#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nj4 h ASN 4 N 0.00 0.41 0.27 -1.43 2.35 -2.04 0.38 115.58 115.52 1nj4 h ASN 4 Ca 0.00 0.19 -0.33 0.00 -0.55 0.00 0.00 56.30 55.62 1nj4 h ASN 4 Cb 0.00 0.16 -0.06 0.00 0.05 0.00 0.00 38.32 38.48 1nj4 h ASN 4 CO 0.00 -0.22 -2.01 0.00 -1.65 0.00 0.00 177.43 173.55 1nj4 n ILE 5 N -5.01 1.52 0.42 2.81 0.13 -1.26 -3.44 119.36 114.53 1nj4 n ILE 5 Ca 0.34 -0.82 0.13 0.00 -1.10 0.00 0.00 62.75 61.30 1nj4 n ILE 5 Cb 1.15 -0.81 0.35 0.00 -0.84 0.00 0.00 39.64 39.49 1nj4 n ILE 5 CO 0.00 0.00 0.00 0.07 2.80 0.00 0.00 176.55 179.42 1nj4 h LYS 6 N 0.00 0.00 -0.03 9.51 2.10 -1.74 -3.28 116.57 123.12 1nj4 h LYS 6 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1nj4 h LYS 6 Cb 2.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.44 1nj4 h LYS 6 CO 0.06 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 177.76 1nj4 n THR 7 N -2.65 1.79 -2.85 0.07 -2.24 0.12 -5.02 114.28 103.51 1nj4 n THR 7 Ca 0.04 -2.03 -0.36 0.00 -2.27 0.00 0.00 64.05 59.43 1nj4 n THR 7 Cb 0.44 -0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.48 1nj4 n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nj4 s MET 8 N -2.58 4.48 -0.28 -0.78 0.23 -1.22 -4.98 119.30 114.16 1nj4 s MET 8 Ca 0.29 1.21 -0.15 0.00 -1.03 0.00 0.00 55.69 56.01 1nj4 s MET 8 Cb 0.25 -2.74 -0.03 0.00 -1.53 0.00 0.00 34.83 30.77 1nj4 s MET 8 CO 0.03 0.27 0.39 0.42 -2.03 0.00 0.00 175.02 174.10 1nj4 s ILE 9 N -1.67 5.16 0.51 3.16 1.09 -1.26 -5.07 121.20 123.13 1nj4 s ILE 9 Ca 0.50 0.50 -0.21 0.00 -1.10 0.00 0.00 60.65 60.34 1nj4 s ILE 9 Cb -0.17 -3.74 -0.06 0.00 -1.06 0.00 0.00 42.46 37.43 1nj4 s ILE 9 CO 0.22 0.10 1.20 -2.16 -0.10 0.00 0.00 174.94 174.20 1nj4 s PRO 10 N 2.10 3.44 0.47 2.79 0.04 -1.26 -5.01 135.00 137.58 1nj4 s PRO 10 Ca 0.15 1.85 -0.20 0.00 0.04 0.00 0.00 61.00 62.84 1nj4 s PRO 10 Cb -0.16 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 32.06 1nj4 s PRO 10 CO 0.10 -0.84 1.00 0.20 0.04 0.00 0.00 177.00 177.51 1nj4 s GLY 11 N -1.39 2.39 -0.06 0.56 0.00 -1.26 -5.04 107.32 102.53 1nj4 s GLY 11 Ca 0.69 0.47 -0.12 0.00 0.00 0.00 0.00 44.72 45.76 1nj4 s GLY 11 CO 0.36 0.77 0.31 0.14 0.00 0.00 0.00 173.10 174.67 1nj4 s VAL 12 N -2.15 5.22 0.72 1.40 1.01 -1.26 -5.07 120.40 120.27 1nj4 s VAL 12 Ca 0.64 0.60 -0.15 0.00 0.00 0.00 0.00 61.98 63.06 1nj4 s VAL 12 Cb -0.13 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.68 1nj4 s VAL 12 CO 0.19 0.57 1.21 -2.84 0.00 0.00 0.00 175.10 174.24 1nj4 s PRO 13 N -0.86 2.22 0.11 2.72 0.02 -1.26 -4.96 135.00 132.99 1nj4 s PRO 13 Ca 0.20 1.79 -0.30 0.00 0.02 0.00 0.00 61.00 62.70 1nj4 s PRO 13 Cb -0.15 -1.84 -0.06 0.00 0.02 0.00 0.00 34.50 32.47 1nj4 s PRO 13 CO 0.09 -1.78 1.15 -0.65 -0.33 0.00 0.00 177.00 175.48 1nj4 s GLN 14 N -3.84 4.50 -0.22 5.54 -1.52 -1.26 -5.02 119.66 117.84 1nj4 s GLN 14 Ca 0.75 1.75 -0.01 0.00 -1.95 0.00 0.00 55.36 55.90 1nj4 s GLN 14 Cb -0.30 -3.32 0.02 0.00 -0.22 0.00 0.00 33.01 29.20 1nj4 s GLN 14 CO 0.44 -0.11 -0.11 0.42 -0.25 0.00 0.00 175.29 175.68 1nj4 s ILE 15 N 0.48 2.63 -1.45 1.08 -1.09 -1.26 -5.03 121.20 116.57 1nj4 s ILE 15 Ca 0.54 -0.96 -0.13 0.00 -2.23 0.00 0.00 60.65 57.88 1nj4 s ILE 15 Cb -0.29 -2.26 -0.02 0.00 -1.58 0.00 0.00 42.46 38.31 1nj4 s ILE 15 CO 0.32 0.33 2.43 -0.67 -1.23 0.00 0.00 174.94 176.12 1nj4 n ASP 16 N 4.65 5.33 -3.79 3.58 4.64 -1.26 -4.81 116.55 124.89 1nj4 n ASP 16 Ca -0.18 -2.73 -0.10 0.00 -1.38 0.00 0.00 54.79 50.41 1nj4 n ASP 16 Cb 0.48 -1.57 -0.05 0.00 -1.04 0.00 0.00 41.12 38.94 1nj4 n ASP 16 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1nj4 s ALA 17 N 3.01 -0.55 0.24 -1.67 0.00 -1.26 -1.68 121.76 119.84 1nj4 s ALA 17 Ca 0.54 -0.43 0.07 0.00 0.00 0.00 0.00 51.96 52.14 1nj4 s ALA 17 Cb 0.15 0.76 0.25 0.00 0.00 0.00 0.00 23.12 24.28 1nj4 s ALA 17 CO -0.07 -0.67 1.55 0.93 0.00 0.00 0.00 175.76 177.50 1nj4 h GLU 18 N 2.42 0.13 -2.45 0.00 4.39 -0.88 -3.46 114.58 114.72 1nj4 h GLU 18 Ca -0.32 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.20 1nj4 h GLU 18 Cb 1.24 0.02 -0.20 0.00 -0.10 0.00 0.00 28.75 29.71 1nj4 h GLU 18 CO 0.46 0.73 -0.02 -1.54 -1.16 0.00 0.00 179.01 177.48 1nj4 s SER 19 N -6.87 -0.47 0.22 1.42 1.04 -0.64 -4.70 113.70 103.70 1nj4 s SER 19 Ca -0.03 0.54 -0.18 0.00 0.48 0.00 0.00 55.95 56.77 1nj4 s SER 19 Cb 0.12 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.81 1nj4 s SER 19 CO 0.79 -0.48 0.57 -0.72 0.98 0.00 0.00 173.24 174.37 1nj4 s TYR 20 N -1.01 -0.06 -0.03 5.02 -0.85 -0.68 -0.06 117.35 119.68 1nj4 s TYR 20 Ca -0.10 -0.31 -0.25 0.00 -0.52 0.00 0.00 57.07 55.88 1nj4 s TYR 20 Cb -0.03 0.44 0.05 0.00 0.38 0.00 0.00 41.96 42.80 1nj4 s TYR 20 CO 0.06 -1.01 0.54 -1.50 -1.52 0.00 0.00 175.55 172.13 1nj4 s ILE 21 N -3.91 0.02 -0.13 -3.49 2.07 -0.24 -1.94 121.20 113.58 1nj4 s ILE 21 Ca 0.12 -0.18 -0.01 0.00 -1.41 0.00 0.00 60.65 59.16 1nj4 s ILE 21 Cb -0.02 -0.87 0.04 0.00 0.13 0.00 0.00 42.46 41.74 1nj4 s ILE 21 CO 0.02 -0.10 -0.01 -0.22 -1.91 0.00 0.00 174.94 172.71 1nj4 s LEU 22 N -1.30 1.09 0.19 8.50 0.20 -0.48 -1.48 118.68 125.40 1nj4 s LEU 22 Ca -0.11 -0.46 0.08 0.00 0.69 0.00 0.00 54.13 54.33 1nj4 s LEU 22 Cb -0.02 -0.65 -0.04 0.00 -0.43 0.00 0.00 46.19 45.04 1nj4 s LEU 22 CO 0.07 -0.21 -0.17 0.27 -0.29 0.00 0.00 176.35 176.02 1nj4 s ILE 23 N 1.82 1.84 -0.08 6.68 -4.36 -0.22 -0.09 121.20 126.80 1nj4 s ILE 23 Ca 0.02 -2.06 -0.21 0.00 -0.26 0.00 0.00 60.65 58.15 1nj4 s ILE 23 Cb -0.14 -1.95 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 1nj4 s ILE 23 CO -0.07 -0.42 0.58 -0.62 0.24 0.00 0.00 174.94 174.65 1nj4 s ASP 24 N -2.97 6.85 0.25 4.36 2.15 -0.34 -0.71 116.67 126.27 1nj4 s ASP 24 Ca 0.19 1.02 -0.04 0.00 0.43 0.00 0.00 52.55 54.15 1nj4 s ASP 24 Cb -0.04 -2.35 0.31 0.00 -0.30 0.00 0.00 42.92 40.54 1nj4 s ASP 24 CO 0.07 -0.02 1.80 0.22 -0.17 0.00 0.00 175.17 177.07 1nj4 h TYR 25 N 6.54 0.99 0.17 -5.34 3.20 -1.16 0.61 116.97 121.97 1nj4 h TYR 25 Ca -0.42 -0.09 -0.27 0.00 3.14 0.00 0.00 58.73 61.09 1nj4 h TYR 25 Cb 1.19 -0.29 0.02 0.00 1.54 0.00 0.00 36.73 39.19 1nj4 h TYR 25 CO 0.64 0.80 -1.28 -0.91 -1.64 0.00 0.00 178.16 175.77 1nj4 h ASN 26 N 0.92 0.57 0.65 -2.11 2.35 -1.94 -3.38 115.58 112.64 1nj4 h ASN 26 Ca 0.20 -0.92 -0.10 0.00 -0.55 0.00 0.00 56.30 54.93 1nj4 h ASN 26 Cb 0.29 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1nj4 h ASN 26 CO -0.01 1.59 -1.43 -1.54 -1.65 0.00 0.00 177.43 174.40 1nj4 n SER 27 N -3.89 0.68 0.00 5.81 3.41 -1.23 -4.79 113.62 113.61 1nj4 n SER 27 Ca -0.19 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1nj4 n SER 27 Cb 0.95 0.57 0.00 0.00 -0.26 0.00 0.00 64.21 65.48 1nj4 n SER 27 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nj4 n GLY 28 N 1.33 1.55 3.73 5.00 0.00 0.20 -4.99 105.19 112.01 1nj4 n GLY 28 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1nj4 n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nj4 n LYS 29 N -2.00 2.65 -2.96 1.61 3.00 -1.25 -4.64 118.16 114.57 1nj4 n LYS 29 Ca 0.00 0.95 -0.43 0.00 -0.00 0.00 0.00 58.31 58.83 1nj4 n LYS 29 Cb 0.00 -2.74 -0.05 0.00 0.00 0.00 0.00 35.03 32.24 1nj4 n LYS 29 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1nj4 s VAL 30 N 0.34 4.65 0.10 3.15 1.01 -1.26 -1.20 120.40 127.20 1nj4 s VAL 30 Ca 0.68 0.51 0.06 0.00 0.00 0.00 0.00 61.98 63.24 1nj4 s VAL 30 Cb -0.52 -4.31 -0.22 0.00 0.00 0.00 0.00 36.38 31.33 1nj4 s VAL 30 CO 0.44 -0.68 1.22 -0.07 0.00 0.00 0.00 175.10 176.01 1nj4 h LEU 31 N 10.10 0.04 -7.00 3.92 3.38 -0.86 -3.48 115.31 121.41 1nj4 h LEU 31 Ca -0.25 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.71 1nj4 h LEU 31 Cb 1.09 -0.01 -0.17 0.00 0.09 0.00 0.00 40.66 41.65 1nj4 h LEU 31 CO 0.96 1.04 0.37 0.00 0.09 0.00 0.00 178.44 180.89 1nj4 s ALA 32 N -2.70 -1.78 -0.12 1.53 0.00 -1.19 -5.00 121.76 112.50 1nj4 s ALA 32 Ca 0.00 1.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.74 1nj4 s ALA 32 Cb 0.10 0.20 0.11 0.00 0.00 0.00 0.00 23.12 23.52 1nj4 s ALA 32 CO 0.83 -0.56 0.88 -1.83 0.00 0.00 0.00 175.76 175.08 1nj4 s GLU 33 N -2.43 0.77 -0.11 0.00 -1.05 -1.26 -1.38 118.70 113.23 1nj4 s GLU 33 Ca -0.01 0.21 -0.04 0.00 -0.15 0.00 0.00 54.97 54.98 1nj4 s GLU 33 Cb -0.01 0.36 0.06 0.00 -0.44 0.00 0.00 34.13 34.10 1nj4 s GLU 33 CO -0.04 -0.23 0.23 -1.14 0.95 0.00 0.00 175.26 175.03 1nj4 s GLN 34 N -1.08 0.12 -1.34 -4.83 2.00 -0.82 -4.91 119.66 108.80 1nj4 s GLN 34 Ca -0.05 0.65 -0.08 0.00 -2.00 0.00 0.00 55.36 53.88 1nj4 s GLN 34 Cb -0.00 -0.12 0.05 0.00 0.80 0.00 0.00 33.01 33.74 1nj4 s GLN 34 CO 0.04 -0.27 0.50 0.09 -0.50 0.00 0.00 175.29 175.16 1nj4 n ASN 35 N 5.12 -4.32 0.15 6.67 3.02 -1.26 -1.69 115.26 122.95 1nj4 n ASN 35 Ca -0.10 -0.34 0.12 0.00 -0.03 0.00 0.00 54.58 54.23 1nj4 n ASN 35 Cb 0.50 -3.55 0.54 0.00 -0.61 0.00 0.00 39.78 36.67 1nj4 n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nj4 h ALA 36 N 0.98 1.00 -0.01 5.41 0.00 -1.91 -2.67 119.26 122.06 1nj4 h ALA 36 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1nj4 h ALA 36 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1nj4 h ALA 36 CO 0.53 0.00 -0.06 -0.25 0.00 0.00 0.00 179.25 179.48 1nj4 n ASP 37 N -2.30 1.86 -4.72 0.00 8.00 -1.26 -1.09 116.55 117.04 1nj4 n ASP 37 Ca 0.01 -1.43 -0.42 0.00 0.71 0.00 0.00 54.79 53.66 1nj4 n ASP 37 Cb 0.17 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 1nj4 n ASP 37 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1nj4 s VAL 38 N -1.14 2.70 -0.08 2.53 1.01 -1.01 -4.90 120.40 119.51 1nj4 s VAL 38 Ca 0.13 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 1nj4 s VAL 38 Cb 0.10 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1nj4 s VAL 38 CO 0.19 0.04 1.23 -0.13 0.00 0.00 0.00 175.10 176.42 1nj4 s ARG 39 N 1.23 4.32 0.15 2.72 0.52 -1.26 -4.44 118.95 122.18 1nj4 s ARG 39 Ca 0.70 1.69 0.01 0.00 -0.52 0.00 0.00 55.73 57.61 1nj4 s ARG 39 Cb -0.43 -3.61 -0.04 0.00 0.52 0.00 0.00 34.95 31.38 1nj4 s ARG 39 CO 0.31 -0.52 0.00 1.03 0.02 0.00 0.00 175.30 176.14 1nj4 s ARG 40 N 2.57 1.00 -0.32 3.54 0.52 0.20 -4.94 118.95 121.51 1nj4 s ARG 40 Ca 0.56 -1.47 -0.29 0.00 -0.52 0.00 0.00 55.73 54.02 1nj4 s ARG 40 Cb -0.24 -0.13 0.02 0.00 0.52 0.00 0.00 34.95 35.12 1nj4 s ARG 40 CO 0.20 -0.14 1.06 0.34 0.02 0.00 0.00 175.30 176.79 1nj4 s ASP 41 N -3.11 6.91 0.00 0.23 3.68 -1.26 -0.62 116.67 122.50 1nj4 s ASP 41 Ca 0.21 1.01 0.30 0.00 2.13 0.00 0.00 52.55 56.20 1nj4 s ASP 41 Cb 0.06 -2.54 1.61 0.00 -1.45 0.00 0.00 42.92 40.60 1nj4 s ASP 41 CO 0.01 -0.87 2.07 -0.81 0.13 0.00 0.00 175.17 175.70 1nj4 n PRO 42 N 6.85 0.62 0.00 4.34 -0.04 -1.26 -4.78 135.00 140.72 1nj4 n PRO 42 Ca 0.12 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1nj4 n PRO 42 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1nj4 n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nj4 n ALA 43 N -1.18 0.00 1.42 0.55 0.00 -1.26 -1.03 120.51 119.02 1nj4 n ALA 43 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.73 1nj4 n ALA 43 Cb 0.19 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.33 1nj4 n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nj4 n SER 44 N 3.68 0.00 0.32 0.00 3.41 -1.26 -2.72 113.62 117.05 1nj4 n SER 44 Ca 0.00 -0.57 0.20 0.00 -0.26 0.00 0.00 58.87 58.24 1nj4 n SER 44 Cb 0.00 -0.08 1.06 0.00 -0.26 0.00 0.00 64.21 64.93 1nj4 n SER 44 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1nj4 h LEU 45 N 0.00 0.00 -1.19 1.04 3.38 -1.43 -1.72 115.31 115.40 1nj4 h LEU 45 Ca 0.00 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.19 1nj4 h LEU 45 Cb 0.06 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.71 1nj4 h LEU 45 CO 0.00 0.01 0.62 0.74 0.09 0.00 0.00 178.44 179.90 1nj4 h THR 46 N 0.00 0.62 0.00 0.22 2.02 -1.69 0.00 112.91 114.09 1nj4 h THR 46 Ca -0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1nj4 h THR 46 Cb 0.11 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1nj4 h THR 46 CO 0.00 0.11 0.00 0.11 0.37 0.00 0.00 175.52 176.11 1nj4 h LYS 47 N 0.58 0.00 -0.54 6.66 1.57 -1.57 0.10 116.57 123.38 1nj4 h LYS 47 Ca 0.58 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.29 1nj4 h LYS 47 Cb 1.