ASN 83 N 3.28 3.90 -0.03 -0.19 0.01 -1.08 -0.37 114.94 120.46 1k83 s ASN 83 Ca 0.17 -0.84 0.02 0.00 -0.71 0.00 0.00 52.86 51.49 1k83 s ASN 83 Cb -0.17 -0.49 0.01 0.00 0.41 0.00 0.00 41.25 41.01 1k83 s ASN 83 CO -0.01 0.05 -0.07 0.54 -1.51 0.00 0.00 177.10 176.11 1k83 s VAL 84 N -2.21 0.64 0.05 1.60 0.11 -1.17 -2.84 120.40 116.59 1k83 s VAL 84 Ca 0.28 -0.24 0.03 0.00 -2.93 0.00 0.00 61.98 59.12 1k83 s VAL 84 Cb -0.06 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 1k83 s VAL 84 CO 0.15 0.22 -0.09 0.72 -3.33 0.00 0.00 175.10 172.77 1k83 s PHE 85 N 0.47 0.83 0.16 1.54 -0.12 -0.62 -1.24 117.98 119.00 1k83 s PHE 85 Ca -0.07 -0.51 -0.05 0.00 -0.05 0.00 0.00 56.93 56.25 1k83 s PHE 85 Cb -0.11 -0.48 -0.02 0.00 -0.63 0.00 0.00 43.02 41.78 1k83 s PHE 85 CO 0.00 -0.05 0.20 -0.59 -0.05 0.00 0.00 175.22 174.73 1k83 s PHE 86 N -1.46 0.66 0.73 3.49 -0.12 -0.84 -4.02 117.98 116.41 1k83 s PHE 86 Ca -0.07 -1.00 -0.02 0.00 -0.05 0.00 0.00 56.93 55.78 1k83 s PHE 86 Cb -0.09 -0.25 0.13 0.00 -0.63 0.00 0.00 43.02 42.17 1k83 s PHE 86 CO 0.01 -0.66 1.01 -1.14 -0.05 0.00 0.00 175.22 174.39 1k83 s GLN 87 N -4.02 1.65 -0.02 1.99 0.74 -1.26 -0.86 119.66 117.88 1k83 s GLN 87 Ca 0.23 -0.98 -0.34 0.00 0.05 0.00 0.00 55.36 54.32 1k83 s GLN 87 Cb 0.05 -2.29 -0.12 0.00 1.10 0.00 0.00 33.01 31.76 1k83 s GLN 87 CO 0.03 -1.49 1.83 0.45 -0.55 0.00 0.00 175.29 175.56 1k83 n SER 88 N -2.90 3.49 0.03 6.67 2.88 -1.25 -4.84 113.62 117.69 1k83 n SER 88 Ca 0.14 0.99 0.11 0.00 -1.33 0.00 0.00 58.87 58.78 1k83 n SER 88 Cb 0.60 -1.41 0.44 0.00 -0.75 0.00 0.00 64.21 63.10 1k83 n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k83 n GLN 89 N 6.04 0.06 -1.42 -1.46 1.13 -0.81 -4.76 117.38 116.15 1k83 n GLN 89 Ca 0.21 0.19 -0.33 0.00 -1.94 0.00 0.00 57.00 55.13 1k83 n GLN 89 Cb 0.31 -1.59 0.09 0.00 0.11 0.00 0.00 30.24 29.16 1k83 n GLN 89 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1k83 s GLN 90 N -3.06 2.19 -0.55 -1.09 -0.21 -1.25 -4.89 119.66 110.80 1k83 s GLN 90 Ca 0.09 1.59 0.06 0.00 0.02 0.00 0.00 55.36 57.12 1k83 s GLN 90 Cb 0.13 -1.86 0.35 0.00 1.00 0.00 0.00 33.01 32.63 1k83 s GLN 90 CO 0.40 -1.76 0.95 0.54 -2.12 0.00 0.00 175.29 173.30 1k83 n ARG 91 N -2.88 3.10 -4.10 2.91 5.12 -1.26 -5.03 116.66 114.52 1k83 n ARG 91 Ca 0.12 -4.73 -0.22 0.00 -1.93 0.00 0.00 57.85 51.09 1k83 n ARG 91 Cb 0.51 -2.20 -0.04 0.00 -1.16 0.00 0.00 32.46 29.57 1k83 n ARG 91 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1k83 s ARG 92 N -3.41 2.94 0.03 5.56 0.52 -1.26 -5.03 118.95 118.30 1k83 s ARG 92 Ca 0.48 -1.05 -0.11 0.00 -0.52 0.00 