#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4p h THR 15 N 0.00 1.00 -0.17 0.00 1.35 -2.05 0.16 112.91 113.22 1j4p h THR 15 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1j4p h THR 15 Cb 0.00 0.50 -0.01 0.00 -1.73 0.00 0.00 68.15 66.91 1j4p h THR 15 CO 0.00 0.08 0.10 -0.61 -0.25 0.00 0.00 175.52 174.85 1j4p h GLN 16 N 0.46 0.21 -0.17 4.72 4.15 -2.06 0.18 115.11 122.61 1j4p h GLN 16 Ca 0.20 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.46 1j4p h GLN 16 Cb 0.22 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.86 1j4p h GLN 16 CO -0.05 0.14 -0.49 -0.09 -1.93 0.00 0.00 178.83 176.40 1j4p h ARG 17 N 0.21 0.63 -0.90 1.69 2.43 -1.85 -3.14 114.38 113.46 1j4p h ARG 17 Ca 0.06 -0.45 0.07 0.00 -0.81 0.00 0.00 59.98 58.85 1j4p h ARG 17 Cb -0.02 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.55 1j4p h ARG 17 CO -0.02 1.07 0.58 0.35 -1.51 0.00 0.00 179.97 180.45 1j4p h PHE 18 N 0.30 1.02 -0.64 2.20 3.57 -0.52 0.60 116.94 123.46 1j4p h PHE 18 Ca -0.01 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1j4p h PHE 18 Cb 1.12 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 1j4p h PHE 18 CO 0.10 0.51 0.42 1.25 -2.23 0.00 0.00 178.31 178.36 1j4p h LEU 19 N 0.98 0.71 -0.02 0.59 5.85 -0.60 0.84 115.31 123.67 1j4p h LEU 19 Ca 0.40 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.06 1j4p h LEU 19 Cb 0.26 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1j4p h LEU 19 CO -0.16 0.51 -0.14 0.40 -0.34 0.00 0.00 178.44 178.72 1j4p h ILE 20 N 0.85 1.50 -0.24 4.05 2.04 -1.19 -3.23 117.51 121.30 1j4p h ILE 20 Ca 0.24 -1.68 -0.00 0.00 1.00 0.00 0.00 64.86 64.42 1j4p h ILE 20 Cb -0.07 2.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1j4p h ILE 20 CO -0.06 0.46 0.14 -0.08 0.00 0.00 0.00 178.15 178.60 1j4p h GLU 21 N -0.48 0.31 -0.42 2.37 4.81 0.33 -2.15 114.58 119.35 1j4p h GLU 21 Ca -0.01 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.32 1j4p h GLU 21 Cb 0.82 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1j4p h GLU 21 CO 0.03 0.23 0.50 0.87 -0.73 0.00 0.00 179.01 179.91 1j4p h LYS 22 N 0.32 0.00 -0.02 1.92 1.57 0.71 0.43 116.57 121.50 1j4p h LYS 22 Ca 0.09 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1j4p h LYS 22 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1j4p h LYS 22 CO -0.02 0.00 -0.13 0.74 -0.57 0.00 0.00 179.45 179.48 1j4p h PHE 23 N 0.00 0.16 0.18 -1.35 -1.00 -1.54 -3.38 116.94 110.00 1j4p h PHE 23 Ca 0.20 -0.07 -0.30 0.00 2.81 0.00 0.00 57.97 60.60 1j4p h PHE 23 Cb 1.20 -0.02 0.01 0.00 3.61 0.00 0.00 35.95 40.75 1j4p h PHE 23 CO 0.00 0.80 -1.47 0.77 -1.61 0.00 0.00 178.31 176.80 1j4p h SER 24 N -0.53 0.58 0.00 2.17 0.02 -1.21 -3.47 113.55 111.11 1j4p h SER 24 Ca -0.01 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.02 1j4p h SER 24 Cb 0.82 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1j4p h SER 24 CO 0.03 1.67 0.00 