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1nj4 h LYS 47 CO -0.34 0.00 0.08 1.98 -0.57 0.00 0.00 179.45 180.60 1nj4 h MET 48 N 0.00 0.89 -0.26 3.15 4.05 -1.17 -0.06 114.93 121.53 1nj4 h MET 48 Ca 0.00 -0.24 -0.15 0.00 -0.28 0.00 0.00 59.70 59.03 1nj4 h MET 48 Cb 0.08 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 1nj4 h MET 48 CO 0.00 0.87 -0.44 1.98 0.23 0.00 0.00 176.91 179.55 1nj4 h MET 49 N 0.78 0.64 -0.31 0.39 1.85 -0.94 -1.41 114.93 115.93 1nj4 h MET 49 Ca 0.16 -0.35 0.03 0.00 -0.61 0.00 0.00 59.70 58.94 1nj4 h MET 49 Cb 0.41 0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.42 1nj4 h MET 49 CO 0.01 0.95 0.11 1.15 -0.40 0.00 0.00 176.91 178.73 1nj4 h THR 50 N 0.52 0.91 -0.61 -0.77 2.02 -1.20 -0.88 112.91 112.90 1nj4 h THR 50 Ca 0.04 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 1nj4 h THR 50 Cb 0.97 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1nj4 h THR 50 CO 0.09 0.04 0.25 -1.28 0.37 0.00 0.00 175.52 175.00 1nj4 h SER 51 N 0.25 0.81 0.01 4.18 0.87 -0.93 -1.62 113.55 117.11 1nj4 h SER 51 Ca 0.14 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1nj4 h SER 51 Cb 0.11 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1nj4 h SER 51 CO -0.14 0.72 -0.01 0.22 -0.53 0.00 0.00 176.83 177.09 1nj4 h TYR 52 N 0.88 -0.02 -0.40 2.24 5.03 -0.42 0.30 116.97 124.58 1nj4 h TYR 52 Ca 0.21 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.53 1nj4 h TYR 52 Cb 0.16 0.01 -0.02 0.00 1.55 0.00 0.00 36.73 38.42 1nj4 h TYR 52 CO 0.01 -0.01 0.24 0.28 -1.32 0.00 0.00 178.16 177.36 1nj4 h VAL 53 N -0.02 1.06 -0.56 1.81 2.07 -1.01 -0.27 116.25 119.33 1nj4 h VAL 53 Ca 0.00 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1nj4 h VAL 53 Cb 0.02 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1nj4 h VAL 53 CO -0.00 0.09 0.32 0.40 0.02 0.00 0.00 177.57 178.40 1nj4 h ILE 54 N 0.49 1.17 -0.84 4.57 2.04 -1.06 -0.73 117.51 123.16 1nj4 h ILE 54 Ca 0.16 -0.41 0.05 0.00 1.00 0.00 0.00 64.86 65.65 1nj4 h ILE 54 Cb -0.01 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.45 1nj4 h ILE 54 CO -0.06 0.18 0.53 1.23 0.00 0.00 0.00 178.15 180.03 1nj4 h GLY 55 N 0.75 1.24 0.96 5.37 0.00 0.01 -0.60 103.07 110.81 1nj4 h GLY 55 Ca 0.20 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1nj4 h GLY 55 CO -0.04 0.30 0.06 1.46 0.00 0.00 0.00 176.54 178.33 1nj4 h GLN 56 N 0.99 0.76 -0.35 4.80 1.08 -0.40 0.23 115.11 122.22 1nj4 h GLN 56 Ca 0.35 -0.21 0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1nj4 h GLN 56 Cb 0.10 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1nj4 h GLN 56 CO -0.15 0.78 0.20 0.00 -0.95 0.00 0.00 178.83 178.72 1nj4 h ALA 57 N 0.94 0.43 -0.33 3.87 0.00 -0.65 -0.81 119.26 122.71 1nj4 h ALA 57 Ca 0.14 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1nj4 h ALA 57 Cb 0.40 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1nj4 h ALA 57 CO 0.01 -0.15 -0.12 0.52 0.00 0.00 0.00 179.25 179.51 1nj4 h MET 58 N 0.41 0.57 -0.42 0.00 2.86 -0.93 -1.30 114.93 116.13 1nj4 h MET 58 Ca 0.14 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1nj4 h MET 58 Cb 0.01 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1nj4 h MET 58 CO -0.07 0.68 0.05 -0.22 1.06 0.00 0.00 176.91 178.41 1nj4 h LYS 59 N 0.53 0.65 0.00 1.72 3.64 -0.51 -1.03 116.57 121.57 1nj4 h LYS 59 Ca 0.10 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1nj4 h LYS 59 Cb 0.52 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1nj4 h LYS 59 CO 0.03 0.64 0.00 0.00 -2.27 0.00 0.00 179.45 177.85 1nj4 n ALA 60 N -2.47 2.45 -1.25 5.00 0.00 -0.35 -4.92 120.51 118.97 1nj4 n ALA 60 Ca 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.31 1nj4 n ALA 60 Cb 0.24 -1.47 -0.00 0.00 0.00 0.00 0.00 19.45 18.22 1nj4 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nj4 n GLY 61 N 1.15 0.43 0.22 0.00 0.00 -0.39 -4.93 105.19 101.66 1nj4 n GLY 61 Ca 0.14 -1.00 0.02 0.00 0.00 0.00 0.00 46.02 45.18 1nj4 n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nj4 h LYS 62 N 0.00 0.18 -2.58 1.61 1.79 -1.47 -3.46 116.57 112.64 1nj4 h LYS 62 Ca -0.02 -0.05 0.11 0.00 -2.18 0.00 0.00 60.65 58.51 1nj4 h LYS 62 Cb 0.27 -0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 30.82 1nj4 h LYS 62 CO 0.03 0.42 0.39 -0.59 -1.08 0.00 0.00 179.45 178.61 1nj4 s PHE 63 N -4.48 -0.23 0.28 -1.35 -0.71 -1.26 -5.04 117.98 105.18 1nj4 s PHE 63 Ca -0.05 -0.07 0.05 0.00 -1.04 0.00 0.00 56.93 55.82 1nj4 s PHE 63 Cb 0.15 0.63 -0.06 0.00 -1.21 0.00 0.00 43.02 42.53 1nj4 s PHE 63 CO 0.74 -0.89 -0.01 -1.59 -1.34 0.00 0.00 175.22 172.13 1nj4 s LYS 64 N -3.47 1.52 0.56 1.99 -2.85 -1.26 -4.51 119.74 111.71 1nj4 s LYS 64 Ca 0.09 -1.79 0.25 0.00 -1.00 0.00 0.00 55.97 53.52 1nj4 s LYS 64 Cb -0.02 -0.94 1.48 0.00 -2.06 0.00 0.00 37.83 36.29 1nj4 s LYS 64 CO -0.00 -0.06 2.06 0.93 0.10 0.00 0.00 175.35 178.38 1nj4 h GLU 65 N 2.28 0.00 0.00 1.78 5.08 -1.99 -1.69 114.58 120.04 1nj4 h GLU 65 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1nj4 h GLU 65 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1nj4 h GLU 65 CO 0.67 0.00 -0.15 1.79 -1.00 0.00 0.00 179.01 180.32 1nj4 h THR 66 N 0.00 0.00 -3.61 1.13 1.35 -1.96 0.26 112.91 110.09 1nj4 h THR 66 Ca 0.14 -0.81 -0.54 0.00 -0.55 0.00 0.00 66.41 64.65 1nj4 h THR 66 Cb 0.65 1.73 0.10 0.00 -1.73 0.00 0.00 68.15 68.90 1nj4 h THR 66 CO -0.00 0.00 0.79 0.47 -0.25 0.00 0.00 175.52 176.53 1nj4 n ASP 67 N -2.74 3.73 -4.79 5.36 10.43 -0.64 -4.70 116.55 123.20 1nj4 n ASP 67 Ca 0.04 1.20 -0.38 0.00 2.57 0.00 0.00 54.79 58.21 1nj4 n ASP 67 Cb 0.50 -1.60 -0.06 0.00 1.84 0.00 0.00 41.12 41.80 1nj4 n ASP 67 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1nj4 s LEU 68 N -1.36 4.43 -0.14 0.64 1.43 -1.26 -0.80 118.68 121.62 1nj4 s LEU 68 Ca 0.58 1.05 -0.02 0.00 -1.03 0.00 0.00 54.13 54.71 1nj4 s LEU 68 Cb -0.49 -2.77 -0.02 0.00 0.03 0.00 0.00 46.19 42.93 1nj4 s LEU 68 CO 0.58 0.18 -0.08 -0.69 0.23 0.00 0.00 176.35 176.58 1nj4 s VAL 69 N -0.48 3.54 -0.31 -1.59 1.01 0.65 -4.92 120.40 118.30 1nj4 s VAL 69 Ca 0.27 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 1nj4 s VAL 69 Cb -0.17 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1nj4 s VAL 69 CO 0.15 0.52 0.42 -0.89 0.00 0.00 0.00 175.10 175.30 1nj4 s THR 70 N 0.22 5.12 0.34 3.92 2.01 -1.26 -0.78 115.64 125.21 1nj4 s THR 70 Ca -0.05 0.38 -0.28 0.00 0.31 0.00 0.00 61.69 62.05 1nj4 s THR 70 Cb -0.14 -3.82 -0.10 0.00 0.01 0.00 0.00 72.50 68.45 1nj4 s THR 70 CO 0.04 -0.03 1.29 -0.63 -0.69 0.00 0.00 174.62 174.60 1nj4 s ILE 71 N 2.17 2.77 0.00 1.82 -1.09 0.27 -4.92 121.20 122.22 1nj4 s ILE 71 Ca 0.16 0.76 0.00 0.00 -2.23 0.00 0.00 60.65 59.33 1nj4 s ILE 71 Cb -0.16 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 1nj4 s ILE 71 CO 0.11 0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.60 1nj4 n GLY 72 N 0.79 6.82 3.69 6.18 0.00 -1.26 -1.01 105.19 120.40 1nj4 n GLY 72 Ca 0.01 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 1nj4 n GLY 72 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nj4 s ASN 73 N 0.48 7.15 0.00 1.61 0.01 -1.26 -4.46 114.94 118.47 1nj4 s ASN 73 Ca 0.00 1.40 0.00 0.00 -0.71 0.00 0.00 52.86 53.55 1nj4 s ASN 73 Cb 0.00 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.15 1nj4 s ASN 73 CO 0.00 -0.35 0.00 1.17 -1.51 0.00 0.00 177.10 176.41 1nj4 n LYS 84 N 4.70 0.00 0.26 -0.60 4.81 -1.26 -5.07 118.16 121.00 1nj4 n LYS 84 Ca 0.06 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.63 1nj4 n LYS 84 Cb 0.49 0.00 0.69 0.00 0.02 0.00 0.00 35.03 36.24 1nj4 n LYS 84 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1nj4 h GLY 85 N 0.00 0.00 1.72 3.14 0.00 -1.99 -2.43 103.07 103.52 1nj4 h GLY 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1nj4 h GLY 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1nj4 n SER 86 N -3.44 0.00 -4.04 0.19 3.41 -1.26 -4.71 113.62 103.77 1nj4 n SER 86 Ca -0.01 0.09 -0.31 0.00 -0.26 0.00 0.00 58.87 58.38 1nj4 n SER 86 Cb 0.29 -0.36 -0.16 0.00 -0.26 0.00 0.00 64.21 63.71 1nj4 n SER 86 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1nj4 s SER 87 N -2.72 2.91 0.00 4.04 0.15 -0.91 -4.97 113.70 112.19 1nj4 s SER 87 Ca 0.23 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.30 1nj4 s SER 87 Cb 0.20 -1.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.24 1nj4 s SER 87 CO 0.48 -0.05 0.31 0.18 1.20 0.00 0.00 173.24 175.36 1nj4 n LEU 88 N 4.72 0.09 0.01 3.45 4.77 -1.26 -1.86 117.00 126.92 1nj4 n LEU 88 Ca -0.18 -0.04 -0.02 0.00 -0.03 0.00 0.00 56.01 55.74 1nj4 n LEU 88 Cb 0.50 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.44 1nj4 n LEU 88 CO 0.23 0.02 -0.42 0.80 -1.33 0.00 0.00 177.39 176.69 1nj4 n MET 89 N -0.30 0.63 -3.45 3.23 1.56 -1.26 -4.86 117.12 112.68 1nj4 n MET 89 Ca 0.00 0.20 -0.36 0.00 -0.27 0.00 0.00 57.70 57.26 1nj4 n MET 89 Cb 0.02 -1.77 -0.06 0.00 2.15 0.00 0.00 33.22 33.57 1nj4 n MET 89 CO 0.00 0.00 0.00 -0.06 -0.73 0.00 0.00 175.97 175.18 1nj4 s PHE 90 N -2.87 3.66 -0.01 1.12 0.40 -0.77 -4.89 117.98 114.61 1nj4 s PHE 90 Ca -0.04 0.99 -0.28 0.00 -0.60 0.00 0.00 56.93 57.00 1nj4 s PHE 90 Cb 0.09 -2.31 -0.03 0.00 0.51 0.00 0.00 43.02 41.28 1nj4 s PHE 90 CO 0.82 0.53 0.89 -0.51 0.70 0.00 0.00 175.22 177.65 1nj4 s LEU 91 N -1.61 4.37 0.15 -0.37 1.02 -1.26 -4.99 118.68 115.99 1nj4 s LEU 91 Ca 0.32 1.53 -0.22 0.00 0.02 0.00 0.00 54.13 55.78 1nj4 s LEU 91 Cb -0.16 -3.43 -0.08 0.00 0.02 0.00 0.00 46.19 42.55 1nj4 s LEU 91 CO 0.17 -0.20 0.71 -1.59 0.02 0.00 0.00 176.35 175.46 1nj4 s LYS 92 N 0.86 4.39 0.33 1.70 0.00 -1.26 -5.01 119.74 120.76 1nj4 s LYS 92 Ca 0.47 0.97 -0.29 0.00 0.00 0.00 0.00 55.97 57.12 1nj4 s LYS 92 Cb -0.20 -3.16 -0.12 0.00 0.00 0.00 0.00 37.83 34.35 1nj4 s LYS 92 CO 0.25 0.55 1.41 -2.30 0.00 0.00 0.00 175.35 175.26 1nj4 n PRO 93 N 1.41 2.37 0.00 1.78 -0.02 -1.26 -1.74 135.00 137.54 1nj4 n PRO 93 Ca -0.06 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1nj4 n PRO 93 Cb 0.50 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1nj4 n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nj4 n GLY 94 N 1.05 3.25 3.74 -1.23 0.00 -0.18 -4.98 105.19 106.84 1nj4 n GLY 94 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1nj4 n GLY 94 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1nj4 n MET 95 N -1.74 2.73 -4.04 1.61 0.00 -0.71 -4.66 117.12 110.31 1nj4 n MET 95 Ca 0.00 0.97 -0.35 0.00 0.00 0.00 0.00 57.70 58.32 1nj4 n MET 95 Cb 0.00 -2.77 -0.13 0.00 0.00 0.00 0.00 33.22 30.32 1nj4 n MET 95 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1nj4 s GLN 96 N -0.30 3.53 -0.04 2.12 -0.21 -1.26 -0.56 119.66 122.94 1nj4 s GLN 96 Ca 0.65 -0.56 0.03 0.00 0.02 0.00 0.00 55.36 55.50 1nj4 s GLN 96 Cb -0.49 -3.05 0.01 0.00 1.00 0.00 0.00 33.01 30.47 1nj4 s GLN 96 CO 0.46 -0.06 -0.11 0.08 -2.12 0.00 0.00 175.29 173.54 1nj4 s VAL 97 N 1.17 0.99 0.62 1.09 1.01 0.04 -4.90 120.40 120.42 1nj4 s VAL 97 Ca 0.03 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 1nj4 s VAL 97 Cb -0.14 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1nj4 s VAL 97 CO 0.01 0.31 1.27 -2.84 0.00 0.00 0.00 175.10 173.84 1nj4 s PRO 98 N 0.37 2.75 0.23 2.72 0.02 -1.26 -0.25 135.00 139.58 1nj4 s PRO 98 Ca -0.08 1.99 -0.07 0.00 0.02 0.00 0.00 61.00 62.86 1nj4 s PRO 98 Cb -0.12 -1.90 0.27 0.00 0.02 0.00 0.00 34.50 32.77 1nj4 s PRO 98 CO 0.02 -1.42 1.87 0.28 -0.33 0.00 0.00 177.00 177.41 1nj4 h VAL 99 N 0.73 1.11 -0.95 3.83 2.07 -0.70 -1.83 116.25 120.51 1nj4 h VAL 99 Ca -0.51 -0.35 0.24 0.00 0.82 0.00 0.00 66.70 66.90 1nj4 h VAL 99 Cb 1.32 -0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.96 1nj4 h VAL 99 CO 0.54 0.19 0.50 0.77 0.02 0.00 0.00 177.57 179.59 1nj4 h SER 100 N 1.02 0.50 0.07 0.57 4.64 -1.23 0.47 