0.00 55.73 54.53 1k83 s ARG 92 Cb 0.30 -2.57 -0.33 0.00 0.52 0.00 0.00 34.95 32.87 1k83 s ARG 92 CO -0.14 0.39 1.00 0.87 0.02 0.00 0.00 175.30 177.44 1k83 h LYS 93 N 1.47 0.43 -1.96 3.54 1.57 -2.03 -3.33 116.57 116.26 1k83 h LYS 93 Ca -0.48 -0.73 -0.23 0.00 -1.87 0.00 0.00 60.65 57.33 1k83 h LYS 93 Cb 1.24 0.27 -0.09 0.00 0.08 0.00 0.00 32.23 33.73 1k83 h LYS 93 CO 0.61 1.34 -0.10 -0.40 -0.57 0.00 0.00 179.45 180.33 1k83 n ASP 94 N -3.63 5.62 -4.83 0.86 5.75 -1.26 -4.88 116.55 114.18 1k83 n ASP 94 Ca -0.15 -2.67 -0.22 0.00 -0.01 0.00 0.00 54.79 51.74 1k83 n ASP 94 Cb 1.08 -1.30 -0.04 0.00 -1.03 0.00 0.00 41.12 39.82 1k83 n ASP 94 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1k83 s THR 95 N -0.12 4.13 0.40 2.12 2.01 -1.25 -5.13 115.64 117.80 1k83 s THR 95 Ca 0.51 -1.41 0.01 0.00 0.31 0.00 0.00 61.69 61.11 1k83 s THR 95 Cb 0.27 -3.32 0.08 0.00 0.01 0.00 0.00 72.50 69.55 1k83 s THR 95 CO -0.05 -0.30 0.55 -1.54 -0.69 0.00 0.00 174.62 172.59 1k83 n SER 96 N -1.23 0.86 -0.78 3.53 3.41 -1.26 -5.01 113.62 113.14 1k83 n SER 96 Ca -0.06 -1.70 0.04 0.00 -0.26 0.00 0.00 58.87 56.89 1k83 n SER 96 Cb 0.58 -0.34 0.21 0.00 -0.26 0.00 0.00 64.21 64.40 1k83 n SER 96 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1k83 n MET 97 N -1.99 1.97 -1.72 4.33 2.81 -1.26 -4.72 117.12 116.55 1k83 n MET 97 Ca 0.09 -2.99 -0.36 0.00 -1.81 0.00 0.00 57.70 52.63 1k83 n MET 97 Cb 0.34 -1.73 0.07 0.00 -0.71 0.00 0.00 33.22 31.19 1k83 n MET 97 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1k83 s VAL 98 N -3.06 2.22 -0.01 2.03 0.11 -1.26 -4.95 120.40 115.49 1k83 s VAL 98 Ca 0.40 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.59 1k83 s VAL 98 Cb 0.36 -2.96 -0.04 0.00 -1.53 0.00 0.00 36.38 32.21 1k83 s VAL 98 CO 0.02 -0.04 0.04 -0.76 -3.33 0.00 0.00 175.10 171.03 1k83 s LEU 99 N -4.51 3.70 -0.17 2.54 1.43 -1.26 -3.92 118.68 116.49 1k83 s LEU 99 Ca 0.79 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.97 1k83 s LEU 99 Cb -0.34 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 43.76 1k83 s LEU 99 CO 0.40 0.28 -0.18 -0.36 0.23 0.00 0.00 176.35 176.72 1k83 s PHE 100 N -1.13 2.78 0.22 0.29 0.40 -0.04 -2.03 117.98 118.47 1k83 s PHE 100 Ca 0.21 -1.43 0.05 0.00 -0.60 0.00 0.00 56.93 55.16 1k83 s PHE 100 Cb -0.12 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.46 1k83 s PHE 100 CO 0.12 -0.70 0.32 -0.06 0.70 0.00 0.00 175.22 175.60 1k83 s PHE 101 N 1.17 3.42 -0.17 0.36 0.40 0.15 -1.98 117.98 121.34 1k83 s PHE 101 Ca 0.02 -0.00 -0.02 0.00 -0.60 0.00 0.00 56.93 56.33 1k83 s PHE 101 Cb -0.14 -1.57 0.05 