0.00 -1.14 0.00 0.00 176.83 177.39 1j4p n GLN 25 N -3.79 0.00 -1.76 3.45 -0.00 0.13 -4.57 117.38 110.85 1j4p n GLN 25 Ca -0.22 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.36 1j4p n GLN 25 Cb 1.00 0.00 -0.03 0.00 -0.00 0.00 0.00 30.24 31.21 1j4p n GLN 25 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1j4p s GLU 26 N 0.00 4.15 0.41 2.61 8.01 -1.26 -4.95 118.70 127.67 1j4p s GLU 26 Ca 0.00 2.51 -0.25 0.00 0.01 0.00 0.00 54.97 57.24 1j4p s GLU 26 Cb 0.00 -4.03 -0.08 0.00 -4.31 0.00 0.00 34.13 25.71 1j4p s GLU 26 CO 0.00 -0.91 1.20 -1.14 0.01 0.00 0.00 175.26 174.42 1j4p s GLN 27 N 4.07 4.01 0.22 1.61 0.74 -1.26 -4.96 119.66 124.08 1j4p s GLN 27 Ca 0.84 1.90 -0.30 0.00 0.05 0.00 0.00 55.36 57.85 1j4p s GLN 27 Cb -0.41 -2.67 -0.09 0.00 1.10 0.00 0.00 33.01 30.94 1j4p s GLN 27 CO 0.38 -0.38 0.95 0.42 -0.55 0.00 0.00 175.29 176.11 1j4p s ILE 28 N -1.39 4.12 0.00 -2.34 -1.09 -1.26 -4.80 121.20 114.44 1j4p s ILE 28 Ca 0.58 2.07 0.00 0.00 -2.23 0.00 0.00 60.65 61.07 1j4p s ILE 28 Cb -0.32 -4.32 0.00 0.00 -1.58 0.00 0.00 42.46 36.24 1j4p s ILE 28 CO 0.40 0.47 0.00 0.61 -1.23 0.00 0.00 174.94 175.19 1j4p n GLY 29 N 1.59 0.00 0.37 6.18 0.00 -1.26 -4.95 105.19 107.12 1j4p n GLY 29 Ca -0.01 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1j4p n GLY 29 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1j4p h GLU 30 N 0.00 0.78 0.00 1.61 4.81 -2.02 -3.36 114.58 116.40 1j4p h GLU 30 Ca 0.00 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1j4p h GLU 30 Cb 0.00 -0.18 -0.06 0.00 0.63 0.00 0.00 28.75 29.15 1j4p h GLU 30 CO 0.00 0.52 -0.12 0.09 -0.73 0.00 0.00 179.01 178.77 1j4p n ASN 31 N -4.54 -0.48 -4.73 1.04 3.02 -1.26 -5.03 115.26 103.28 1j4p n ASN 31 Ca 0.16 -1.06 -0.41 0.00 -0.03 0.00 0.00 54.58 53.24 1j4p n ASN 31 Cb 0.36 0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 39.67 1j4p n ASN 31 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1j4p s ILE 32 N 0.02 4.58 -0.12 2.41 -1.09 -1.26 -0.75 121.20 125.00 1j4p s ILE 32 Ca 0.01 2.02 -0.08 0.00 -2.23 0.00 0.00 60.65 60.38 1j4p s ILE 32 Cb 0.06 -4.30 -0.03 0.00 -1.58 0.00 0.00 42.46 36.61 1j4p s ILE 32 CO -0.02 0.30 -0.16 0.52 -1.23 0.00 0.00 174.94 174.35 1j4p n VAL 33 N 2.97 1.13 -3.84 2.92 0.31 0.47 -4.51 118.33 117.79 1j4p n VAL 33 Ca 0.02 0.27 -0.12 0.00 -0.01 0.00 0.00 64.34 64.51 1j4p n VAL 33 Cb 0.50 -2.21 -0.10 0.00 -0.91 0.00 0.00 33.84 31.12 1j4p n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1j4p s ARG 35 N -1.22 3.36 -0.23 0.00 3.00 0.32 -0.71 118.95 123.45 1j4p s ARG 35 Ca -0.13 -0.67 -0.16 0.00 -1.00 0.00 0.00 55.73 53.77 1j4p s ARG 35 Cb -0.06 -2.77 -0.04 0.00 0.00 0.00 0.00 34.95 32.08 1j4p s ARG 35 CO 0.02 0.03 0.41 0.08 0.00 0.00 0.00 175.30 175.84 1j4p s VAL 36 N 0.84 5.17 -0.13 7.11 1.01 -1.05 0.12 120.40 133.46 1j4p s VAL 36 Ca -0.03 0.69 -0.00 0.00 0.00 0.00 0.00 61.98 62.64 1j4p s VAL 36 Cb -0.15 