113.55 119.59 1nj4 h SER 100 Ca 0.34 0.15 -0.24 0.00 -0.47 0.00 0.00 61.79 61.57 1nj4 h SER 100 Cb 0.05 0.09 0.02 0.00 -0.31 0.00 0.00 62.40 62.24 1nj4 h SER 100 CO -0.13 0.04 -0.98 1.56 -0.87 0.00 0.00 176.83 176.45 1nj4 h GLN 101 N 0.48 0.53 -0.75 4.77 4.20 -1.63 -3.07 115.11 119.64 1nj4 h GLN 101 Ca 0.61 -0.67 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 1nj4 h GLN 101 Cb 1.18 0.21 -0.03 0.00 0.30 0.00 0.00 27.48 29.14 1nj4 h GLN 101 CO -0.51 1.28 0.33 -0.07 -0.67 0.00 0.00 178.83 179.19 1nj4 h LEU 102 N 0.10 1.02 -0.82 1.46 3.38 -0.79 -1.49 115.31 118.16 1nj4 h LEU 102 Ca -0.14 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 1nj4 h LEU 102 Cb 1.68 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 1nj4 h LEU 102 CO 0.19 0.89 -0.54 0.16 0.09 0.00 0.00 178.44 179.23 1nj4 h ILE 103 N 1.08 1.27 -0.07 1.22 3.07 -1.04 -1.51 117.51 121.52 1nj4 h ILE 103 Ca 0.25 -1.93 -0.18 0.00 1.55 0.00 0.00 64.86 64.56 1nj4 h ILE 103 Cb 0.17 2.07 -0.01 0.00 -0.27 0.00 0.00 36.82 38.79 1nj4 h ILE 103 CO -0.03 0.53 -0.72 0.03 -1.05 0.00 0.00 178.15 176.92 1nj4 h ARG 104 N 0.00 0.36 -0.53 0.16 3.08 -1.42 0.12 114.38 116.15 1nj4 h ARG 104 Ca -0.01 -0.29 0.03 0.00 0.07 0.00 0.00 59.98 59.79 1nj4 h ARG 104 Cb 1.03 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.10 1nj4 h ARG 104 CO 0.07 0.93 0.30 0.22 -1.07 0.00 0.00 179.97 180.42 1nj4 h ASP 105 N 0.24 0.46 0.01 7.04 -0.00 -0.86 0.15 116.42 123.47 1nj4 h ASP 105 Ca -0.03 0.01 -0.00 0.00 -0.00 0.00 0.00 57.03 57.02 1nj4 h ASP 105 Cb 1.28 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 40.53 1nj4 h ASP 105 CO 0.12 0.32 -0.00 0.40 -0.00 0.00 0.00 179.24 180.08 1nj4 h ILE 106 N 0.59 1.30 -0.11 2.25 2.04 -1.06 0.10 117.51 122.62 1nj4 h ILE 106 Ca 0.22 -0.94 -0.24 0.00 1.00 0.00 0.00 64.86 64.91 1nj4 h ILE 106 Cb 0.07 1.94 0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1nj4 h ILE 106 CO -0.12 0.24 -0.86 0.78 0.00 0.00 0.00 178.15 178.19 1nj4 h ASN 107 N -0.41 0.93 0.15 1.72 2.35 -0.60 -0.95 115.58 118.77 1nj4 h ASN 107 Ca -0.00 -0.65 -0.35 0.00 -0.55 0.00 0.00 56.30 54.74 1nj4 h ASN 107 Cb 0.41 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1nj4 h ASN 107 CO 0.00 1.45 -1.86 -0.07 -1.65 0.00 0.00 177.43 175.30 1nj4 h LEU 108 N 0.50 0.49 -0.43 1.61 4.07 -0.84 -3.41 115.31 117.29 1nj4 h LEU 108 Ca -0.08 -0.94 0.00 0.00 0.08 0.00 0.00 57.88 56.95 1nj4 h LEU 108 Cb 1.50 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 43.08 1nj4 h LEU 108 CO 0.17 1.82 -0.30 1.67 -1.08 0.00 0.00 178.44 180.72 1nj4 n GLN 109 N -3.57 2.89 -3.83 1.13 -0.06 -0.63 -1.17 117.38 112.13 1nj4 n GLN 109 Ca -0.29 -0.35 -0.26 0.00 -2.00 0.00 0.00 57.00 54.11 1nj4 n GLN 109 Cb 1.04 -1.01 0.02 0.00 -4.06 0.00 0.00 30.24 26.24 1nj4 n GLN 109 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1nj4 n SER 110 N -0.66 -2.83 -4.70 1.69 7.64 -0.10 -4.91 113.62 109.75 1nj4 n SER 110 Ca 0.03 -0.82 -0.42 0.00 1.01 0.00 0.00 58.87 58.67 1nj4 n SER 110 Cb 0.18 -3.88 -0.03 0.00 -1.01 0.00 0.00 64.21 59.47 1nj4 n SER 110 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1nj4 s GLY 111 N -3.86 1.88 0.03 0.23 0.00 -0.47 -4.93 107.32 100.20 1nj4 s GLY 111 Ca 0.32 1.07 -0.21 0.00 0.00 0.00 0.00 44.72 45.90 1nj4 s GLY 111 CO 0.83 2.46 1.35 3.43 0.00 0.00 0.00 173.10 181.17 1nj4 h ASN 112 N 7.28 0.30 -0.58 1.64 2.35 -1.91 -2.90 115.58 121.75 1nj4 h ASN 112 Ca -0.41 -0.46 0.06 0.00 -0.55 0.00 0.00 56.30 54.94 1nj4 h ASN 112 Cb 1.20 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 39.43 1nj4 h ASN 112 CO 0.88 0.70 0.28 0.44 -1.65 0.00 0.00 177.43 178.08 1nj4 h ASP 113 N -0.09 0.38 -0.85 5.81 3.32 -1.92 -1.69 116.42 121.38 1nj4 h ASP 113 Ca 0.02 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.16 1nj4 h ASP 113 Cb 0.60 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.08 1nj4 h ASP 113 CO 0.03 0.25 0.56 0.00 -1.72 0.00 0.00 179.24 178.36 1nj4 h ALA 114 N 1.33 1.50 -0.10 3.45 0.00 -1.90 -0.96 119.26 122.58 1nj4 h ALA 114 Ca 0.27 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1nj4 h ALA 114 Cb 0.21 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1nj4 h ALA 114 CO -0.20 0.41 0.05 0.00 0.00 0.00 0.00 179.25 179.51 1nj4 h VAL 116 N 0.07 1.20 -0.66 0.00 2.07 -1.13 -0.24 116.25 117.57 1nj4 h VAL 116 Ca 0.03 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1nj4 h VAL 116 Cb 0.06 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1nj4 h VAL 116 CO -0.01 0.22 0.30 0.00 0.02 0.00 0.00 177.57 178.11 1nj4 h ALA 117 N 1.14 0.85 -0.05 1.67 0.00 -1.07 -2.12 119.26 119.69 1nj4 h ALA 117 Ca 0.21 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1nj4 h ALA 117 Cb 0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1nj4 h ALA 117 CO -0.03 0.43 -0.55 0.52 0.00 0.00 0.00 179.25 179.61 1nj4 h MET 118 N 0.91 0.14 -0.01 0.00 2.86 -1.02 -2.00 114.93 115.81 1nj4 h MET 118 Ca 0.22 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1nj4 h MET 118 Cb 0.14 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 1nj4 h MET 118 CO -0.03 0.65 0.00 0.00 1.06 0.00 0.00 176.91 178.60 1nj4 h ALA 119 N 1.33 0.01 -0.53 6.32 0.00 -0.72 -0.23 119.26 125.45 1nj4 h ALA 119 Ca -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1nj4 h ALA 119 Cb 1.00 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1nj4 h ALA 119 CO 0.08 -0.37 0.33 -0.44 0.00 0.00 0.00 179.25 178.85 1nj4 h ASP 120 N -0.21 0.64 -0.77 0.00 3.32 -1.38 0.14 116.42 118.16 1nj4 h ASP 120 Ca 0.00 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1nj4 h ASP 120 Cb 0.24 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1nj4 h ASP 120 CO 0.00 0.50 0.35 0.15 -1.72 0.00 0.00 179.24 178.52 1nj4 h PHE 121 N 0.72 1.12 0.04 4.55 3.57 -1.23 0.76 116.94 126.48 1nj4 h PHE 121 Ca 0.19 -0.06 -0.28 0.00 3.53 0.00 0.00 57.97 61.34 1nj4 h PHE 121 Cb -0.02 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.34 1nj4 h PHE 121 CO -0.03 0.83 -1.53 0.00 -2.23 0.00 0.00 178.31 175.35 1nj4 h ALA 122 N 1.18 0.52 0.00 2.41 0.00 -0.90 -3.41 119.26 119.06 1nj4 h ALA 122 Ca 0.26 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1nj4 h ALA 122 Cb 0.15 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1nj4 h ALA 122 CO -0.03 1.38 0.00 0.00 0.00 0.00 0.00 179.25 180.60 1nj4 n ALA 123 N -2.58 1.47 0.00 0.00 0.00 0.48 -5.03 120.51 114.85 1nj4 n ALA 123 Ca -0.14 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1nj4 n ALA 123 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.48 1nj4 n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nj4 n GLY 124 N 0.02 2.55 3.31 0.00 0.00 0.26 -4.66 105.19 106.68 1nj4 n GLY 124 Ca 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 1nj4 n GLY 124 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nj4 s SER 125 N 0.20 -0.23 0.17 1.61 1.04 -1.26 -4.76 113.70 110.46 1nj4 s SER 125 Ca 0.00 -0.27 -0.13 0.00 0.48 0.00 0.00 55.95 56.03 1nj4 s SER 125 Cb 0.00 0.46 0.06 0.00 0.10 0.00 0.00 66.02 66.64 1nj4 s SER 125 CO 0.00 -0.81 1.74 1.56 0.98 0.00 0.00 173.24 176.71 1nj4 h GLN 126 N 2.50 0.81 -0.50 4.02 4.20 -1.91 -0.79 115.11 123.43 1nj4 h GLN 126 Ca -0.33 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.18 1nj4 h GLN 126 Cb 1.24 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.86 1nj4 h GLN 126 CO 0.47 0.67 0.03 -0.44 -0.67 0.00 0.00 178.83 178.89 1nj4 h ASP 127 N 0.75 0.78 -0.28 1.46 3.32 -1.97 0.28 116.42 120.77 1nj4 h ASP 127 Ca 0.19 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1nj4 h ASP 127 Cb 0.14 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1nj4 h ASP 127 CO -0.02 0.83 -0.23 0.00 -1.72 0.00 0.00 179.24 178.10 1nj4 h ALA 128 N 1.26 0.89 -0.61 3.45 0.00 -1.82 -1.59 119.26 120.83 1nj4 h ALA 128 Ca 0.15 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1nj4 h ALA 128 Cb 0.42 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1nj4 h ALA 128 CO 0.02 0.63 0.26 0.35 0.00 0.00 0.00 179.25 180.50 1nj4 h PHE 129 N 0.66 0.92 -0.87 0.00 3.57 -0.49 -2.23 116.94 118.50 1nj4 h PHE 129 Ca 0.09 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1nj4 h PHE 129 Cb 0.73 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 1nj4 h PHE 129 CO 0.04 0.72 0.50 0.28 -2.23 0.00 0.00 178.31 177.62 1nj4 h VAL 130 N 0.85 1.25 -0.91 1.41 2.07 -0.72 -0.76 116.25 119.44 1nj4 h VAL 130 Ca 0.21 -0.57 0.07 0.00 0.82 0.00 0.00 66.70 67.23 1nj4 h VAL 130 Cb 0.17 0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 29.92 1nj4 h VAL 130 CO -0.02 0.27 0.57 1.23 0.02 0.00 0.00 177.57 179.63 1nj4 h GLY 131 N 1.22 1.40 1.05 2.17 0.00 -0.89 0.55 103.07 108.57 1nj4 h GLY 131 Ca 0.31 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 1nj4 h GLY 131 CO -0.05 0.25 0.01 1.41 0.00 0.00 0.00 176.54 178.16 1nj4 h LEU 132 N 1.00 0.96 -0.34 3.11 3.38 -0.70 0.30 115.31 123.03 1nj4 h LEU 132 Ca 0.41 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 58.11 1nj4 h LEU 132 Cb 0.24 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1nj4 h LEU 132 CO -0.20 1.03 0.15 0.24 0.09 0.00 0.00 178.44 179.75 1nj4 h MET 133 N 0.86 0.30 0.00 1.13 2.86 -0.22 -1.37 114.93 118.49 1nj4 h MET 133 Ca 0.16 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 1nj4 h MET 133 Cb 0.53 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1nj4 h MET 133 CO 0.03 0.20 -0.19 -0.91 1.06 0.00 0.00 176.91 177.09 1nj4 h ASN 134 N 0.31 0.00 -0.11 1.22 2.35 -0.73 -1.94 115.58 116.68 1nj4 h ASN 134 Ca 0.15 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.73 1nj4 h ASN 134 Cb 0.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1nj4 h ASN 134 CO -0.12 0.19 -0.50 0.28 -1.65 0.00 0.00 177.43 175.63 1nj4 h SER 135 N 0.00 0.75 0.25 5.81 0.02 -0.51 -2.65 113.55 117.23 1nj4 h SER 135 Ca -0.00 -0.38 -0.14 0.00 -0.84 0.00 0.00 61.79 60.42 1nj4 h SER 135 Cb 0.83 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1nj4 h SER 135 CO 0.02 1.12 -0.55 1.88 -1.14 0.00 0.00 176.83 178.16 1nj4 h TYR 136 N 0.54 0.40 -0.32 3.45 0.99 -0.92 -0.39 116.97 120.71 1nj4 h TYR 136 Ca 0.02 -0.14 0.06 0.00 2.00 0.00 0.00 58.73 60.67 1nj4 h TYR 136 Cb 1.06 -0.08 -0.06 0.00 1.00 0.00 0.00 36.73 38.66 1nj4 h TYR 136 CO 0.05 0.80 -0.05 0.28 -0.00 0.00 0.00 178.16 179.24 1nj4 h VAL 137 N 0.24 0.71 -0.28 -2.88 2.07 -1.26 0.94 116.25 115.78 1nj4 h VAL 137 Ca 0.00 -0.01 -0.15 0.00 0.82 0.00 0.00 66.70 67.36 1nj4 h VAL 137 Cb 1.05 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1nj4 h VAL 137 CO 0.09 0.01 -0.42 0.78 0.02 0.00 0.00 177.57 178.05 1nj4 h ASN 138 N 0.04 0.75 0.17 0.57 2.35 -1.21 -1.83 115.58 116.41 1nj4 h ASN 138 Ca 0.16 -0.34 -0.04 0.00 -0.55 0.00 0.00 56.30 55.52 1nj4 h ASN 138 Cb 0.23 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1nj4 h ASN 138 CO -0.30 1.07 -0.17 0.00 -1.65 0.00 0.00 177.43 176.37 1nj4 h ALA 139 N 0.96 1.70 -0.01 -0.83 0.00 -0.53 -1.95 119.26 118.60 1nj4 h ALA 139 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1nj4 h ALA 139 Cb 0.96 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1nj4 h ALA 139 CO 0.09 0.23 -0.04 1.28 0.00 0.00 0.00 179.25 180.81 1nj4 n LEU 140 N -4.32 1.05 -1.06 0.00 4.77 0.27 -4.93 117.00 112.78 1nj4 n LEU 140 Ca -0.02 -0.32 -0.11 0.00 -0.03 0.00 0.00 56.01 55.53 1nj4 n LEU 140 Cb 0.24 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1nj4 n LEU 140 CO 0.36 0.18 -0.12 0.61 -1.33 0.00 0.00 177.39 177.09 1nj4 n GLY 141 N 1.17 0.50 3.69 -0.72 0.00 -0.73 -4.99 105.19 104.11 1nj4 n GLY 141 Ca 0.19 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1nj4 n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nj4 s LEU 142 N -2.83 4.27 0.00 0.99 1.43 -0.71 -4.94 118.68 116.89 1nj4 s LEU 142 Ca 0.00 1.76 0.22 0.00 -1.03 0.00 0.00 54.13 55.09 1nj4 s LEU 142 Cb 0.00 -3.56 -0.06 0.00 0.03 0.00 0.00 46.19 42.60 1nj4 s LEU 142 CO 0.00 -0.57 1.03 0.29 0.23 0.00 0.00 176.35 177.33 1nj4 n LYS 143 N 5.25 0.64 -2.64 1.70 4.76 -1.26 -4.51 118.16 122.10 1nj4 n LYS 143 Ca 0.11 -0.52 -0.06 0.00 -2.87 0.00 0.00 58.31 54.96 1nj4 n LYS 143 Cb 0.46 -1.49 0.04 0.00 -1.84 0.00 0.00 35.03 32.21 1nj4 n LYS 143 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1nj4 n ASN 144 N -0.72 2.37 -3.86 4.39 3.02 -1.26 -5.06 115.26 114.14 1nj4 n ASN 144 Ca 0.07 -2.47 -0.15 0.00 -0.03 0.00 0.00 54.58 52.00 1nj4 n ASN 144 Cb 0.40 -0.45 -0.15 0.00 -0.61 0.00 0.00 39.78 38.97 1nj4 n ASN 144 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1nj4 s THR 145 N -3.98 0.18 -0.16 3.41 2.01 -1.26 -3.49 115.64 112.35 1nj4 s THR 145 Ca 0.33 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.20 1nj4 s THR 145 Cb 0.35 -0.22 0.04 0.00 0.01 0.00 0.00 72.50 72.68 1nj4 s THR 145 CO -0.02 0.10 0.40 -2.28 -0.69 0.00 0.00 174.62 172.13 1nj4 s HIS 146 N 0.53 -0.48 0.15 4.92 5.04 -0.08 -4.98 115.29 120.39 1nj4 s HIS 146 Ca -0.05 1.13 0.07 0.00 -1.54 0.00 0.00 55.06 54.67 1nj4 s HIS 146 Cb -0.08 0.18 -0.04 0.00 0.04 0.00 0.00 32.58 32.68 1nj4 s HIS 146 CO -0.01 -0.25 -0.05 -0.06 -2.34 0.00 0.00 174.74 172.03 1nj4 s PHE 147 N 0.58 2.77 0.00 3.88 0.40 -1.26 -1.76 117.98 122.60 1nj4 s PHE 147 Ca -0.03 -0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.15 1nj4 s PHE 147 Cb -0.05 -1.38 0.00 0.00 0.51 0.00 0.00 43.02 42.10 1nj4 s PHE 147 CO -0.04 0.49 0.00 1.04 0.70 0.00 0.00 175.22 177.42 1nj4 n GLN 148 N 0.18 0.71 -4.38 0.44 6.02 -1.26 -4.95 117.38 114.14 1nj4 n GLN 148 Ca -0.11 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.69 1nj4 n GLN 148 Cb 0.54 -0.98 -0.10 0.00 1.02 0.00 0.00 30.24 30.72 1nj4 n GLN 148 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1nj4 s THR 149 N -1.97 1.53 -1.24 5.09 -4.23 -1.26 -4.93 115.64 108.63 1nj4 s THR 149 Ca 0.00 -2.13 0.29 0.00 -1.18 0.00 0.00 61.69 58.68 1nj4 s THR 149 Cb 0.00 -2.29 0.36 0.00 1.34 0.00 0.00 72.50 71.91 1nj4 s THR 149 CO 0.00 -0.40 1.94 1.33 -0.54 0.00 0.00 174.62 176.94 1nj4 n VAL 150 N -0.48 0.00 0.00 2.29 0.24 -1.26 -3.78 118.33 115.34 1nj4 n VAL 150 Ca -0.06 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1nj4 n VAL 150 Cb 0.63 -0.41 0.00 0.00 -1.47 0.00 0.00 33.84 32.59 1nj4 n VAL 150 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nj4 n HIS 151 N -1.35 0.00 -2.35 6.34 -0.00 -1.26 -4.62 115.22 111.97 1nj4 n HIS 151 Ca 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 57.72 57.82 1nj4 n HIS 151 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.28 1nj4 n HIS 151 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1nj4 n GLY 152 N 1.43 0.74 0.63 -1.39 0.00 -1.25 -4.66 105.19 100.69 1nj4 n GLY 152 Ca 0.00 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 1nj4 n GLY 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nj4 n LEU 153 N -0.42 1.04 -2.71 0.99 4.32 -1.26 -4.66 117.00 114.29 1nj4 n LEU 153 Ca -0.00 0.17 -0.37 0.00 -0.02 0.00 0.00 56.01 55.78 1nj4 n LEU 153 Cb 0.50 -0.40 0.05 0.00 -1.62 0.00 0.00 43.42 41.95 1nj4 n LEU 153 CO 0.01 0.00 1.40 0.47 -1.22 0.00 0.00 177.39 178.05 1nj4 n ASP 154 N -3.65 7.33 -3.08 -1.43 10.43 -1.26 -4.63 116.55 120.26 1nj4 n ASP 154 Ca -0.18 -3.82 -0.16 0.00 2.57 0.00 0.00 54.79 53.20 1nj4 n ASP 154 Cb 0.53 -0.99 -0.01 0.00 1.84 0.00 0.00 41.12 42.49 1nj4 n ASP 154 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1nj4 n ALA 155 N -0.64 1.92 0.12 2.24 0.00 -1.26 -4.88 120.51 118.00 1nj4 n ALA 155 Ca 0.55 -3.17 0.19 0.00 0.00 0.00 0.00 53.44 51.00 1nj4 n ALA 155 Cb 0.39 -0.95 0.62 0.00 0.00 0.00 0.00 19.45 19.51 1nj4 n ALA 155 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nj4 h ASP 156 N 2.99 0.00 0.00 0.00 3.45 -1.95 -0.23 116.42 120.67 1nj4 h ASP 156 Ca 0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.51 1nj4 h ASP 156 Cb 1.01 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.78 1nj4 h ASP 156 CO 0.46 0.00 -0.10 0.61 -1.57 0.00 0.00 179.24 178.64 1nj4 n GLY 157 N -1.47 0.42 3.77 2.75 0.00 -1.26 -4.95 105.19 104.45 1nj4 n GLY 157 Ca 0.07 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 1nj4 n GLY 157 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1nj4 s GLN 158 N -2.12 3.97 0.03 1.61 -2.07 -0.10 -4.95 119.66 116.03 1nj4 s GLN 158 Ca 0.29 2.22 -0.12 0.00 -1.82 0.00 0.00 55.36 55.93 1nj4 s GLN 158 Cb 0.20 -2.78 0.01 0.00 -1.09 0.00 0.00 33.01 29.35 1nj4 s GLN 158 CO 0.37 -0.52 0.25 1.52 -1.32 0.00 0.00 175.29 175.60 1nj4 s TYR 159 N -1.24 -0.04 0.00 9.60 1.13 -0.72 -4.39 117.35 121.69 1nj4 s TYR 159 Ca 0.57 -0.09 0.00 0.00 -1.41 0.00 0.00 57.07 56.13 1nj4 s TYR 159 Cb -0.39 0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.50 1nj4 s TYR 159 CO 0.51 -0.45 0.00 0.45 -2.51 0.00 0.00 175.55 173.55 1nj4 n SER 160 N 0.76 0.00 -4.03 -0.18 2.88 0.21 -0.90 113.62 112.36 1nj4 n SER 160 Ca -0.19 -0.43 -0.09 0.00 -1.33 0.00 0.00 58.87 56.83 1nj4 n SER 160 Cb 0.59 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.99 1nj4 n SER 160 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1nj4 s SER 161 N 0.52 -0.06 0.17 -3.46 1.04 -1.25 -0.63 113.70 110.03 1nj4 s SER 161 Ca 0.00 -0.99 -0.15 0.00 0.48 0.00 0.00 55.95 55.29 1nj4 s SER 161 Cb 0.00 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.74 1nj4 s SER 161 CO 0.00 -1.10 1.82 0.00 0.98 0.00 0.00 173.24 174.93 1nj4 h ALA 162 N 2.30 0.59 -0.17 5.32 0.00 -1.73 -0.98 119.26 124.59 1nj4 h ALA 162 Ca -0.27 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1nj4 h ALA 162 Cb 1.25 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1nj4 h ALA 162 CO 0.38 -0.00 0.09 -0.09 0.00 0.00 0.00 179.25 179.63 1nj4 h ARG 163 N 0.59 0.24 -0.54 0.00 2.43 -1.44 -1.91 114.38 113.75 1nj4 h ARG 163 Ca 0.18 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1nj4 h ARG 163 Cb -0.02 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1nj4 h ARG 163 CO -0.06 0.25 0.04 -0.44 -1.51 0.00 0.00 179.97 178.24 1nj4 h ASP 164 N 0.18 0.86 -0.26 -3.80 3.45 -1.73 -0.98 116.42 114.14 1nj4 h ASP 164 Ca 0.06 -0.20 -0.14 0.00 0.43 0.00 0.00 57.03 57.18 1nj4 h ASP 164 Cb 0.07 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.61 1nj4 h ASP 164 CO -0.01 0.90 -0.34 0.24 -1.57 0.00 0.00 179.24 178.46 1nj4 h MET 165 N 0.84 0.78 -0.63 3.56 2.86 -1.11 0.02 114.93 121.24 1nj4 h MET 165 Ca 0.16 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 1nj4 h MET 165 Cb 0.44 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1nj4 h MET 165 CO 0.02 1.00 0.31 0.00 1.06 0.00 0.00 176.91 179.30 1nj4 h ALA 166 N 0.96 0.82 -0.41 6.32 0.00 -1.03 -0.71 119.26 125.21 1nj4 h ALA 166 Ca 0.07 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1nj4 h ALA 166 Cb 0.88 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1nj4 h ALA 166 CO 0.08 0.37 -0.02 -0.07 0.00 0.00 0.00 179.25 179.61 1nj4 h LEU 167 N 0.87 0.64 -0.61 0.00 3.38 -0.87 0.11 115.31 118.83 1nj4 h LEU 167 Ca 0.22 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1nj4 h LEU 167 Cb 0.10 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1nj4 h LEU 167 CO -0.03 0.72 -0.03 0.40 0.09 0.00 0.00 178.44 179.60 1nj4 h ILE 168 N 0.63 1.27 -0.43 1.22 2.04 -0.70 -0.46 117.51 121.08 1nj4 h ILE 168 Ca 0.13 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.81 1nj4 h ILE 168 Cb 0.42 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1nj4 h ILE 168 CO 0.02 0.43 0.28 1.23 0.00 0.00 0.00 178.15 180.10 1nj4 h GLY 169 N 0.98 0.61 1.00 5.37 0.00 -0.51 -0.34 103.07 110.19 1nj4 h GLY 169 Ca 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1nj4 h GLY 169 CO 0.04 0.23 0.40 -1.61 0.00 0.00 0.00 176.54 175.60 1nj4 h GLN 170 N 0.58 0.82 -0.77 4.80 4.15 -0.57 -2.41 115.11 121.70 1nj4 h GLN 170 Ca 0.16 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 1nj4 h GLN 170 Cb -0.04 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.43 1nj4 h GLN 170 CO -0.03 0.55 0.33 0.00 -1.93 0.00 0.00 178.83 177.74 1nj4 h ALA 171 N 1.22 1.00 0.27 3.38 0.00 -0.64 -0.12 119.26 124.37 1nj4 h ALA 171 Ca 0.23 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1nj4 h ALA 171 Cb -0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 1nj4 h ALA 171 CO -0.05 0.61 -0.33 -0.07 0.00 0.00 0.00 179.25 179.41 1nj4 h LEU 172 N 1.11 -0.91 -0.47 0.00 3.38 -0.79 0.53 115.31 118.16 1nj4 h LEU 172 Ca 0.26 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.36 1nj4 h LEU 172 Cb 0.18 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1nj4 h LEU 172 CO -0.02 -0.45 0.24 0.40 0.09 0.00 0.00 178.44 178.69 1nj4 h ILE 173 N -0.65 0.97 0.00 1.22 2.04 -1.31 -1.70 117.51 118.08 1nj4 h ILE 173 Ca -0.00 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1nj4 h ILE 173 Cb 0.61 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1nj4 h ILE 173 CO -0.10 0.09 -0.00 -0.09 0.00 0.00 0.00 178.15 178.04 1nj4 h ARG 174 N 0.47 -0.00 0.09 2.37 2.43 -0.84 -3.35 114.38 115.55 1nj4 h ARG 174 Ca 0.20 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 59.07 1nj4 h ARG 174 Cb 0.11 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1nj4 h ARG 174 CO -0.14 0.69 -1.61 -0.44 -1.51 0.00 0.00 179.97 176.96 1nj4 h ASP 175 N -0.70 0.30 -2.36 -3.80 3.45 0.01 -3.41 116.42 109.92 1nj4 h ASP 175 Ca -0.00 -0.48 -0.59 0.00 0.43 0.00 0.00 57.03 56.39 1nj4 h ASP 175 Cb 0.69 -0.10 -0.41 0.00 -0.56 0.00 0.00 39.33 38.96 1nj4 h ASP 175 CO 0.00 1.41 -0.77 1.33 -1.57 0.00 0.00 179.24 179.65 1nj4 n VAL 176 N -3.38 0.99 0.23 -1.35 0.24 -0.64 -4.94 118.33 109.48 1nj4 n VAL 176 Ca -0.18 -4.62 0.06 0.00 -2.04 0.00 0.00 64.34 57.56 1nj4 n VAL 176 Cb 1.04 -2.03 0.51 0.00 -1.47 0.00 0.00 33.84 31.90 1nj4 n VAL 176 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1nj4 h PRO 177 N 4.58 0.00 -0.21 7.34 0.14 -1.69 -0.75 132.00 141.40 1nj4 h PRO 177 Ca 0.17 0.00 -0.14 0.00 0.14 0.00 0.00 66.00 66.16 1nj4 h PRO 177 Cb 0.77 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.90 1nj4 h PRO 177 CO 0.66 0.18 -0.46 -0.91 0.14 0.00 0.00 178.00 177.61 1nj4 h ASN 178 N 0.00 0.59 -0.23 1.44 2.35 -1.92 -1.46 115.58 116.36 1nj4 h ASN 178 Ca -0.00 -0.28 -0.07 0.00 -0.55 0.00 0.00 56.30 55.40 1nj4 h ASN 178 Cb 0.33 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1nj4 h ASN 178 CO 0.02 0.97 -0.12 -0.08 -1.65 0.00 0.00 177.43 176.58 1nj4 h GLU 179 N 0.44 0.49 -0.61 0.81 4.57 -1.69 -3.26 114.58 115.33 1nj4 h GLU 179 Ca 0.03 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 1nj4 h GLU 179 Cb 0.98 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.53 1nj4 h GLU 179 CO 0.09 0.76 0.40 -0.92 -1.18 0.00 0.00 179.01 178.15 1nj4 h TYR 180 N 0.20 0.78 -0.37 0.92 3.20 -0.97 -2.54 116.97 118.19 1nj4 h TYR 180 Ca 0.05 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.04 1nj4 h TYR 180 Cb 0.62 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1nj4 h TYR 180 CO 0.06 0.50 0.36 0.77 -1.64 0.00 0.00 178.16 178.21 1nj4 h SER 181 N 0.83 0.00 0.48 -2.11 0.02 -1.30 -1.41 113.55 110.05 1nj4 h SER 181 Ca 0.22 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.09 1nj4 h SER 181 Cb -0.