0.00 0.51 0.00 0.00 43.02 41.87 1k83 s PHE 101 CO -0.08 0.47 -0.01 0.08 0.70 0.00 0.00 175.22 176.38 1k83 s VAL 102 N -1.94 0.77 0.07 -0.44 1.01 -0.38 -1.53 120.40 117.97 1k83 s VAL 102 Ca 0.34 -0.51 -0.31 0.00 0.00 0.00 0.00 61.98 61.50 1k83 s VAL 102 Cb -0.09 -1.09 -0.09 0.00 0.00 0.00 0.00 36.38 35.11 1k83 s VAL 102 CO 0.28 -0.01 1.82 0.00 0.00 0.00 0.00 175.10 177.20 1k83 n LEU 104 N 6.31 0.16 -0.07 0.00 4.77 0.50 0.53 117.00 129.22 1k83 n LEU 104 Ca 0.18 0.19 -0.17 0.00 -0.03 0.00 0.00 56.01 56.18 1k83 n LEU 104 Cb 0.40 -0.25 -0.14 0.00 -2.33 0.00 0.00 43.42 41.10 1k83 n LEU 104 CO 0.65 0.03 -1.04 -1.20 -1.33 0.00 0.00 177.39 174.50 1k83 n SER 105 N -1.19 1.58 0.00 -1.43 7.64 -1.26 -4.62 113.62 114.34 1k83 n SER 105 Ca 0.14 0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1k83 n SER 105 Cb 0.26 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1k83 n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k83 n SER 107 N -0.18 -4.61 -4.72 0.00 3.41 0.19 -4.94 113.62 102.77 1k83 n SER 107 Ca 0.00 0.22 -0.41 0.00 -0.26 0.00 0.00 58.87 58.41 1k83 n SER 107 Cb 0.38 -3.99 -0.04 0.00 -0.26 0.00 0.00 64.21 60.30 1k83 n SER 107 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1k83 s HIS 108 N -2.64 3.68 -0.31 7.33 5.65 -1.24 -4.58 115.29 123.18 1k83 s HIS 108 Ca 0.00 1.67 -0.16 0.00 0.25 0.00 0.00 55.06 56.82 1k83 s HIS 108 Cb 0.00 -3.16 -0.02 0.00 -1.18 0.00 0.00 32.58 28.22 1k83 s HIS 108 CO 0.00 -0.20 0.41 0.42 -0.65 0.00 0.00 174.74 174.73 1k83 s ILE 109 N 0.42 5.13 0.27 0.89 1.01 -1.26 -0.54 121.20 127.13 1k83 s ILE 109 Ca 0.51 0.38 0.07 0.00 0.00 0.00 0.00 60.65 61.61 1k83 s ILE 109 Cb -0.24 -3.81 -0.06 0.00 0.01 0.00 0.00 42.46 38.36 1k83 s ILE 109 CO 0.30 -0.01 -0.07 0.72 0.00 0.00 0.00 174.94 175.88 1k83 s PHE 110 N 2.15 1.95 0.35 3.97 -0.12 -0.58 -4.95 117.98 120.74 1k83 s PHE 110 Ca 0.15 -0.67 0.08 0.00 -0.05 0.00 0.00 56.93 56.44 1k83 s PHE 110 Cb -0.16 -1.08 -0.07 0.00 -0.63 0.00 0.00 43.02 41.08 1k83 s PHE 110 CO 0.11 0.31 -0.06 0.99 -0.05 0.00 0.00 175.22 176.52 1k83 s THR 111 N -2.98 2.03 -2.20 -4.49 2.01 -1.26 0.35 115.64 109.09 1k83 s THR 111 Ca 0.29 -2.13 0.20 0.00 0.31 0.00 0.00 61.69 60.35 1k83 s THR 111 Cb 0.03 -2.71 0.10 0.00 0.01 0.00 0.00 72.50 69.93 1k83 s THR 111 CO 0.12 -0.16 1.06 -1.54 -0.69 0.00 0.00 174.62 173.41 1k83 n SER 112 N -0.80 2.34 -4.59 3.53 3.41 -0.86 -4.91 113.62 111.74 1k83 n SER 112 Ca -0.05 -1.67 -0.42 0.00 -0.26 0.00 0.00 58.87 56.47 1k83 n SER 112 Cb 0.64 0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.74 1k83 