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.52 1j4p s VAL 36 CO 0.01 0.19 -0.10 -0.63 0.00 0.00 0.00 175.10 174.57 1j4p s ILE 37 N 1.74 1.24 -0.29 2.22 1.01 0.32 -2.44 121.20 125.01 1j4p s ILE 37 Ca 0.18 -0.46 -0.29 0.00 0.00 0.00 0.00 60.65 60.08 1j4p s ILE 37 Cb -0.15 -1.24 0.01 0.00 0.01 0.00 0.00 42.46 41.09 1j4p s ILE 37 CO 0.09 0.37 1.06 0.00 0.00 0.00 0.00 174.94 176.45 1j4p h THR 39 N 5.63 0.63 0.00 0.00 1.35 -1.92 -3.28 112.91 115.32 1j4p h THR 39 Ca -0.20 -2.04 0.00 0.00 -0.55 0.00 0.00 66.41 63.62 1j4p h THR 39 Cb 1.06 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.66 1j4p h THR 39 CO 1.01 0.36 0.00 0.35 -0.25 0.00 0.00 175.52 176.99 1j4p n THR 40 N -3.03 0.01 -2.63 6.82 -2.24 -1.26 -4.95 114.28 107.00 1j4p n THR 40 Ca -0.04 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.70 1j4p n THR 40 Cb 0.78 -0.51 0.01 0.00 -2.10 0.00 0.00 70.33 68.50 1j4p n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j4p n GLY 41 N 1.08 -1.15 0.86 3.38 0.00 -1.24 -4.99 105.19 103.13 1j4p n GLY 41 Ca 0.19 0.79 0.00 0.00 0.00 0.00 0.00 46.02 47.01 1j4p n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j4p n GLN 42 N -0.73 0.00 -4.77 1.61 6.02 -1.26 -5.11 117.38 113.14 1j4p n GLN 42 Ca 0.07 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.73 1j4p n GLN 42 Cb 0.41 -0.18 -0.12 0.00 1.02 0.00 0.00 30.24 31.36 1j4p n GLN 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1j4p s ILE 43 N -1.43 3.18 0.28 5.09 1.01 -1.26 -4.52 121.20 123.55 1j4p s ILE 43 Ca 0.00 -0.76 -0.29 0.00 0.00 0.00 0.00 60.65 59.60 1j4p s ILE 43 Cb 0.00 -2.28 -0.10 0.00 0.01 0.00 0.00 42.46 40.09 1j4p s ILE 43 CO 0.00 0.53 1.15 -2.16 0.00 0.00 0.00 174.94 174.47 1j4p s PRO 44 N -0.92 4.57 0.51 2.79 0.04 -1.26 -4.28 135.00 136.44 1j4p s PRO 44 Ca 0.13 1.89 -0.22 0.00 0.04 0.00 0.00 61.00 62.84 1j4p s PRO 44 Cb -0.11 -3.17 -0.07 0.00 0.04 0.00 0.00 34.50 31.19 1j4p s PRO 44 CO 0.02 0.10 1.12 -0.89 0.04 0.00 0.00 177.00 177.38 1j4p n ILE 45 N 1.28 3.22 -4.05 0.56 5.41 -1.26 -4.89 119.36 119.63 1j4p n ILE 45 Ca -0.00 -0.50 -0.09 0.00 1.00 0.00 0.00 62.75 63.16 1j4p n ILE 45 Cb 0.44 -1.34 -0.09 0.00 -0.71 0.00 0.00 39.64 37.94 1j4p n ILE 45 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1j4p s ARG 46 N -2.51 0.95 -0.19 0.38 3.52 -1.02 -5.05 118.95 115.03 1j4p s ARG 46 Ca 0.69 -1.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.02 1j4p s ARG 46 Cb -0.47 0.29 0.02 0.00 -1.56 0.00 0.00 34.95 33.23 1j4p s ARG 46 CO 0.52 -0.29 -0.17 -0.51 -0.81 0.00 0.00 175.30 174.03 1j4p s ASP 47 N -2.99 3.35 -0.01 -2.12 1.11 -1.26 -2.53 116.67 112.23 1j4p s ASP 47 Ca 0.18 -0.66 -0.17 0.00 0.18 0.00 0.00 52.55 52.08 1j4p s ASP 47 Cb 0.06 -1.52 -0.06 0.00 1.07 0.00 0.00 42.92 42.47 1j4p s ASP 47 CO -0.02 -0.01 0.48 -0.76 1.18 0.00 0.00 175.17 176.04 1j4p s LEU 48 N 1.30 4.44 0.07 1.23 1.43 0.11 -5.01 118.68 122.25 1j4p