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1nj4 h SER 181 CO -0.05 0.00 -0.42 0.40 -1.14 0.00 0.00 176.83 175.62 1nj4 h ILE 182 N 0.00 1.24 0.00 3.27 2.04 -1.59 -3.28 117.51 119.19 1nj4 h ILE 182 Ca 0.18 -1.47 -0.00 0.00 1.00 0.00 0.00 64.86 64.57 1nj4 h ILE 182 Cb 0.89 1.80 -0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1nj4 h ILE 182 CO -0.00 0.41 -0.01 1.88 0.00 0.00 0.00 178.15 180.43 1nj4 h TYR 183 N 0.00 0.00 -0.01 1.37 -1.99 -1.42 -1.61 116.97 113.31 1nj4 h TYR 183 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1nj4 h TYR 183 Cb 0.77 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.50 1nj4 h TYR 183 CO 0.00 0.01 -0.15 0.36 -0.00 0.00 0.00 178.16 178.39 1nj4 n LYS 184 N -3.45 0.93 -2.10 4.88 2.85 -1.21 -4.63 118.16 115.43 1nj4 n LYS 184 Ca -0.03 -0.45 -0.43 0.00 -1.05 0.00 0.00 58.31 56.35 1nj4 n LYS 184 Cb 0.10 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 32.97 1nj4 n LYS 184 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1nj4 s GLU 185 N -2.38 4.09 0.47 -1.58 2.02 -0.61 -4.88 118.70 115.83 1nj4 s GLU 185 Ca 0.29 1.98 0.27 0.00 0.02 0.00 0.00 54.97 57.53 1nj4 s GLU 185 Cb 0.20 -3.97 0.84 0.00 0.10 0.00 0.00 34.13 31.31 1nj4 s GLU 185 CO 0.46 -0.94 1.79 0.87 0.02 0.00 0.00 175.26 177.46 1nj4 h LYS 186 N 9.65 0.00 -2.68 1.61 1.57 -1.89 -3.40 116.57 121.43 1nj4 h LYS 186 Ca -0.36 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.36 1nj4 h LYS 186 Cb 1.16 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.31 1nj4 h LYS 186 CO 0.97 0.09 0.06 -2.00 -0.57 0.00 0.00 179.45 178.00 1nj4 s GLU 187 N -3.46 1.04 0.22 3.15 2.12 -1.26 -0.68 118.70 119.82 1nj4 s GLU 187 Ca 0.03 -0.17 -0.19 0.00 0.36 0.00 0.00 54.97 55.00 1nj4 s GLU 187 Cb 0.08 0.48 0.03 0.00 0.26 0.00 0.00 34.13 34.97 1nj4 s GLU 187 CO 0.62 -0.37 0.59 -0.59 -0.54 0.00 0.00 175.26 174.97 1nj4 s PHE 188 N -2.28 -0.15 -0.27 5.30 -0.71 -0.67 -4.97 117.98 114.24 1nj4 s PHE 188 Ca -0.06 -0.21 -0.04 0.00 -1.04 0.00 0.00 56.93 55.57 1nj4 s PHE 188 Cb -0.01 0.49 0.02 0.00 -1.21 0.00 0.00 43.02 42.31 1nj4 s PHE 188 CO -0.00 -1.01 0.02 0.99 -1.34 0.00 0.00 175.22 173.87 1nj4 s THR 189 N -3.88 3.49 -0.39 -4.49 2.01 -1.26 -0.34 115.64 110.77 1nj4 s THR 189 Ca 0.10 -0.83 -0.16 0.00 0.31 0.00 0.00 61.69 61.10 1nj4 s THR 189 Cb -0.02 -2.79 0.01 0.00 0.01 0.00 0.00 72.50 69.71 1nj4 s THR 189 CO -0.00 0.13 0.39 0.12 -0.69 0.00 0.00 174.62 174.58 1nj4 s PHE 190 N 1.42 3.19 -1.28 4.92 5.36 0.43 -4.59 117.98 127.42 1nj4 s PHE 190 Ca 0.01 -0.29 -0.24 0.00 -0.96 0.00 0.00 56.93 55.45 1nj4 s PHE 190 Cb -0.17 -2.78 0.03 0.00 -0.34 0.00 0.00 43.02 39.76 1nj4 s PHE 190 CO -0.01 -0.60 0.55 -1.71 -1.46 0.00 0.00 175.22 171.99 1nj4 n ASN 191 N 5.47 -3.06 0.00 6.13 4.05 -1.26 -1.44 115.26 125.15 1nj4 n ASN 191 Ca -0.08 -1.24 0.00 0.00 0.45 0.00 0.00 54.58 53.71 1nj4 n ASN 191 Cb 0.48 -2.01 0.00 0.00 1.23 0.00 0.00 39.78 39.48 1nj4 n ASN 191 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1nj4 n GLY 192 N -2.12 2.05 3.32 8.20 0.00 -1.26 -5.02 105.19 110.37 1nj4 n GLY 192 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1nj4 n GLY 192 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nj4 s ILE 193 N -2.66 2.84 0.06 -0.61 1.01 -0.52 -5.09 121.20 116.23 1nj4 s ILE 193 Ca 0.00 -0.73 -0.31 0.00 0.00 0.00 0.00 60.65 59.62 1nj4 s ILE 193 Cb 0.00 -2.19 -0.06 0.00 0.01 0.00 0.00 42.46 40.23 1nj4 s ILE 193 CO 0.00 0.52 1.20 -0.60 0.00 0.00 0.00 174.94 176.07 1nj4 s ARG 194 N 0.49 4.43 0.05 2.79 6.06 -1.26 -0.43 118.95 131.08 1nj4 s ARG 194 Ca -0.10 1.77 0.06 0.00 -2.50 0.00 0.00 55.73 54.96 1nj4 s ARG 194 Cb -0.16 -3.35 -0.02 0.00 0.06 0.00 0.00 34.95 31.47 1nj4 s ARG 194 CO 0.04 -0.26 -0.18 -0.65 -2.50 0.00 0.00 175.30 171.75 1nj4 s GLN 195 N 1.09 1.14 0.19 5.12 -1.52 0.54 -4.94 119.66 121.28 1nj4 s GLN 195 Ca 0.59 -0.88 -0.01 0.00 -1.95 0.00 0.00 55.36 53.11 1nj4 s GLN 195 Cb -0.29 -1.22 -0.04 0.00 -0.22 0.00 0.00 33.01 31.23 1nj4 s GLN 195 CO 0.29 0.30 0.37 -0.51 -0.25 0.00 0.00 175.29 175.50 1nj4 s LEU 196 N -1.26 4.24 0.11 2.90 1.43 -1.26 -1.66 118.68 123.18 1nj4 s LEU 196 Ca 0.04 0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 53.22 1nj4 s LEU 196 Cb -0.09 -3.14 -0.07 0.00 0.03 0.00 0.00 46.19 42.93 1nj4 s LEU 196 CO 0.02 -0.02 1.22 0.21 0.23 0.00 0.00 176.35 178.01 1nj4 s ASN 197 N -3.12 7.05 0.02 2.29 3.84 0.14 -4.50 114.94 120.67 1nj4 s ASN 197 Ca 0.38 2.12 0.24 0.00 0.21 0.00 0.00 52.86 55.81 1nj4 s ASN 197 Cb -0.11 -2.59 1.02 0.00 -0.55 0.00 0.00 41.25 39.02 1nj4 s ASN 197 CO 0.29 -0.46 1.77 0.54 -2.79 0.00 0.00 177.10 176.45 1nj4 n ARG 198 N 3.49 0.03 -2.67 0.43 1.74 -0.32 -4.58 116.66 114.77 1nj4 n ARG 198 Ca 0.08 0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.84 1nj4 n ARG 198 Cb 0.45 -1.53 -0.02 0.00 -1.02 0.00 0.00 32.46 30.33 1nj4 n ARG 198 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1nj4 s ASN 199 N -3.15 6.60 0.53 0.55 2.47 -1.26 -4.86 114.94 115.82 1nj4 s ASN 199 Ca 0.11 -1.80 0.25 0.00 0.42 0.00 0.00 52.86 51.85 1nj4 s ASN 199 Cb 0.15 -2.52 1.38 0.00 -1.45 0.00 0.00 41.25 38.82 1nj4 s ASN 199 CO 0.45 -1.32 1.98 1.23 -3.72 0.00 0.00 177.10 175.72 1nj4 h GLY 200 N 12.05 0.04 2.00 1.21 0.00 -2.01 -2.14 103.07 114.21 1nj4 h GLY 200 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1nj4 h GLY 200 CO 1.35 0.00 0.00 1.41 0.00 0.00 0.00 176.54 179.30 1nj4 h LEU 201 N 0.02 0.00 -2.06 3.11 3.38 -1.97 -1.23 115.31 116.56 1nj4 h LEU 201 Ca 0.27 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.28 1nj4 h LEU 201 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1nj4 h LEU 201 CO -0.01 0.00 0.11 -0.07 0.09 0.00 0.00 178.44 178.56 1nj4 h LEU 202 N 0.00 0.00 -0.56 1.67 3.38 -1.64 -1.34 115.31 116.81 1nj4 h LEU 202 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nj4 h LEU 202 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1nj4 h LEU 202 CO 0.00 0.00 -0.08 0.79 0.09 0.00 0.00 178.44 179.24 1nj4 n TRP 203 N -4.39 0.00 -2.40 1.13 8.01 -0.47 -4.86 117.44 114.47 1nj4 n TRP 203 Ca 0.00 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.77 1nj4 n TRP 203 Cb 0.23 -0.07 -0.02 0.00 -2.01 0.00 0.00 31.31 29.44 1nj4 n TRP 203 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1nj4 s ASP 204 N -2.22 6.91 0.00 -0.99 2.15 -0.51 -4.90 116.67 117.11 1nj4 s ASP 204 Ca 0.34 1.70 0.27 0.00 0.43 0.00 0.00 52.55 55.29 1nj4 s ASP 204 Cb 0.21 -2.54 1.19 0.00 -0.30 0.00 0.00 42.92 41.48 1nj4 s ASP 204 CO 0.41 -0.79 1.87 0.59 -0.17 0.00 0.00 175.17 177.09 1nj4 n ASN 205 N 6.70 0.00 0.08 -0.34 3.02 -1.26 -3.70 115.26 119.76 1nj4 n ASN 205 Ca 0.14 0.37 -0.20 0.00 -0.03 0.00 0.00 54.58 54.86 1nj4 n ASN 205 Cb 0.45 -0.45 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 1nj4 n ASN 205 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1nj4 h SER 206 N 0.00 0.53 -2.04 6.41 0.87 -1.96 -3.47 113.55 113.89 1nj4 h SER 206 Ca 0.00 -0.72 -0.56 0.00 -1.23 0.00 0.00 61.79 59.28 1nj4 h SER 206 Cb 0.42 -0.17 -0.10 0.00 -0.44 0.00 0.00 62.40 62.11 1nj4 h SER 206 CO 0.00 1.59 -0.62 -0.76 -0.53 0.00 0.00 176.83 176.52 1nj4 s LEU 207 N -7.17 3.12 -1.04 2.23 1.43 -1.24 -5.06 118.68 110.94 1nj4 s LEU 207 Ca -0.11 -0.80 -0.06 0.00 -1.03 0.00 0.00 54.13 52.13 1nj4 s LEU 207 Cb 0.06 -1.58 0.27 0.00 0.03 0.00 0.00 46.19 44.97 1nj4 s LEU 207 CO 0.87 -0.14 1.08 0.59 0.23 0.00 0.00 176.35 178.98 1nj4 n ASN 208 N -0.96 5.27 -4.76 2.29 4.13 -1.26 -4.81 115.26 115.16 1nj4 n ASN 208 Ca -0.05 -3.15 -0.39 0.00 1.68 0.00 0.00 54.58 52.68 1nj4 n ASN 208 Cb 0.61 -1.25 -0.06 0.00 -1.54 0.00 0.00 39.78 37.54 1nj4 n ASN 208 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1nj4 s VAL 209 N -1.63 5.00 -0.03 2.41 1.01 -1.26 -1.92 120.40 123.97 1nj4 s VAL 209 Ca 0.30 1.15 0.05 0.00 0.00 0.00 0.00 61.98 63.49 1nj4 s VAL 209 Cb -0.06 -3.89 0.08 0.00 0.00 0.00 0.00 36.38 32.51 1nj4 s VAL 209 CO -0.06 0.40 0.93 -0.90 0.00 0.00 0.00 175.10 175.47 1nj4 n ASP 210 N 2.95 0.93 -3.92 3.32 3.85 -0.83 -4.63 116.55 118.24 1nj4 n ASP 210 Ca -0.07 -2.07 0.05 0.00 -0.71 0.00 0.00 54.79 51.98 1nj4 n ASP 210 Cb 0.51 -0.19 0.01 0.00 -1.35 0.00 0.00 41.12 40.10 1nj4 n ASP 210 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 1nj4 s GLY 211 N -1.28 -0.28 0.09 6.12 0.00 -1.24 -3.31 107.32 107.42 1nj4 s GLY 211 Ca 0.08 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.14 1nj4 s GLY 211 CO 0.01 5.39 0.00 1.39 0.00 0.00 0.00 173.10 179.89 1nj4 n ILE 212 N -0.87 0.27 -3.67 0.90 5.41 0.72 -1.62 119.36 120.49 1nj4 n ILE 212 Ca 0.03 0.09 -0.11 0.00 1.00 0.00 0.00 62.75 63.76 1nj4 n ILE 212 Cb 0.59 -1.00 -0.11 0.00 -0.71 0.00 0.00 39.64 38.41 1nj4 n ILE 212 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1nj4 s LYS 213 N -2.00 0.26 -0.04 0.38 2.47 -0.55 -4.99 119.74 115.27 1nj4 s LYS 213 Ca 0.00 0.85 0.04 0.00 -1.56 0.00 0.00 55.97 55.31 1nj4 s LYS 213 Cb 0.00 0.11 -0.03 0.00 -1.46 0.00 0.00 37.83 36.45 1nj4 s LYS 213 CO 0.00 -0.24 -0.16 -0.08 0.16 0.00 0.00 175.35 175.03 1nj4 s THR 214 N 2.25 2.95 0.10 3.43 -1.32 -1.26 -0.82 115.64 120.97 1nj4 s THR 214 Ca -0.02 -0.81 -0.10 0.00 -1.21 0.00 0.00 61.69 59.54 1nj4 s THR 214 Cb -0.11 -2.15 0.01 0.00 -1.51 0.00 0.00 72.50 68.73 1nj4 s THR 214 CO -0.11 0.56 0.25 -0.83 -2.21 0.00 0.00 174.62 172.28 1nj4 s GLY 215 N -0.80 0.04 -0.06 6.08 0.00 0.15 -4.89 107.32 107.82 1nj4 s GLY 215 Ca 0.12 -0.51 -0.14 0.00 0.00 0.00 0.00 44.72 44.18 1nj4 s GLY 215 CO 0.01 -0.69 0.34 -1.58 0.00 0.00 0.00 173.10 171.17 1nj4 s HIS 216 N -3.86 -0.28 -0.06 1.90 5.65 -1.26 0.11 115.29 117.49 1nj4 s HIS 216 Ca 0.05 0.56 -0.24 0.00 0.25 0.00 0.00 55.06 55.68 1nj4 s HIS 216 Cb 0.04 0.12 0.05 0.00 -1.18 0.00 0.00 32.58 31.61 1nj4 s HIS 216 CO -0.10 -0.32 0.55 -0.08 -0.65 0.00 0.00 174.74 174.14 1nj4 s THR 217 N -0.72 0.02 0.31 0.89 -1.32 -0.92 -4.90 115.64 108.99 1nj4 s THR 217 Ca -0.08 -0.15 0.01 0.00 -1.21 0.00 0.00 61.69 60.26 1nj4 s THR 217 Cb -0.04 -0.85 0.28 0.00 -1.51 0.00 0.00 72.50 70.38 1nj4 s THR 217 CO 0.03 -0.08 1.92 0.44 -2.21 0.00 0.00 174.62 174.72 1nj4 h ASP 218 N 3.60 0.89 -0.20 8.08 3.45 -2.02 0.32 116.42 130.53 1nj4 h ASP 218 Ca -0.28 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 56.98 1nj4 h ASP 218 Cb 1.16 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 39.75 1nj4 h ASP 218 CO 0.35 0.57 -0.66 0.07 -1.57 0.00 0.00 179.24 178.00 1nj4 h LYS 219 N 1.01 0.82 -0.01 3.56 2.10 -2.01 -3.34 116.57 118.70 1nj4 h LYS 219 Ca 0.38 -0.59 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 1nj4 h LYS 219 Cb 0.19 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 1nj4 h LYS 219 CO -0.14 1.21 -0.54 0.00 -2.00 0.00 0.00 179.45 177.98 1nj4 n ALA 220 N -2.58 3.70 -0.26 0.07 0.00 -1.02 -5.03 120.51 115.38 1nj4 n ALA 220 Ca -0.06 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1nj4 n ALA 220 Cb 0.69 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.40 1nj4 n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nj4 n GLY 221 N 1.38 -0.89 3.81 0.00 0.00 0.11 -3.76 105.19 105.84 1nj4 n GLY 221 Ca 0.08 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.54 1nj4 n GLY 221 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nj4 s TYR 222 N 0.00 3.73 -0.03 1.61 1.51 -0.69 -2.16 117.35 121.31 1nj4 s TYR 222 Ca 0.00 1.35 -0.02 0.00 -1.01 0.00 0.00 57.07 57.40 1nj4 s TYR 222 Cb 0.00 -2.58 0.02 0.00 -0.11 0.00 0.00 41.96 39.29 1nj4 s TYR 222 CO 0.00 0.44 0.08 -0.80 -1.11 0.00 0.00 175.55 174.16 1nj4 s ASN 223 N -1.44 -0.05 -0.19 2.29 -0.87 0.12 0.27 114.94 115.06 1nj4 s ASN 223 Ca 0.37 0.16 -0.11 0.00 -1.57 0.00 0.00 52.86 51.71 1nj4 s ASN 223 Cb -0.18 0.10 0.06 0.00 -0.02 0.00 0.00 41.25 41.21 1nj4 s ASN 223 CO 0.21 -0.08 0.47 -0.22 -2.57 0.00 0.00 177.10 174.91 1nj4 s LEU 224 N 0.57 -0.24 -0.20 0.60 2.96 -0.76 0.30 118.68 121.92 1nj4 s LEU 224 Ca -0.04 1.02 -0.03 0.00 -0.22 0.00 0.00 54.13 54.86 1nj4 s LEU 224 Cb -0.06 1.57 -0.01 0.00 0.50 0.00 0.00 46.19 48.19 1nj4 s LEU 224 CO -0.02 -0.20 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.04 1nj4 s VAL 225 N 1.36 3.16 0.17 1.68 1.01 0.00 -1.39 120.40 126.39 1nj4 s VAL 225 Ca -0.09 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.40 1nj4 s VAL 225 Cb -0.07 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1nj4 s VAL 225 CO -0.13 0.45 -0.17 0.00 0.00 0.00 0.00 175.10 175.25 1nj4 s ALA 226 N 1.33 1.99 -0.02 5.51 0.00 0.46 -0.20 121.76 130.82 1nj4 s ALA 226 Ca 0.04 -1.51 -0.01 0.00 0.00 0.00 0.00 51.96 50.47 1nj4 s ALA 226 Cb -0.14 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.83 1nj4 s ALA 226 CO -0.04 0.20 0.05 0.45 0.00 0.00 0.00 175.76 176.42 1nj4 s SER 227 N -2.78 -0.03 0.05 0.00 0.15 -0.64 -0.96 113.70 109.49 1nj4 s SER 227 Ca 0.17 0.09 -0.01 0.00 0.70 0.00 0.00 55.95 56.90 1nj4 s SER 227 Cb -0.05 0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.30 