n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1k83 s ASP 113 N -1.84 5.55 0.00 4.04 2.15 -1.26 -4.82 116.67 120.49 1k83 s ASP 113 Ca 0.20 1.29 0.00 0.00 0.43 0.00 0.00 52.55 54.47 1k83 s ASP 113 Cb 0.16 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 1k83 s ASP 113 CO 0.33 -1.98 0.73 0.00 -0.17 0.00 0.00 175.17 174.08 1k83 n GLN 114 N 8.67 0.82 -0.91 4.34 6.02 -1.26 -1.91 117.38 133.14 1k83 n GLN 114 Ca 0.26 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.28 1k83 n GLN 114 Cb 0.48 -1.09 0.16 0.00 1.02 0.00 0.00 30.24 30.80 1k83 n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1k83 n LYS 115 N -0.37 1.47 -1.25 -1.09 5.02 -1.26 -5.05 118.16 115.64 1k83 n LYS 115 Ca 0.00 -3.15 -0.59 0.00 -2.02 0.00 0.00 58.31 52.55 1k83 n LYS 115 Cb 0.05 -1.38 -0.12 0.00 -0.02 0.00 0.00 35.03 33.55 1k83 n LYS 115 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1k83 n ASN 116 N -0.79 0.74 -0.50 4.39 3.02 -0.80 -4.77 115.26 116.54 1k83 n ASN 116 Ca 0.18 0.67 0.06 0.00 -0.03 0.00 0.00 54.58 55.46 1k83 n ASN 116 Cb 0.80 -0.90 0.05 0.00 -0.61 0.00 0.00 39.78 39.12 1k83 n ASN 116 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1k83 n LYS 117 N 7.48 0.73 -4.33 3.52 3.00 -1.26 -5.02 118.16 122.28 1k83 n LYS 117 Ca 0.55 -1.24 -0.17 0.00 -0.00 0.00 0.00 58.31 57.44 1k83 n LYS 117 Cb -0.04 -1.24 -0.10 0.00 0.00 0.00 0.00 35.03 33.65 1k83 n LYS 117 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1k83 s ARG 118 N -1.03 1.31 -0.12 1.64 0.52 -1.26 -5.08 118.95 114.92 1k83 s ARG 118 Ca 0.15 -1.64 0.07 0.00 -0.52 0.00 0.00 55.73 53.79 1k83 s ARG 118 Cb 0.10 -0.76 -0.13 0.00 0.52 0.00 0.00 34.95 34.69 1k83 s ARG 118 CO 0.15 -0.01 -0.01 2.41 0.02 0.00 0.00 175.30 177.86 1k83 n THR 119 N -0.39 0.80 -0.06 0.02 -1.04 -1.26 -4.79 114.28 107.57 1k83 n THR 119 Ca -0.07 -0.43 -0.03 0.00 -2.04 0.00 0.00 64.05 61.48 1k83 n THR 119 Cb 0.63 -0.80 -0.15 0.00 -1.82 0.00 0.00 70.33 68.18 1k83 n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k83 n GLN 120 N -2.59 0.67 -0.86 -2.82 6.02 -1.26 -4.99 117.38 111.55 1k83 n GLN 120 Ca -0.21 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.75 1k83 n GLN 120 Cb 0.84 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 30.54 1k83 n GLN 120 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1k83 n PHE 121 N -2.63 0.00 1.74 1.08 3.01 -1.26 -5.05 117.46 114.34 1k83 n PHE 121 Ca -0.22 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.39 1k83 n PHE 121 Cb 0.95 -0.85 0.73 0.00 -0.01 0.00 0.00 39.48 40.30 1k83 n PHE 121 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64