s LEU 48 Ca 0.04 1.03 -0.09 0.00 -1.03 0.00 0.00 54.13 54.08 1j4p s LEU 48 Cb -0.14 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.37 1j4p s LEU 48 CO -0.11 0.23 0.20 -0.94 0.23 0.00 0.00 176.35 175.96 1j4p s SER 49 N -0.67 0.07 -0.03 2.29 1.04 -1.26 -0.39 113.70 114.74 1j4p s SER 49 Ca 0.26 -0.52 -0.05 0.00 0.48 0.00 0.00 55.95 56.12 1j4p s SER 49 Cb -0.17 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.28 1j4p s SER 49 CO 0.14 -0.67 0.13 0.00 0.98 0.00 0.00 173.24 173.82 1j4p s ALA 50 N -3.35 -0.31 0.03 5.32 0.00 0.07 -4.79 121.76 118.73 1j4p s ALA 50 Ca 0.01 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.85 1j4p s ALA 50 Cb 0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 1j4p s ALA 50 CO -0.08 -0.11 1.20 -0.51 0.00 0.00 0.00 175.76 176.25 1j4p s ASP 51 N -0.44 7.08 0.18 0.00 1.11 -1.26 -4.63 116.67 118.71 1j4p s ASP 51 Ca -0.05 1.96 -0.10 0.00 0.18 0.00 0.00 52.55 54.54 1j4p s ASP 51 Cb -0.03 -2.57 0.09 0.00 1.07 0.00 0.00 42.92 41.47 1j4p s ASP 51 CO 0.01 -0.49 1.71 0.40 1.18 0.00 0.00 175.17 177.97 1j4p h ILE 52 N 4.65 1.25 -0.94 0.77 2.04 -1.96 -1.72 117.51 121.60 1j4p h ILE 52 Ca -0.40 -0.89 0.01 0.00 1.00 0.00 0.00 64.86 64.58 1j4p h ILE 52 Cb 1.20 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 1j4p h ILE 52 CO 0.83 0.34 0.61 0.28 0.00 0.00 0.00 178.15 180.20 1j4p h SER 53 N 0.94 1.09 -0.42 1.72 0.02 -1.97 0.74 113.55 115.67 1j4p h SER 53 Ca 0.21 -0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 60.97 1j4p h SER 53 Cb 0.32 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1j4p h SER 53 CO -0.00 0.81 -0.32 1.56 -1.14 0.00 0.00 176.83 177.73 1j4p h GLN 54 N 1.28 0.97 -0.12 3.45 1.08 -1.91 0.30 115.11 120.17 1j4p h GLN 54 Ca 0.34 -0.47 -0.14 0.00 -1.45 0.00 0.00 58.65 56.93 1j4p h GLN 54 Cb -0.12 -0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.31 1j4p h GLN 54 CO -0.07 1.14 -0.48 0.28 -0.95 0.00 0.00 178.83 178.75 1j4p h VAL 55 N 0.81 1.36 -0.16 -0.54 2.07 -0.70 0.48 116.25 119.57 1j4p h VAL 55 Ca 0.08 -1.78 -0.15 0.00 0.82 0.00 0.00 66.70 65.67 1j4p h VAL 55 Cb 0.91 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 1j4p h VAL 55 CO 0.08 0.54 -0.54 0.25 0.02 0.00 0.00 177.57 177.93 1j4p h LEU 56 N 0.14 0.51 0.18 2.57 6.46 0.47 -3.22 115.31 122.42 1j4p h LEU 56 Ca -0.03 -0.27 -0.31 0.00 -0.12 0.00 0.00 57.88 57.15 1j4p h LEU 56 Cb 1.11 -0.15 0.02 0.00 -0.73 0.00 0.00 40.66 40.91 1j4p h LEU 56 CO 0.10 0.95 -1.44 0.50 -0.62 0.00 0.00 178.44 177.92 1j4p h LYS 57 N 0.36 0.38 -4.26 1.25 3.64 -0.42 -3.41 116.57 114.10 1j4p h LYS 57 Ca 0.01 -0.65 -0.74 0.00 -1.27 0.00 0.00 60.65 57.99 1j4p h LYS 57 Cb 1.06 0.24 -0.23 0.00 -0.41 0.00 0.00 32.23 32.89 1j4p h LYS 57 CO 0.10 1.29 -0.07 -2.00 -2.27 0.00 0.00 179.45 176.50 1j4p s GLU 58 N -2.62 3.07 -0.98 1.90 2.12 0.17 -4.96 118.70 117.40 1j4p s GLU 58 Ca -0.08 -1.66 -0.01 0.00 0.36 0.00 0.00 54.97 