1nj4 s SER 227 CO 0.07 -0.04 -0.02 0.00 1.20 0.00 0.00 173.24 174.45 1nj4 s ALA 228 N 0.26 0.43 0.20 5.45 0.00 -0.88 -1.96 121.76 125.27 1nj4 s ALA 228 Ca -0.02 -1.12 0.07 0.00 0.00 0.00 0.00 51.96 50.89 1nj4 s ALA 228 Cb -0.03 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 1nj4 s ALA 228 CO -0.01 -0.36 -0.12 0.95 0.00 0.00 0.00 175.76 176.22 1nj4 s THR 229 N -3.71 1.57 -0.22 0.00 -4.23 -0.81 -1.59 115.64 106.66 1nj4 s THR 229 Ca 0.05 -2.16 -0.04 0.00 -1.18 0.00 0.00 61.69 58.36 1nj4 s THR 229 Cb 0.06 -2.07 0.12 0.00 1.34 0.00 0.00 72.50 71.95 1nj4 s THR 229 CO -0.09 -0.58 0.36 -0.70 -0.54 0.00 0.00 174.62 173.07 1nj4 s GLU 230 N -3.69 0.31 7.74 3.99 2.12 -0.21 -4.18 118.70 124.78 1nj4 s GLU 230 Ca 0.22 0.60 0.00 0.00 0.36 0.00 0.00 54.97 56.16 1nj4 s GLU 230 Cb 0.01 -0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.01 1nj4 s GLU 230 CO 0.06 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 174.64 1nj4 n GLY 231 N 5.36 3.29 0.78 -1.50 0.00 -1.26 -1.13 105.19 110.73 1nj4 n GLY 231 Ca -0.05 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 45.96 1nj4 n GLY 231 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nj4 n GLN 232 N 13.66 2.03 -3.02 1.61 3.00 -1.26 -4.93 117.38 128.48 1nj4 n GLN 232 Ca 0.00 -1.56 -0.40 0.00 -0.01 0.00 0.00 57.00 55.03 1nj4 n GLN 232 Cb 0.00 -1.47 -0.05 0.00 0.00 0.00 0.00 30.24 28.72 1nj4 n GLN 232 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.06 178.47 1nj4 s MET 233 N -2.04 4.48 -0.04 -1.09 1.75 -0.28 -5.04 119.30 117.03 1nj4 s MET 233 Ca 0.30 1.04 0.01 0.00 -1.25 0.00 0.00 55.69 55.79 1nj4 s MET 233 Cb 0.20 -3.34 0.02 0.00 2.84 0.00 0.00 34.83 34.56 1nj4 s MET 233 CO 0.33 0.36 -0.05 0.50 -0.65 0.00 0.00 175.02 175.51 1nj4 s ARG 234 N -0.32 0.87 0.17 4.11 3.52 -1.26 -1.05 118.95 124.99 1nj4 s ARG 234 Ca 0.37 -0.13 0.09 0.00 -0.13 0.00 0.00 55.73 55.93 1nj4 s ARG 234 Cb -0.21 -0.85 -0.04 0.00 -1.56 0.00 0.00 34.95 32.29 1nj4 s ARG 234 CO 0.23 -0.06 -0.12 -0.51 -0.81 0.00 0.00 175.30 174.03 1nj4 s LEU 235 N 0.85 2.90 -0.08 -0.88 1.43 -0.62 -0.56 118.68 121.72 1nj4 s LEU 235 Ca -0.12 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.42 1nj4 s LEU 235 Cb -0.14 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1nj4 s LEU 235 CO 0.01 0.12 -0.11 -0.63 0.23 0.00 0.00 176.35 175.97 1nj4 s ILE 236 N -1.58 1.10 0.02 -0.59 1.01 0.12 -2.07 121.20 119.21 1nj4 s ILE 236 Ca 0.23 -0.43 0.09 0.00 0.00 0.00 0.00 60.65 60.54 1nj4 s ILE 236 Cb -0.09 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 1nj4 s ILE 236 CO 0.14 0.36 -0.26 -0.94 0.00 0.00 0.00 174.94 174.24 1nj4 s SER 237 N 0.93 3.16 -0.10 3.58 1.04 -0.13 -1.05 113.70 121.13 1nj4 s SER 237 Ca -0.10 -0.54 -0.00 0.00 0.48 0.00 0.00 55.95 55.79 1nj4 s SER 237 Cb -0.15 -0.32 0.02 0.00 0.10 0.00 0.00 66.02 65.67 1nj4 s SER 237 CO 0.01 0.28 -0.07 0.00 0.98 0.00 0.00 173.24 174.43 1nj4 s ALA 238 N -0.75 1.22 -0.18 5.32 0.00 -0.55 -0.41 121.76 126.42 1nj4 s ALA 238 Ca 0.11 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1nj4 s ALA 238 Cb -0.10 -0.82 0.04 0.00 0.00 0.00 0.00 23.12 22.24 1nj4 s ALA 238 CO 0.01 -0.32 -0.11 0.08 0.00 0.00 0.00 175.76 175.42 1nj4 s VAL 239 N 1.53 1.57 0.06 0.00 1.01 -0.48 -1.07 120.40 123.01 1nj4 s VAL 239 Ca 0.01 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.20 1nj4 s VAL 239 Cb -0.13 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 1nj4 s VAL 239 CO -0.06 0.24 -0.23 -0.04 0.00 0.00 0.00 175.10 175.01 1nj4 s MET 240 N 1.44 1.84 -0.83 2.72 -1.94 0.92 -1.82 119.30 121.62 1nj4 s MET 240 Ca 0.01 -1.10 -0.04 0.00 -1.71 0.00 0.00 55.69 52.84 1nj4 s MET 240 Cb -0.15 -2.04 0.00 0.00 2.01 0.00 0.00 34.83 34.65 1nj4 s MET 240 CO -0.09 0.51 0.56 0.41 -0.01 0.00 0.00 175.02 176.40 1nj4 n GLY 241 N 1.56 0.05 3.69 -0.03 0.00 -0.73 -1.62 105.19 108.10 1nj4 n GLY 241 Ca -0.17 -0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.23 1nj4 n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nj4 n GLY 242 N -1.31 0.93 0.08 -0.02 0.00 0.14 -1.90 105.19 103.11 1nj4 n GLY 242 Ca -0.02 0.50 -0.09 0.00 0.00 0.00 0.00 46.02 46.41 1nj4 n GLY 242 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nj4 h ARG 243 N 4.51 0.03 -5.20 1.61 3.08 -1.64 -1.83 114.38 114.94 1nj4 h ARG 243 Ca -0.45 -0.06 -0.36 0.00 0.07 0.00 0.00 59.98 59.18 1nj4 h ARG 243 Cb 1.26 0.02 -0.15 0.00 0.08 0.00 0.00 29.97 31.18 1nj4 h ARG 243 CO 0.78 0.79 -0.72 0.95 -1.07 0.00 0.00 179.97 180.70 1nj4 s THR 244 N -2.65 1.28 0.18 2.04 -4.23 -1.26 -4.95 115.64 106.05 1nj4 s THR 244 Ca -0.03 -2.01 -0.11 0.00 -1.18 0.00 0.00 61.69 58.36 1nj4 s THR 244 Cb 0.09 -1.81 0.10 0.00 1.34 0.00 0.00 72.50 72.21 1nj4 s THR 244 CO 0.83 -0.66 1.75 0.15 -0.54 0.00 0.00 174.62 176.14 1nj4 h PHE 245 N 2.89 0.96 0.00 3.99 3.04 -2.01 -2.73 116.94 123.09 1nj4 h PHE 245 Ca -0.37 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.51 1nj4 h PHE 245 Cb 1.20 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.41 1nj4 h PHE 245 CO 0.66 0.75 0.00 1.57 -2.02 0.00 0.00 178.31 179.27 1nj4 h LYS 246 N 0.90 0.00 -0.02 1.11 2.10 -2.02 -2.57 116.57 116.07 1nj4 h LYS 246 Ca 0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 1nj4 h LYS 246 Cb 0.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 1nj4 h LYS 246 CO -0.02 0.00 -0.41 0.41 -2.00 0.00 0.00 179.45 177.43 1nj4 n GLY 247 N -0.19 0.16 0.40 0.07 0.00 -1.05 -4.34 105.19 100.25 1nj4 n GLY 247 Ca 0.01 -0.65 0.19 0.00 0.00 0.00 0.00 46.02 45.57 1nj4 n GLY 247 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1nj4 h ARG 248 N 2.74 0.31 0.00 1.61 0.11 -1.29 -1.08 114.38 116.78 1nj4 h ARG 248 Ca 0.00 -0.02 -0.21 0.00 0.10 0.00 0.00 59.98 59.85 1nj4 h ARG 248 Cb 0.79 -0.07 -0.04 0.00 1.11 0.00 0.00 29.97 31.76 1nj4 h ARG 248 CO 0.00 0.21 -1.78 0.39 0.10 0.00 0.00 179.97 178.88 1nj4 n GLU 249 N -4.46 0.98 -0.27 0.08 1.02 -1.26 -4.74 120.64 111.99 1nj4 n GLU 249 Ca 0.16 0.05 -0.03 0.00 -0.02 0.00 0.00 57.16 57.33 1nj4 n GLU 249 Cb 0.65 -1.28 0.09 0.00 -0.02 0.00 0.00 31.44 30.87 1nj4 n GLU 249 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nj4 h ALA 250 N 0.18 0.98 -0.68 0.62 0.00 -1.69 -1.65 119.26 117.03 1nj4 h ALA 250 Ca -0.31 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1nj4 h ALA 250 Cb 1.55 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1nj4 h ALA 250 CO -0.03 0.27 0.22 0.93 0.00 0.00 0.00 179.25 180.64 1nj4 h GLU 251 N 0.92 1.03 0.05 0.00 4.39 -1.49 -0.86 114.58 118.61 1nj4 h GLU 251 Ca 0.30 -0.20 -0.25 0.00 0.34 0.00 0.00 59.36 59.55 1nj4 h GLU 251 Cb 0.02 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1nj4 h GLU 251 CO -0.11 0.88 -1.06 0.77 -1.16 0.00 0.00 179.01 178.33 1nj4 h SER 252 N 1.00 0.53 -0.65 1.42 0.02 -1.73 -2.79 113.55 111.34 1nj4 h SER 252 Ca 0.22 -0.47 0.02 0.00 -0.84 0.00 0.00 61.79 60.73 1nj4 h SER 252 Cb 0.27 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 1nj4 h SER 252 CO -0.01 1.30 0.41 0.50 -1.14 0.00 0.00 176.83 177.88 1nj4 h LYS 253 N 0.19 0.79 -0.29 3.45 3.64 -1.12 0.83 116.57 124.05 1nj4 h LYS 253 Ca -0.11 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1nj4 h LYS 253 Cb 1.72 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 33.33 1nj4 h LYS 253 CO 0.18 0.52 0.11 -0.22 -2.27 0.00 0.00 179.45 177.78 1nj4 h LYS 254 N 0.81 0.24 -0.26 1.90 3.64 -1.14 -0.59 116.57 121.18 1nj4 h LYS 254 Ca 0.26 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1nj4 h LYS 254 Cb -0.01 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1nj4 h LYS 254 CO -0.09 0.16 0.09 1.25 -2.27 0.00 0.00 179.45 178.59 1nj4 h LEU 255 N 0.25 0.37 -0.62 5.20 5.85 -1.14 -1.52 115.31 123.70 1nj4 h LEU 255 Ca 0.13 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 1nj4 h LEU 255 Cb 0.08 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1nj4 h LEU 255 CO -0.12 0.46 0.19 -0.07 -0.34 0.00 0.00 178.44 178.56 1nj4 h LEU 256 N 0.26 0.91 -0.52 2.25 3.38 -0.71 -1.52 115.31 119.35 1nj4 h LEU 256 Ca 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1nj4 h LEU 256 Cb 0.22 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1nj4 h LEU 256 CO -0.00 0.87 0.30 0.74 0.09 0.00 0.00 178.44 180.44 1nj4 h THR 257 N 0.89 1.17 -0.50 0.22 2.02 -0.91 -1.98 112.91 113.82 1nj4 h THR 257 Ca 0.20 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1nj4 h THR 257 Cb 0.29 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1nj4 h THR 257 CO -0.01 0.18 0.26 -0.25 0.37 0.00 0.00 175.52 176.07 1nj4 h TRP 258 N 0.70 0.70 -0.32 3.16 7.01 -1.15 -1.47 115.95 124.57 1nj4 h TRP 258 Ca 0.18 -0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.21 1nj4 h TRP 258 Cb 0.02 -0.22 -0.05 0.00 -2.10 0.00 0.00 29.16 26.82 1nj4 h TRP 258 CO -0.02 0.54 0.04 0.78 -2.79 0.00 0.00 178.44 176.99 1nj4 h GLY 259 N 0.66 0.35 1.56 2.65 0.00 -0.85 -1.58 103.07 105.86 1nj4 h GLY 259 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.41 1nj4 h GLY 259 CO -0.02 -0.04 -0.23 0.74 0.00 0.00 0.00 176.54 176.98 1nj4 h PHE 260 N 0.14 0.57 -0.34 5.60 0.05 -1.20 -1.37 116.94 120.39 1nj4 h PHE 260 Ca 0.15 -0.12 -0.05 0.00 3.82 0.00 0.00 57.97 61.77 1nj4 h PHE 260 Cb 0.19 -0.14 -0.01 0.00 2.00 0.00 0.00 35.95 37.98 1nj4 h PHE 260 CO -0.20 0.71 0.00 -0.09 -0.18 0.00 0.00 178.31 178.55 1nj4 h ARG 261 N 0.46 0.60 0.00 1.51 2.43 -0.79 -3.36 114.38 115.24 1nj4 h ARG 261 Ca 0.07 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1nj4 h ARG 261 Cb 0.65 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1nj4 h ARG 261 CO 0.05 0.72 -1.00 1.19 -1.51 0.00 0.00 179.97 179.42 1nj4 n PHE 262 N -4.52 0.00 -4.26 2.20 3.01 -0.64 -4.77 117.46 108.48 1nj4 n PHE 262 Ca -0.02 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.26 1nj4 n PHE 262 Cb 0.27 -0.04 -0.11 0.00 -0.01 0.00 0.00 39.48 39.59 1nj4 n PHE 262 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1nj4 s PHE 263 N -2.89 1.44 -0.00 1.38 0.40 -0.52 -0.24 117.98 117.55 1nj4 s PHE 263 Ca 0.06 -0.58 0.01 0.00 -0.60 0.00 0.00 56.93 55.82 1nj4 s PHE 263 Cb 0.15 -0.74 -0.00 0.00 0.51 0.00 0.00 43.02 42.94 1nj4 s PHE 263 CO 0.80 0.17 -0.02 -2.00 0.70 0.00 0.00 175.22 174.87 1nj4 s GLU 264 N -2.94 0.19 -0.21 0.44 2.12 0.36 -4.55 118.70 114.10 1nj4 s GLU 264 Ca 0.12 -0.08 -0.06 0.00 0.36 0.00 0.00 54.97 55.31 1nj4 s GLU 264 Cb -0.03 -0.19 -0.03 0.00 0.26 0.00 0.00 34.13 34.13 1nj4 s GLU 264 CO 0.03 0.05 0.04 0.99 -0.54 0.00 0.00 175.26 175.83 1nj4 s THR 265 N -0.02 4.30 0.23 -1.70 2.01 -1.26 -1.36 115.64 117.83 1nj4 s THR 265 Ca 0.01 -0.19 0.09 0.00 0.31 0.00 0.00 61.69 61.91 1nj4 s THR 265 Cb -0.01 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 1nj4 s THR 265 CO -0.00 0.40 -0.07 0.68 -0.69 0.00 0.00 174.62 174.94 1nj4 s VAL 266 N 1.07 3.23 -0.59 3.82 -7.23 0.96 -4.92 120.40 116.74 1nj4 s VAL 266 Ca 0.03 -1.84 0.06 0.00 -1.81 0.00 0.00 61.98 58.41 1nj4 s VAL 266 Cb -0.14 -2.67 0.21 0.00 0.56 0.00 0.00 36.38 34.34 1nj4 s VAL 266 CO 0.03 -0.26 0.56 -3.20 -0.31 0.00 0.00 175.10 171.92 1nj4 n ASN 267 N -0.44 2.31 0.24 4.85 5.15 -1.26 -0.47 115.26 125.64 1nj4 n ASN 267 Ca -0.08 -3.08 0.08 0.00 -0.60 0.00 0.00 54.58 50.90 1nj4 n ASN 267 Cb 0.57 -0.68 0.58 0.00 -0.53 0.00 0.00 39.78 39.73 1nj4 n ASN 267 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1nj4 h PRO 268 N 4.82 0.00 -2.95 1.20 0.13 -1.97 -3.42 132.00 129.82 1nj4 h PRO 268 Ca 0.17 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.09 1nj4 h PRO 268 Cb 0.76 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.58 1nj4 h PRO 268 CO 0.67 0.18 -0.52 -1.17 -0.23 0.00 0.00 178.00 176.92 1nj4 s LEU 269 N -8.00 0.03 0.23 1.56 2.96 -1.26 -5.07 118.68 109.14 1nj4 s LEU 269 Ca -0.03 0.54 -0.02 0.00 -0.22 0.00 0.00 54.13 54.40 1nj4 s LEU 269 Cb 0.14 0.68 -0.05 0.00 0.50 0.00 0.00 46.19 47.47 1nj4 s LEU 269 CO 0.65 -0.21 0.45 -0.54 -1.32 0.00 0.00 176.35 175.38 1nj4 s LYS 270 N 1.90 3.56 0.25 1.98 