53.58 1j4p s GLU 58 Cb 0.06 -4.31 0.31 0.00 0.26 0.00 0.00 34.13 30.45 1j4p s GLU 58 CO 0.90 -1.40 1.57 0.36 -0.54 0.00 0.00 175.26 176.15 1j4p n LYS 59 N 5.48 4.76 -0.59 4.30 2.85 -1.26 -4.59 118.16 129.11 1j4p n LYS 59 Ca -0.10 -4.65 0.00 0.00 -1.05 0.00 0.00 58.31 52.51 1j4p n LYS 59 Cb 0.41 -2.45 0.00 0.00 -0.65 0.00 0.00 35.03 32.34 1j4p n LYS 59 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1j4p n ARG 60 N 0.44 2.61 0.04 -1.58 3.00 -1.26 -5.03 116.66 114.88 1j4p n ARG 60 Ca 0.37 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 58.12 1j4p n ARG 60 Cb 0.30 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.72 1j4p n ARG 60 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1j4p h SER 61 N 0.00 -0.52 -5.13 6.15 0.87 -1.97 -3.41 113.55 109.53 1j4p h SER 61 Ca 0.00 0.08 -0.12 0.00 -1.23 0.00 0.00 61.79 60.52 1j4p h SER 61 Cb 0.00 0.23 -0.16 0.00 -0.44 0.00 0.00 62.40 62.02 1j4p h SER 61 CO 0.00 -0.23 -0.54 -0.51 -0.53 0.00 0.00 176.83 175.02 1j4p s ILE 62 N -6.12 0.15 0.00 2.23 1.10 -1.26 -3.87 121.20 113.43 1j4p s ILE 62 Ca -0.15 -1.26 0.00 0.00 -0.51 0.00 0.00 60.65 58.73 1j4p s ILE 62 Cb 0.09 -1.09 0.00 0.00 0.15 0.00 0.00 42.46 41.61 1j4p s ILE 62 CO 0.67 -0.70 0.00 0.29 -2.11 0.00 0.00 174.94 173.09 1j4p n LYS 63 N 0.50 0.00 -4.69 3.50 4.01 -0.20 -5.00 118.16 116.28 1j4p n LYS 63 Ca -0.17 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.39 1j4p n LYS 63 Cb 0.60 -0.09 -0.15 0.00 -0.51 0.00 0.00 35.03 34.88 1j4p n LYS 63 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1j4p s LYS 64 N -0.19 1.28 -0.01 1.97 2.20 -1.10 -4.99 119.74 118.90 1j4p s LYS 64 Ca 0.00 -0.53 0.05 0.00 -0.36 0.00 0.00 55.97 55.13 1j4p s LYS 64 Cb 0.00 -1.21 -0.01 0.00 -1.51 0.00 0.00 37.83 35.10 1j4p s LYS 64 CO 0.00 0.29 -0.15 0.08 -0.36 0.00 0.00 175.35 175.21 1j4p s VAL 65 N -0.25 1.20 -0.12 4.02 1.01 -1.26 -0.46 120.40 124.54 1j4p s VAL 65 Ca 0.04 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 1j4p s VAL 65 Cb -0.07 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1j4p s VAL 65 CO -0.00 0.34 0.10 0.26 0.00 0.00 0.00 175.10 175.80 1j4p s TRP 66 N -0.30 3.47 -0.16 5.22 0.51 0.54 -4.89 118.94 123.33 1j4p s TRP 66 Ca 0.05 0.43 -0.02 0.00 -2.12 0.00 0.00 56.10 54.43 1j4p s TRP 66 Cb -0.06 -1.91 -0.02 0.00 -0.81 0.00 0.00 33.47 30.67 1j4p s TRP 66 CO -0.00 0.64 -0.08 0.99 -0.51 0.00 0.00 176.95 177.99 1j4p s THR 67 N -0.91 3.37 0.05 2.01 2.01 -1.26 0.14 115.64 121.05 1j4p s THR 67 Ca 0.14 -0.53 0.08 0.00 0.31 0.00 0.00 61.69 61.69 1j4p s THR 67 Cb -0.12 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 1j4p s THR 67 CO 0.03 0.49 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.90 1j4p s PHE 68 N 0.67 2.52 -4.61 4.92 0.40 0.52 0.15 117.98 122.55 1j4p s PHE 68 Ca -0.04 -0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 1j4p s PHE 68 Cb -0.15 -1.43 0.00 0.00 0.51 0.00 0.00 43.02 41.95 1j4p s PHE 68 CO 0.02 0.26 0.00 0.41 0.70 0.00 0.00 175.22 176.61 1j4p n GLY 69 N 1.45 -1.42 0.02 4.36 0.00 -0.87 0.17 105.19 108.90 1j4p n GLY 69 Ca -0.16 -1.20 0.11 0.00 0.00 0.00 0.00 46.02 44.77 1j4p n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4p n ARG 70 N -0.02 1.02 -2.97 1.61 1.74 0.93 -1.86 116.66 117.10 1j4p n ARG 70 Ca 0.00 -0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.65 1j4p n ARG 70 Cb 0.00 -1.36 -0.05 0.00 -1.02 0.00 0.00 32.46 30.03 1j4p n ARG 70 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1j4p s ASN 71 N -1.71 7.19 0.16 0.55 3.04 0.71 -4.81 114.94 120.06 1j4p s ASN 71 Ca 0.34 1.42 0.18 0.00 0.04 0.00 0.00 52.86 54.85 1j4p s ASN 71 Cb 0.16 -2.47 0.80 0.00 -1.54 0.00 0.00 41.25 38.20 1j4p s ASN 71 CO 0.27 -0.03 1.55 -2.65 -3.04 0.00 0.00 177.10 173.20 1j4p n PRO 72 N 3.04 0.11 0.04 0.43 -0.02 -1.26 -2.09 135.00 135.24 1j4p n PRO 72 Ca -0.02 0.41 -0.21 0.00 -2.02 0.00 0.00 63.50 61.66 1j4p n PRO 72 Cb 0.50 -1.74 -0.14 0.00 -0.02 0.00 0.00 33.50 32.10 1j4p n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j4p h ALA 73 N 2.26 0.06 -1.10 3.55 0.00 -1.94 -3.47 119.26 118.63 1j4p h ALA 73 Ca 0.00 -0.95 -0.68 0.00 0.00 0.00 0.00 54.91 53.28 1j4p h ALA 73 Cb 0.24 0.33 0.10 0.00 0.00 0.00 0.00 17.79 18.46 1j4p h ALA 73 CO 0.00 0.69 -0.37 0.00 0.00 0.00 0.00 179.25 179.57 1j4p h ASP 75 N 1.44 0.00 -3.19 0.00 3.32 0.11 -3.36 116.42 114.74 1j4p h ASP 75 Ca -0.33 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.20 1j4p h ASP 75 Cb 1.43 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.61 1j4p h ASP 75 CO 0.59 0.00 -0.80 -0.47 -1.72 0.00 0.00 179.24 176.84 1j4p s TYR 76 N -3.84 1.45 -0.42 4.55 5.04 -0.16 -4.92 117.35 119.06 1j4p s TYR 76 Ca -0.03 -0.71 -0.15 0.00 -2.44 0.00 0.00 57.07 53.73 1j4p s TYR 76 Cb 0.08 -1.21 0.03 0.00 0.35 0.00 0.00 41.96 41.21 1j4p s TYR 76 CO 0.25 -0.50 0.34 -1.58 -1.34 0.00 0.00 175.55 172.72 1j4p s HIS 77 N 1.70 3.23 0.00 4.97 2.46 -1.26 -2.06 115.29 124.33 1j4p s HIS 77 Ca 0.05 -0.61 0.00 0.00 0.47 0.00 0.00 55.06 54.96 1j4p s HIS 77 Cb -0.13 -2.74 0.00 0.00 -0.13 0.00 0.00 32.58 29.59 1j4p s HIS 77 CO -0.08 -0.64 0.00 1.28 -2.47 0.00 0.00 174.74 172.83 1j4p n LEU 78 N 5.24 0.00 0.00 8.88 4.77 -0.78 -4.76 117.00 130.35 1j4p n LEU 78 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1j4p n LEU 78 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1j4p n LEU 78 CO 0.43 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1j4p n GLY 79 N 5.00 1.83 0.00 -0.72 0.00 -1.26 -4.91 105.19 105.13 1j4p n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1j4p n GLY 79 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1j4p n ASN 80 N -0.23 0.00 -4.28 1.61 0.23 -1.26 -5.00 115.26 106.33 1j4p n ASN 80 Ca 0.00 0.00 -0.35 0.00 -0.53 0.00 0.00 54.58 53.70 1j4p n ASN 80 Cb 0.00 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.56 