1.02 -1.26 -1.66 119.74 125.53 1nj4 s LYS 270 Ca -0.03 -0.21 -0.31 0.00 0.02 0.00 0.00 55.97 55.43 1nj4 s LYS 270 Cb -0.11 -2.77 -0.12 0.00 -0.52 0.00 0.00 37.83 34.31 1nj4 s LYS 270 CO -0.08 0.33 1.64 0.28 -0.92 0.00 0.00 175.35 176.60 1nj4 n VAL 271 N -0.75 0.52 0.00 3.17 0.31 -1.26 -2.27 118.33 118.05 1nj4 n VAL 271 Ca -0.04 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1nj4 n VAL 271 Cb 0.54 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 1nj4 n VAL 271 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nj4 n GLY 272 N 3.01 2.14 3.80 2.92 0.00 -1.20 -5.03 105.19 110.83 1nj4 n GLY 272 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1nj4 n GLY 272 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nj4 s LYS 273 N -0.32 4.33 -0.43 1.61 -0.14 -0.96 -4.99 119.74 118.84 1nj4 s LYS 273 Ca 0.00 0.92 -0.29 0.00 -1.36 0.00 0.00 55.97 55.24 1nj4 s LYS 273 Cb 0.00 -3.09 0.02 0.00 -1.68 0.00 0.00 37.83 33.08 1nj4 s LYS 273 CO 0.00 0.51 1.26 -2.00 -0.76 0.00 0.00 175.35 174.37 1nj4 s GLU 274 N -1.51 3.69 0.09 1.68 2.12 -1.26 -4.49 118.70 119.02 1nj4 s GLU 274 Ca 0.37 0.80 -0.09 0.00 0.36 0.00 0.00 54.97 56.42 1nj4 s GLU 274 Cb -0.19 -3.95 -0.19 0.00 0.26 0.00 0.00 34.13 30.06 1nj4 s GLU 274 CO 0.22 -1.41 1.21 0.35 -0.54 0.00 0.00 175.26 175.09 1nj4 h PHE 275 N 9.80 0.80 -2.66 5.30 3.04 -0.93 -3.48 116.94 128.80 1nj4 h PHE 275 Ca -0.25 -0.46 0.09 0.00 3.98 0.00 0.00 57.97 61.33 1nj4 h PHE 275 Cb 1.08 -0.08 -0.09 0.00 2.56 0.00 0.00 35.95 39.42 1nj4 h PHE 275 CO 0.96 1.30 0.35 0.00 -2.02 0.00 0.00 178.31 178.90 1nj4 s ALA 276 N -3.15 -1.55 0.10 2.41 0.00 -1.01 -5.03 121.76 113.52 1nj4 s ALA 276 Ca -0.07 0.24 0.09 0.00 0.00 0.00 0.00 51.96 52.22 1nj4 s ALA 276 Cb 0.07 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1nj4 s ALA 276 CO 0.90 -0.92 -0.21 -1.12 0.00 0.00 0.00 175.76 174.41 1nj4 s SER 277 N -2.81 3.68 -0.00 0.00 0.01 -1.26 -0.70 113.70 112.62 1nj4 s SER 277 Ca 0.08 -0.58 -0.02 0.00 1.31 0.00 0.00 55.95 56.74 1nj4 s SER 277 Cb -0.03 -0.46 -0.00 0.00 0.21 0.00 0.00 66.02 65.74 1nj4 s SER 277 CO -0.02 0.20 0.03 -1.61 0.41 0.00 0.00 173.24 172.25 1nj4 s GLU 278 N -1.92 0.18 0.38 12.44 0.41 -0.84 -4.98 118.70 124.37 1nj4 s GLU 278 Ca 0.16 -0.21 -0.27 0.00 -0.41 0.00 0.00 54.97 54.23 1nj4 s GLU 278 Cb -0.10 0.07 -0.11 0.00 -1.78 0.00 0.00 34.13 32.21 1nj4 s GLU 278 CO 0.08 -0.03 1.41 -2.30 -0.49 0.00 0.00 175.26 173.93 1nj4 n PRO 279 N 2.40 2.43 -5.24 0.39 -0.02 -1.26 -0.27 135.00 133.43 1nj4 n PRO 279 Ca -0.17 0.85 -0.32 0.00 -2.02 0.00 0.00 63.50 61.85 1nj4 n PRO 279 Cb 0.58 -2.56 -0.16 0.00 -0.02 0.00 0.00 33.50 31.34 1nj4 n PRO 279 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nj4 s VAL 280 N -1.13 2.11 -0.01 -1.45 1.01 0.16 -4.19 120.40 116.91 1nj4 s VAL 280 Ca 0.55 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1nj4 s VAL 280 Cb -0.50 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1nj4 s VAL 280 CO 0.62 0.57 0.21 0.26 0.00 0.00 0.00 175.10 176.76 1nj4 s TRP 281 N -0.12 3.56 -1.54 5.22 0.52 0.62 -4.52 118.94 122.68 1nj4 s TRP 281 Ca -0.05 0.45 0.00 0.00 0.02 0.00 0.00 56.10 56.52 1nj4 s TRP 281 Cb -0.14 -1.89 0.00 0.00 -1.15 0.00 0.00 33.47 30.29 1nj4 s TRP 281 CO 0.04 0.64 0.00 1.19 0.02 0.00 0.00 176.95 178.84 1nj4 n PHE 282 N 1.07 -0.50 -3.89 -1.98 3.01 -1.26 -0.71 117.46 113.20 1nj4 n PHE 282 Ca -0.12 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.20 1nj4 n PHE 282 Cb 0.53 -3.17 -0.01 0.00 -0.01 0.00 0.00 39.48 36.82 1nj4 n PHE 282 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nj4 n GLY 283 N -0.99 3.18 0.14 1.37 0.00 -1.26 -1.52 105.19 106.11 1nj4 n GLY 283 Ca -0.18 -2.25 0.12 0.00 0.00 0.00 0.00 46.02 43.71 1nj4 n GLY 283 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1nj4 h ASP 284 N 0.42 0.00 -5.06 1.61 2.03 -1.36 -3.35 116.42 110.71 1nj4 h ASP 284 Ca -0.19 -0.02 -0.23 0.00 -0.73 0.00 0.00 57.03 55.86 1nj4 h ASP 284 Cb 0.65 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 39.00 1nj4 h ASP 284 CO 0.30 0.01 -0.65 -0.44 -1.03 0.00 0.00 179.24 177.43 1nj4 s SER 285 N -5.17 0.67 0.00 4.15 0.01 -1.26 -5.03 113.70 107.07 1nj4 s SER 285 Ca 0.08 -1.21 0.19 0.00 1.31 0.00 0.00 55.95 56.32 1nj4 s SER 285 Cb 0.10 0.23 0.41 0.00 0.21 0.00 0.00 66.02 66.97 1nj4 s SER 285 CO 0.65 -0.68 1.34 -0.90 0.41 0.00 0.00 173.24 174.06 1nj4 n ASP 286 N -0.17 3.29 -3.75 2.44 3.85 -1.26 -4.73 116.55 116.22 1nj4 n ASP 286 Ca -0.05 -1.94 -0.16 0.00 -0.71 0.00 0.00 54.79 51.93 1nj4 n ASP 286 Cb 0.64 -0.27 -0.16 0.00 -1.35 0.00 0.00 41.12 39.97 1nj4 n ASP 286 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 1nj4 s ARG 287 N -1.19 -0.01 -0.13 0.11 6.06 -1.26 -0.66 118.95 121.87 1nj4 s ARG 287 Ca 0.35 0.22 -0.06 0.00 -2.50 0.00 0.00 55.73 53.74 1nj4 s ARG 287 Cb 0.19 -0.34 -0.04 0.00 0.06 0.00 0.00 34.95 34.83 1nj4 s ARG 287 CO 0.26 -0.20 0.08 0.00 -2.50 0.00 0.00 175.30 172.94 1nj4 s ALA 288 N 1.32 3.59 -0.27 6.12 0.00 0.63 -4.87 121.76 128.28 1nj4 s ALA 288 Ca -0.06 -0.71 -0.16 0.00 0.00 0.00 0.00 51.96 51.03 1nj4 s ALA 288 Cb -0.13 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 1nj4 s ALA 288 CO -0.03 0.48 0.42 0.45 0.00 0.00 0.00 175.76 177.08 1nj4 s SER 289 N -0.58 6.30 -0.04 0.00 0.15 -1.26 -1.99 113.70 116.27 1nj4 s SER 289 Ca 0.11 0.31 0.04 0.00 0.70 0.00 0.00 55.95 57.11 1nj4 s SER 289 Cb -0.12 -2.23 -0.03 0.00 -1.71 0.00 0.00 66.02 61.93 1nj4 s SER 289 CO 0.02 -0.23 -0.14 -0.76 1.20 0.00 0.00 173.24 173.33 1nj4 s LEU 290 N 2.15 2.77 0.00 3.45 1.43 0.13 0.25 118.68 128.86 1nj4 s LEU 290 Ca 0.17 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1nj4 s LEU 290 Cb -0.16 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.49 1nj4 s LEU 290 CO 0.10 0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.63 1nj4 n GLY 291 N 2.20 2.94 3.35 -3.19 0.00 -0.22 -0.15 105.19 110.12 1nj4 n GLY 291 Ca -0.17 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 1nj4 n GLY 291 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nj4 s VAL 292 N 0.10 1.44 -1.54 1.61 -7.23 -1.26 -0.37 120.40 113.16 1nj4 s VAL 292 Ca 0.00 -2.12 0.13 0.00 -1.81 0.00 0.00 61.98 58.18 1nj4 s VAL 292 Cb 0.00 -2.21 0.16 0.00 0.56 0.00 0.00 36.38 34.89 1nj4 s VAL 292 CO 0.00 -0.46 1.01 -0.90 -0.31 0.00 0.00 175.10 174.43 1nj4 n ASP 293 N -0.42 2.33 -3.85 4.85 5.75 -1.26 -3.25 116.55 120.69 1nj4 n ASP 293 Ca -0.07 -1.65 -0.13 0.00 -0.01 0.00 0.00 54.79 52.93 1nj4 n ASP 293 Cb 0.62 -0.06 -0.14 0.00 -1.03 0.00 0.00 41.12 40.51 1nj4 n ASP 293 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1nj4 s LYS 294 N -1.08 -0.01 0.48 0.11 2.20 -1.26 -4.98 119.74 115.20 1nj4 s LYS 294 Ca 0.18 0.04 -0.23 0.00 -0.36 0.00 0.00 55.97 55.61 1nj4 s LYS 294 Cb 0.12 -0.05 -0.08 0.00 -1.51 0.00 0.00 37.83 36.30 1nj4 s LYS 294 CO 0.17 -0.04 1.11 -0.25 -0.36 0.00 0.00 175.35 175.98 1nj4 n ASP 295 N 3.31 1.64 -4.57 1.43 9.92 -1.26 -4.66 116.55 122.36 1nj4 n ASP 295 Ca -0.15 0.99 -0.36 0.00 -0.53 0.00 0.00 54.79 54.73 1nj4 n ASP 295 Cb 0.58 -1.43 -0.11 0.00 -0.64 0.00 0.00 41.12 39.52 1nj4 n ASP 295 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1nj4 s VAL 296 N -1.32 4.89 -0.10 2.53 1.01 -0.67 -4.99 120.40 121.75 1nj4 s VAL 296 Ca 0.67 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.70 1nj4 s VAL 296 Cb -0.49 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1nj4 s VAL 296 CO 0.54 0.34 -0.21 -0.31 0.00 0.00 0.00 175.10 175.46 1nj4 s TYR 297 N 1.29 2.32 -0.05 5.22 1.51 -1.26 -3.58 117.35 122.80 1nj4 s TYR 297 Ca 0.06 -0.97 0.05 0.00 -1.01 0.00 0.00 57.07 55.20 1nj4 s TYR 297 Cb -0.14 -1.58 -0.01 0.00 -0.11 0.00 0.00 41.96 40.12 1nj4 s TYR 297 CO 0.05 -0.41 -0.21 -0.51 -1.11 0.00 0.00 175.55 173.36 1nj4 s LEU 298 N 0.48 1.98 -0.30 -1.29 1.43 0.38 -4.59 118.68 116.78 1nj4 s LEU 298 Ca -0.16 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.44 1nj4 s LEU 298 Cb -0.17 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 44.91 1nj4 s LEU 298 CO 0.06 0.19 0.08 -0.89 0.23 0.00 0.00 176.35 176.03 1nj4 s THR 299 N -0.04 4.00 0.25 5.49 2.01 -1.26 -0.03 115.64 126.05 1nj4 s THR 299 Ca -0.04 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.32 1nj4 s THR 299 Cb -0.13 -3.06 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 1nj4 s THR 299 CO 0.03 0.08 0.00 0.27 -0.69 0.00 0.00 174.62 174.31 1nj4 s ILE 300 N 1.51 1.11 0.31 1.82 -4.36 -0.47 -4.95 121.20 116.17 1nj4 s ILE 300 Ca 0.03 -2.04 -0.29 0.00 -0.26 0.00 0.00 60.65 58.09 1nj4 s ILE 300 Cb -0.17 -2.43 -0.13 0.00 1.25 0.00 0.00 42.46 40.98 1nj4 s ILE 300 CO 0.03 -0.27 1.32 -2.65 0.24 0.00 0.00 174.94 173.61 1nj4 n PRO 301 N -0.48 2.10 -1.93 0.37 -0.02 -1.26 -0.49 135.00 133.29 1nj4 n PRO 301 Ca -0.05 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 1nj4 n PRO 301 Cb 0.64 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 1nj4 n PRO 301 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1nj4 s ARG 302 N -1.40 4.21 0.00 -0.52 3.52 0.67 -2.48 118.95 122.95 1nj4 s ARG 302 Ca 0.59 2.36 0.00 0.00 -0.13 0.00 0.00 55.73 58.56 1nj4 s ARG 302 Cb -0.59 -3.17 0.00 0.00 -1.56 0.00 0.00 34.95 29.63 1nj4 s ARG 302 CO 0.58 -0.61 0.00 0.41 -0.81 0.00 0.00 175.30 174.87 1nj4 n GLY 303 N 3.77 0.91 0.26 8.12 0.00 -1.26 -4.92 105.19 112.07 1nj4 n GLY 303 Ca 0.14 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.11 1nj4 n GLY 303 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nj4 n ARG 304 N -2.16 0.94 -0.34 1.61 5.12 -1.03 -4.71 116.66 116.09 1nj4 n ARG 304 Ca 0.00 -0.80 0.17 0.00 -1.93 0.00 0.00 57.85 55.29 1nj4 n ARG 304 Cb 0.00 -1.10 0.39 0.00 -1.16 0.00 0.00 32.46 30.60 1nj4 n ARG 304 CO 0.00 0.00 0.00 1.98 -1.93 0.00 0.00 177.63 177.68 1nj4 h MET 305 N 1.28 0.59 0.00 5.56 1.85 -1.93 0.18 114.93 122.46 1nj4 h MET 305 Ca 0.00 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.05 1nj4 h MET 305 Cb 0.30 -0.13 -0.00 0.00 0.43 0.00 0.00 31.60 32.20 1nj4 h MET 305 CO 0.00 0.39 -0.01 1.57 -0.40 0.00 0.00 176.91 178.46 1nj4 h LYS 306 N 0.60 0.00 -0.01 0.39 -0.00 -1.99 -2.54 116.57 113.02 1nj4 h LYS 306 Ca 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.26 1nj4 h LYS 306 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.39 1nj4 h LYS 306 CO -0.40 0.01 -0.40 -0.25 -0.00 0.00 0.00 179.45 178.41 1nj4 n ASP 307 N -3.11 0.94 -4.71 7.07 9.92 0.63 -4.91 116.55 122.38 1nj4 n ASP 307 Ca 0.01 -0.74 -0.42 0.00 -0.53 0.00 0.00 54.79 53.10 1nj4 n ASP 307 Cb 0.31 0.26 -0.03 0.00 -0.64 0.00 0.00 41.12 41.02 1nj4 n ASP 307 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1nj4 s LEU 308 N -2.69 4.36 0.04 0.64 1.98 -0.96 -4.56 118.68 117.49 1nj4 s LEU 308 Ca 0.18 2.38 0.08 0.00 -2.89 0.00 0.00 54.13 53.88 1nj4 s LEU 308 Cb 0.18 -3.58 -0.03 0.00 0.66 0.00 0.00 46.19 43.43 1nj4 s LEU 308 CO 0.61 -0.72 -0.22 -0.54 -1.89 0.00 0.00 176.35 173.58 1nj4 s LYS 309 N 1.46 1.50 0.01 1.98 3.01 0.62 -4.98 119.74 123.33 1nj4 s LYS 309 Ca 0.67 -0.98 0.05 0.00 -1.01 0.00 0.00 55.97 54.70 1nj4 s LYS 309 Cb -0.38 -1.62 -0.01 0.00 -1.01 0.00 0.00 37.83 34.80 1nj4 s LYS 309 CO 0.30 0.42 -0.14 0.00 0.51 0.00 0.00 175.35 176.44 1nj4 s ALA 310 N -0.79 1.19 0.31 5.17 0.00 -1.26 0.44 121.76 126.81 1nj4 s ALA 310 Ca 0.08 -0.69 -0.10 0.00 0.00 0.00 0.00 51.96 51.26 1nj4 s ALA 310 Cb -0.09 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1nj4 s ALA 310 CO 0.02 0.27 0.54 -1.54 0.00 0.00 0.00 175.76 175.05 1nj4 s SER 311 N -0.60 0.29 0.05 0.00 1.04 -0.52 -5.00 113.70 108.96 1nj4 s SER 311 Ca 0.04 -1.16 -0.08 0.00 0.48 0.00 0.00 55.95 55.23 1nj4 s SER 311 Cb -0.06 0.67 -0.00 0.00 0.10 0.00 0.00 66.02 66.72 1nj4 s SER 311 CO 0.00 -1.31 0.16 -0.72 0.98 0.00 0.00 173.24 172.35 1nj4 s TYR 312 N -3.35 0.14 -0.05 5.02 -0.85 -1.26 -0.03 117.35 116.98 1nj4 s TYR 312 Ca 0.24 -0.45 0.04 0.00 -0.52 0.00 0.00 57.07 56.37 1nj4 s TYR 312 Cb -0.02 -0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.24 