1j4p n ASN 80 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1j4p s ILE 81 N 0.00 3.34 0.46 1.53 1.01 -1.26 -4.98 121.20 121.29 1j4p s ILE 81 Ca 0.00 -0.68 0.19 0.00 0.00 0.00 0.00 60.65 60.15 1j4p s ILE 81 Cb 0.00 -2.61 0.37 0.00 0.01 0.00 0.00 42.46 40.23 1j4p s ILE 81 CO 0.00 0.30 1.94 0.28 0.00 0.00 0.00 174.94 177.46 1j4p h SER 82 N 8.11 0.27 0.37 3.58 0.02 -2.01 0.33 113.55 124.22 1j4p h SER 82 Ca -0.37 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1j4p h SER 82 Cb 1.14 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1j4p h SER 82 CO 0.60 0.14 0.00 0.03 -1.14 0.00 0.00 176.83 176.46 1j4p h ARG 83 N 0.29 0.00 -6.26 3.45 2.47 -1.92 -3.42 114.38 108.99 1j4p h ARG 83 Ca 0.34 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 58.41 1j4p h ARG 83 Cb 0.91 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.11 1j4p h ARG 83 CO -0.08 0.00 -0.64 -0.51 0.56 0.00 0.00 179.97 179.29 1j4p s LEU 84 N -4.71 3.56 0.46 3.04 1.43 0.11 -4.28 118.68 118.30 1j4p s LEU 84 Ca 0.00 -0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1j4p s LEU 84 Cb 0.08 -2.22 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 1j4p s LEU 84 CO 0.31 0.20 0.69 -0.94 0.23 0.00 0.00 176.35 176.85 1j4p s SER 85 N -2.14 5.80 0.23 2.29 1.04 -1.26 -4.82 113.70 114.83 1j4p s SER 85 Ca 0.25 0.31 -0.16 0.00 0.48 0.00 0.00 55.95 56.83 1j4p s SER 85 Cb -0.12 -1.52 0.26 0.00 0.10 0.00 0.00 66.02 64.74 1j4p s SER 85 CO 0.17 -0.74 1.57 0.78 0.98 0.00 0.00 173.24 176.00 1j4p h ASN 86 N 0.34 -1.17 -3.36 7.02 2.35 -1.92 -2.47 115.58 116.38 1j4p h ASN 86 Ca -0.46 0.28 -0.63 0.00 -0.55 0.00 0.00 56.30 54.94 1j4p h ASN 86 Cb 1.25 0.64 -0.42 0.00 0.05 0.00 0.00 38.32 39.85 1j4p h ASN 86 CO 0.57 -0.29 -0.57 -0.54 -1.65 0.00 0.00 177.43 174.95 1j4p s LYS 87 N -6.06 2.39 0.13 0.81 1.02 -1.26 -0.05 119.74 116.73 1j4p s LYS 87 Ca -0.14 -3.21 -0.17 0.00 0.02 0.00 0.00 55.97 52.46 1j4p s LYS 87 Cb 0.21 -3.42 -0.02 0.00 -0.52 0.00 0.00 37.83 34.08 1j4p s LYS 87 CO 0.73 -1.25 1.74 1.25 -0.92 0.00 0.00 175.35 176.90 1j4p h HIS 88 N 5.62 0.47 -4.04 3.18 2.76 0.21 -3.35 115.15 119.99 1j4p h HIS 88 Ca 0.10 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.16 1j4p h HIS 88 Cb 0.78 -0.15 -0.14 0.00 1.55 0.00 0.00 27.41 29.45 1j4p h HIS 88 CO 0.66 0.36 -0.53 -0.59 -1.30 0.00 0.00 177.93 176.53 1j4p s PHE 89 N -5.90 0.36 0.00 5.26 -0.71 -0.33 0.15 117.98 116.81 1j4p s PHE 89 Ca -0.13 -0.85 0.02 0.00 -1.04 0.00 0.00 56.93 54.93 1j4p s PHE 89 Cb 0.10 -0.23 -0.01 0.00 -1.21 0.00 0.00 43.02 41.67 1j4p s PHE 89 CO 0.72 -0.47 -0.05 -1.14 -1.34 0.00 0.00 175.22 172.94 1j4p s GLN 90 N -3.90 0.40 -0.11 1.99 0.74 0.51 0.19 119.66 119.49 1j4p s GLN 90 Ca 0.07 -0.27 0.03 0.00 0.05 0.00 0.00 55.36 55.24 1j4p s GLN 90 Cb 0.06 -0.35 -0.01 0.00 1.10 0.00 0.00 33.01 33.82 1j4p s GLN 90 CO -0.10 0.09 -0.20 0.42 -0.55 0.00 0.00 175.29 