1nj4 s TYR 312 CO 0.13 -0.44 -0.16 0.08 -1.52 0.00 0.00 175.55 173.65 1nj4 s VAL 313 N -2.97 1.34 0.38 -3.49 1.01 -0.20 -4.98 120.40 111.49 1nj4 s VAL 313 Ca -0.02 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 1nj4 s VAL 313 Cb 0.01 -1.17 -0.07 0.00 0.00 0.00 0.00 36.38 35.15 1nj4 s VAL 313 CO -0.06 0.39 0.76 -0.76 0.00 0.00 0.00 175.10 175.43 1nj4 s LEU 314 N 0.22 3.90 0.21 3.92 1.43 -1.26 -0.76 118.68 126.34 1nj4 s LEU 314 Ca -0.07 1.17 -0.03 0.00 -1.03 0.00 0.00 54.13 54.16 1nj4 s LEU 314 Cb -0.13 -4.03 0.18 0.00 0.03 0.00 0.00 46.19 42.25 1nj4 s LEU 314 CO 0.03 -0.34 1.60 0.78 0.23 0.00 0.00 176.35 178.64 1nj4 h ASN 315 N 1.55 0.71 -2.96 2.29 -0.26 -1.43 -3.46 115.58 112.02 1nj4 h ASN 315 Ca -0.47 -0.29 -0.50 0.00 -0.56 0.00 0.00 56.30 54.48 1nj4 h ASN 315 Cb 1.18 -0.20 -0.14 0.00 -1.06 0.00 0.00 38.32 38.11 1nj4 h ASN 315 CO 0.64 0.98 -0.63 -0.94 -1.06 0.00 0.00 177.43 176.42 1nj4 s SER 316 N -6.81 2.68 0.35 5.81 1.04 -1.26 -5.06 113.70 110.45 1nj4 s SER 316 Ca -0.09 -1.30 0.14 0.00 0.48 0.00 0.00 55.95 55.19 1nj4 s SER 316 Cb 0.13 -0.15 0.63 0.00 0.10 0.00 0.00 66.02 66.72 1nj4 s SER 316 CO 0.83 -0.48 1.75 0.77 0.98 0.00 0.00 173.24 177.09 1nj4 h SER 317 N 2.15 0.00 -4.91 7.02 4.64 -2.00 -3.45 113.55 117.01 1nj4 h SER 317 Ca -0.41 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.72 1nj4 h SER 317 Cb 1.24 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.16 1nj4 h SER 317 CO 0.70 0.44 -0.70 -1.61 -0.87 0.00 0.00 176.83 174.79 1nj4 s GLU 318 N -3.86 0.62 -0.19 4.77 2.02 -1.26 -5.12 118.70 115.68 1nj4 s GLU 318 Ca -0.02 -1.08 -0.08 0.00 0.02 0.00 0.00 54.97 53.81 1nj4 s GLU 318 Cb 0.13 -0.03 -0.04 0.00 0.10 0.00 0.00 34.13 34.29 1nj4 s GLU 318 CO 0.72 -0.04 0.08 -0.51 0.02 0.00 0.00 175.26 175.53 1nj4 s LEU 319 N -2.49 3.95 0.03 1.80 1.43 -1.26 -5.05 118.68 117.10 1nj4 s LEU 319 Ca 0.02 0.14 0.07 0.00 -1.03 0.00 0.00 54.13 53.33 1nj4 s LEU 319 Cb 0.01 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1nj4 s LEU 319 CO -0.05 0.18 -0.20 -1.00 0.23 0.00 0.00 176.35 175.52 1nj4 s HIS 320 N 0.32 2.51 0.76 0.29 3.76 -1.26 -0.28 115.29 121.39 1nj4 s HIS 320 Ca 0.05 -0.29 -0.11 0.00 -0.15 0.00 0.00 55.06 54.56 1nj4 s HIS 320 Cb -0.12 -1.46 0.05 0.00 1.11 0.00 0.00 32.58 32.15 1nj4 s HIS 320 CO -0.01 0.21 1.08 0.00 -0.85 0.00 0.00 174.74 175.18 1nj4 s ALA 321 N -0.88 2.44 0.50 -1.40 0.00 0.11 -4.49 121.76 118.04 1nj4 s ALA 321 Ca 0.14 -0.12 -0.15 0.00 0.00 0.00 0.00 51.96 51.82 1nj4 s ALA 321 Cb -0.10 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 19.82 1nj4 s ALA 321 CO 0.04 -1.52 0.94 -1.25 0.00 0.00 0.00 175.76 173.98 1nj4 s PRO 322 N -5.13 3.89 -0.08 0.00 0.04 -1.26 -4.84 135.00 127.62 1nj4 s PRO 322 Ca 0.60 0.84 0.02 0.00 0.04 0.00 0.00 61.00 62.50 1nj4 s PRO 322 Cb -0.14 -2.18 0.01 0.00 0.04 0.00 0.00 34.50 32.23 1nj4 s PRO 322 CO 0.54 -0.24 -0.13 -0.51 0.04 0.00 0.00 177.00 176.70 1nj4 s LEU 323 N -4.10 1.61 0.48 -3.56 2.01 0.46 -4.94 118.68 110.64 1nj4 s LEU 323 Ca 0.57 -0.33 -0.11 0.00 0.01 0.00 0.00 54.13 54.27 1nj4 s LEU 323 Cb -0.10 -0.90 -0.06 0.00 0.01 0.00 0.00 46.19 45.14 1nj4 s LEU 323 CO 0.33 0.01 0.87 -1.10 1.01 0.00 0.00 176.35 177.47 1nj4 s GLN 324 N 0.86 3.74 0.18 1.70 -0.21 -1.26 -0.17 119.66 124.49 1nj4 s GLN 324 Ca -0.11 0.57 -0.31 0.00 0.02 0.00 0.00 55.36 55.53 1nj4 s GLN 324 Cb -0.15 -2.28 -0.10 0.00 1.00 0.00 0.00 33.01 31.48 1nj4 s GLN 324 CO 0.01 -0.21 1.54 0.21 -2.12 0.00 0.00 175.29 174.72 1nj4 s LYS 325 N -4.31 4.23 -0.22 2.91 2.20 -1.26 -2.09 119.74 121.20 1nj4 s LYS 325 Ca 0.53 2.34 0.00 0.00 -0.36 0.00 0.00 55.97 58.48 1nj4 s LYS 325 Cb -0.10 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1nj4 s LYS 325 CO 0.38 -0.57 0.00 0.09 -0.36 0.00 0.00 175.35 174.89 1nj4 n ASN 326 N 3.68 -3.89 -4.72 1.43 5.03 0.24 -4.96 115.26 112.07 1nj4 n ASN 326 Ca 0.13 0.05 -0.42 0.00 0.87 0.00 0.00 54.58 55.21 1nj4 n ASN 326 Cb 0.39 -1.57 -0.03 0.00 -1.02 0.00 0.00 39.78 37.55 1nj4 n ASN 326 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 1nj4 s GLN 327 N -1.22 4.32 -0.07 3.52 0.74 -0.89 -4.67 119.66 121.38 1nj4 s GLN 327 Ca 0.00 2.12 -0.30 0.00 0.05 0.00 0.00 55.36 57.23 1nj4 s GLN 327 Cb 0.00 -3.22 -0.03 0.00 1.10 0.00 0.00 33.01 30.87 1nj4 s GLN 327 CO 0.00 -0.42 1.15 0.08 -0.55 0.00 0.00 175.29 175.55 1nj4 s VAL 328 N 0.86 4.40 0.00 1.34 1.01 -1.26 -1.20 120.40 125.54 1nj4 s VAL 328 Ca 0.63 1.71 0.00 0.00 0.00 0.00 0.00 61.98 64.32 1nj4 s VAL 328 Cb -0.38 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 31.90 1nj4 s VAL 328 CO 0.33 -0.00 0.36 1.33 0.00 0.00 0.00 175.10 177.11 1nj4 n VAL 329 N 4.62 0.10 -3.03 2.92 0.24 0.11 -4.99 118.33 118.30 1nj4 n VAL 329 Ca 0.10 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1nj4 n VAL 329 Cb 0.47 1.33 0.00 0.00 -1.47 0.00 0.00 33.84 34.16 1nj4 n VAL 329 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nj4 n GLY 330 N -0.05 -0.81 2.95 7.63 0.00 -1.09 -1.01 105.19 112.81 1nj4 n GLY 330 Ca 0.00 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 1nj4 n GLY 330 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nj4 s THR 331 N -3.00 0.71 -0.19 2.61 2.01 0.06 -0.14 115.64 117.69 1nj4 s THR 331 Ca 0.00 -0.26 -0.10 0.00 0.31 0.00 0.00 61.69 61.64 1nj4 s THR 331 Cb 0.00 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.78 1nj4 s THR 331 CO 0.00 0.25 0.13 -0.63 -0.69 0.00 0.00 174.62 173.68 1nj4 s ILE 332 N 0.61 5.42 -0.16 1.82 1.01 0.59 -1.03 121.20 129.46 1nj4 s ILE 332 Ca -0.09 0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 1nj4 s ILE 332 Cb -0.13 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 1nj4 s ILE 332 CO 0.01 0.46 -0.10 0.20 0.00 0.00 0.00 174.94 175.51 1nj4 s ASN 333 N 0.23 4.12 -0.19 3.58 0.01 0.96 -1.14 114.94 122.50 1nj4 s ASN 333 Ca 0.09 -0.34 -0.07 0.00 -0.71 0.00 0.00 52.86 51.82 1nj4 s ASN 333 Cb -0.11 -1.66 -0.04 0.00 0.41 0.00 0.00 41.25 39.86 1nj4 s ASN 333 CO -0.01 0.11 0.06 -0.36 -1.51 0.00 0.00 177.10 175.38 1nj4 s PHE 334 N 0.70 3.20 0.10 2.20 0.40 0.19 -1.43 117.98 123.34 1nj4 s PHE 334 Ca -0.05 -0.04 0.04 0.00 -0.60 0.00 0.00 56.93 56.28 1nj4 s PHE 334 Cb -0.15 -2.10 -0.04 0.00 0.51 0.00 0.00 43.02 41.24 1nj4 s PHE 334 CO 0.02 0.04 -0.10 1.14 0.70 0.00 0.00 175.22 177.02 1nj4 s GLN 335 N 0.62 0.86 -0.02 0.44 -2.07 0.17 -0.23 119.66 119.42 1nj4 s GLN 335 Ca 0.03 -1.19 -0.00 0.00 -1.82 0.00 0.00 55.36 52.38 1nj4 s GLN 335 Cb -0.13 -0.52 0.03 0.00 -1.09 0.00 0.00 33.01 31.30 1nj4 s GLN 335 CO 0.02 0.07 0.03 -1.17 -1.32 0.00 0.00 175.29 172.92 1nj4 s LEU 336 N -2.53 1.01 -1.46 2.60 2.96 -0.58 -0.28 118.68 120.41 1nj4 s LEU 336 Ca 0.06 0.03 -0.12 0.00 -0.22 0.00 0.00 54.13 53.89 1nj4 s LEU 336 Cb -0.02 -0.10 0.08 0.00 0.50 0.00 0.00 46.19 46.65 1nj4 s LEU 336 CO -0.00 -0.14 0.73 0.47 -1.32 0.00 0.00 176.35 176.09 1nj4 n ASP 337 N 4.27 -4.36 0.00 3.68 8.00 -1.26 -1.02 116.55 125.86 1nj4 n ASP 337 Ca -0.26 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.64 1nj4 n ASP 337 Cb 0.50 -3.53 0.00 0.00 -0.02 0.00 0.00 41.12 38.07 1nj4 n ASP 337 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nj4 n GLY 338 N -1.43 0.55 3.65 0.44 0.00 -1.26 -4.99 105.19 102.15 1nj4 n GLY 338 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1nj4 n GLY 338 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nj4 s LYS 339 N -0.46 4.08 -0.31 1.61 1.02 -0.19 -5.04 119.74 120.47 1nj4 s LYS 339 Ca 0.00 -0.09 -0.29 0.00 0.02 0.00 0.00 55.97 55.61 1nj4 s LYS 339 Cb 0.00 -3.57 -0.01 0.00 -0.52 0.00 0.00 37.83 33.74 1nj4 s LYS 339 CO 0.00 -0.04 1.45 0.99 -0.92 0.00 0.00 175.35 176.82 1nj4 s THR 340 N 1.36 3.91 -0.67 2.17 2.01 -1.26 -1.53 115.64 121.62 1nj4 s THR 340 Ca 0.12 1.00 0.22 0.00 0.31 0.00 0.00 61.69 63.34 1nj4 s THR 340 Cb -0.14 -4.01 -0.23 0.00 0.01 0.00 0.00 72.50 68.12 1nj4 s THR 340 CO 0.07 -0.49 0.83 2.30 -0.69 0.00 0.00 174.62 176.64 1nj4 n ILE 341 N 6.56 0.03 -3.67 1.82 -5.35 0.68 -4.95 119.36 114.47 1nj4 n ILE 341 Ca 0.17 -0.18 -0.14 0.00 -0.27 0.00 0.00 62.75 62.34 1nj4 n ILE 341 Cb 0.47 0.57 -0.08 0.00 -1.74 0.00 0.00 39.64 38.86 1nj4 n ILE 341 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1nj4 s GLU 342 N -3.17 0.71 -0.05 6.28 2.56 -1.10 -5.01 118.70 118.91 1nj4 s GLU 342 Ca 0.03 0.83 0.03 0.00 0.00 0.00 0.00 54.97 55.86 1nj4 s GLU 342 Cb 0.15 0.35 0.00 0.00 2.00 0.00 0.00 34.13 36.63 1nj4 s GLU 342 CO 0.86 -0.09 -0.15 -0.65 -0.56 0.00 0.00 175.26 174.68 1nj4 s GLN 343 N 0.29 1.73 0.04 4.30 -0.21 -1.26 -0.64 119.66 123.91 1nj4 s GLN 343 Ca -0.00 -0.51 0.03 0.00 0.02 0.00 0.00 55.36 54.89 1nj4 s GLN 343 Cb -0.04 -1.46 -0.02 0.00 1.00 0.00 0.00 33.01 32.49 1nj4 s GLN 343 CO 0.01 0.14 -0.09 1.03 -2.12 0.00 0.00 175.29 174.26 1nj4 s ARG 344 N 0.31 0.57 0.31 2.91 1.81 -0.29 -4.97 118.95 119.59 1nj4 s ARG 344 Ca -0.09 -0.75 -0.29 0.00 -1.72 0.00 0.00 55.73 52.88 1nj4 s ARG 344 Cb -0.13 -0.38 -0.11 0.00 -0.45 0.00 0.00 34.95 33.88 1nj4 s ARG 344 CO 0.03 0.08 1.50 -2.14 -0.68 0.00 0.00 175.30 174.08 1nj4 s PRO 345 N -1.49 4.18 -0.25 3.54 0.02 -1.26 -0.30 135.00 139.44 1nj4 s PRO 345 Ca -0.08 2.47 -0.11 0.00 0.02 0.00 0.00 61.00 63.30 1nj4 s PRO 345 Cb -0.09 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.34 1nj4 s PRO 345 CO 0.01 -0.51 0.18 -1.17 -0.33 0.00 0.00 177.00 175.18 1nj4 s LEU 346 N -1.02 4.10 0.29 -5.54 2.96 0.80 -4.69 118.68 115.58 1nj4 s LEU 346 Ca 0.58 0.12 0.11 0.00 -0.22 0.00 0.00 54.13 54.71 1nj4 s LEU 346 Cb -0.45 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.05 1nj4 s LEU 346 CO 0.51 0.03 -0.11 0.68 -1.32 0.00 0.00 176.35 176.14 1nj4 s VAL 347 N 1.23 2.73 -0.02 1.68 -7.23 0.50 -0.72 120.40 118.57 1nj4 s VAL 347 Ca 0.08 -2.21 -0.30 0.00 -1.81 0.00 0.00 61.98 57.75 1nj4 s VAL 347 Cb -0.14 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 1nj4 s VAL 347 CO 0.06 -0.35 1.00 -0.69 -0.31 0.00 0.00 175.10 174.82 1nj4 s VAL 348 N -2.47 4.79 -0.00 1.32 1.01 -0.34 -1.05 120.40 123.65 1nj4 s VAL 348 Ca 0.31 2.01 0.11 0.00 0.00 0.00 0.00 61.98 64.42 1nj4 s VAL 348 Cb -0.04 -4.29 -0.17 0.00 0.00 0.00 0.00 36.38 31.88 1nj4 s VAL 348 CO 0.17 0.12 1.03 -0.07 0.00 0.00 0.00 175.10 176.35 1nj4 h LEU 349 N 7.13 0.00 -7.97 3.92 3.38 -0.53 0.69 115.31 121.94 1nj4 h LEU 349 Ca -0.38 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.11 1nj4 h LEU 349 Cb 1.20 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.63 1nj4 h LEU 349 CO 0.78 0.88 -0.80 -1.10 0.09 0.00 0.00 178.44 178.29 1nj4 s GLN 350 N -2.73 1.31 0.29 1.13 1.11 -1.26 -4.68 119.66 114.84 1nj4 s GLN 350 Ca -0.01 -0.35 -0.30 0.00 0.01 0.00 0.00 55.36 54.72 1nj4 s GLN 350 Cb 0.09 -1.15 -0.12 0.00 -1.01 0.00 0.00 33.01 30.81 1nj4 s GLN 350 CO 0.81 0.06 1.42 -1.91 0.01 0.00 0.00 175.29 175.68 1nj4 n GLU 351 N 3.60 2.26 -3.79 2.91 2.13 -1.26 -4.69 120.64 121.79 1nj4 n GLU 351 Ca -0.21 0.80 -0.30 0.00 0.66 0.00 0.00 57.16 58.11 1nj4 n GLU 351 Cb 0.52 -2.47 -0.14 0.00 0.27 0.00 0.00 31.44 29.63 1nj4 n GLU 351 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1nj4 s ILE 352 N -0.45 1.40 0.66 6.31 1.01 0.76 -4.95 121.20 125.94 1nj4 s ILE 352 Ca 0.62 -2.03 -0.17 0.00 0.00 0.00 0.00 60.65 59.07 1nj4 s ILE 352 Cb -0.58 -2.02 -0.00 0.00 0.01 0.00 0.00 42.46 39.87 1nj4 s ILE 352 CO 0.54 -0.73 1.23 -2.84 0.00 0.00 0.00 174.94 173.14 1nj4 s PRO 353 N 1.00 2.56 0.30 2.79 0.02 -1.26 -0.40 135.00 140.01 1nj4 s PRO 353 Ca 0.13 1.87 -0.29 0.00 0.02 0.00 0.00 61.00 62.72 1nj4 s PRO 353 Cb -0.20 -1.87 -0.11 0.00 0.02 0.00 0.00 34.50 32.34 1nj4 s PRO 353 CO -0.13 -1.54 1.49 -2.00 -0.33 0.00 0.00 177.00 174.49 1nj4 s GLU 354 N -3.55 4.19 0.00 5.54 2.12 -1.26 -1.07 118.70 124.67 1nj4 s GLU 354 Ca 0.78 2.44 0.00 0.00 0.36 0.00 0.00 54.97 58.55 1nj4 s GLU 354 Cb -0.32 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.02 1nj4 s GLU 354 CO 0.39 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 175.03