174.96 1j4p s ILE 91 N -0.33 2.45 0.02 -2.34 1.01 0.37 0.18 121.20 122.55 1j4p s ILE 91 Ca -0.00 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.80 1j4p s ILE 91 Cb -0.03 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1j4p s ILE 91 CO -0.00 0.55 -0.08 -1.48 0.00 0.00 0.00 174.94 173.92 1j4p s LEU 92 N 0.28 3.09 -0.09 2.97 2.34 -0.32 0.20 118.68 127.16 1j4p s LEU 92 Ca -0.14 -0.21 0.03 0.00 0.06 0.00 0.00 54.13 53.87 1j4p s LEU 92 Cb -0.17 -1.79 0.01 0.00 -0.56 0.00 0.00 46.19 43.68 1j4p s LEU 92 CO 0.07 0.27 -0.17 -0.22 -1.06 0.00 0.00 176.35 175.24 1j4p s LEU 93 N -1.52 1.80 0.00 1.48 2.96 0.39 -1.41 118.68 122.39 1j4p s LEU 93 Ca 0.17 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 1j4p s LEU 93 Cb -0.11 -1.07 0.00 0.00 0.50 0.00 0.00 46.19 45.51 1j4p s LEU 93 CO 0.08 0.07 0.00 0.61 -1.32 0.00 0.00 176.35 175.79 1j4p n GLY 94 N 3.82 -0.56 5.20 7.98 0.00 -1.26 -1.04 105.19 119.34 1j4p n GLY 94 Ca -0.21 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1j4p n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1j4p n GLU 95 N 0.00 0.00 0.00 1.61 -0.58 -1.25 -4.02 120.64 116.40 1j4p n GLU 95 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1j4p n GLU 95 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1j4p n GLU 95 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1j4p n ASP 96 N 1.81 0.00 -1.22 1.62 9.92 -1.26 -4.99 116.55 122.43 1j4p n ASP 96 Ca 0.00 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.28 1j4p n ASP 96 Cb 0.00 0.12 0.01 0.00 -0.64 0.00 0.00 41.12 40.61 1j4p n ASP 96 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1j4p n GLY 97 N -0.33 0.85 0.35 0.44 0.00 -1.26 -4.99 105.19 100.25 1j4p n GLY 97 Ca 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 46.02 45.42 1j4p n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1j4p n ASN 98 N 0.34 1.42 -4.24 1.61 3.02 -1.26 -4.79 115.26 111.36 1j4p n ASN 98 Ca 0.02 -1.22 -0.15 0.00 -0.03 0.00 0.00 54.58 53.19 1j4p n ASN 98 Cb 1.00 0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 40.14 1j4p n ASN 98 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1j4p s LEU 99 N 0.00 2.48 0.03 3.41 1.02 -1.26 -4.05 118.68 120.30 1j4p s LEU 99 Ca 0.01 -0.93 0.03 0.00 0.02 0.00 0.00 54.13 53.27 1j4p s LEU 99 Cb 0.00 -0.41 -0.02 0.00 0.02 0.00 0.00 46.19 45.79 1j4p s LEU 99 CO 0.01 -0.26 -0.10 -0.76 0.02 0.00 0.00 176.35 175.25 1j4p s LEU 100 N -2.87 2.14 -0.18 1.79 1.02 -0.50 -1.62 118.68 118.45 1j4p s LEU 100 Ca 0.13 -0.38 -0.02 0.00 0.02 0.00 0.00 54.13 53.88 1j4p s LEU 100 Cb -0.00 -0.41 -0.01 0.00 0.02 0.00 0.00 46.19 45.78 1j4p s LEU 100 CO 0.01 -0.01 -0.08 -0.76 0.02 0.00 0.00 176.35 175.53 1j4p s LEU 101 N -0.94 2.83 -0.24 1.79 1.02 -0.42 -1.17 118.68 121.55 1j4p s LEU 101 Ca -0.01 -0.36 -0.01 0.00 0.02 0.00 0.00 54.13 53.77 1j4p s LEU 101 Cb -0.07 -1.69 0.03 0.00 0.02 0.00 0.00 46.19 44.48 1j4p s LEU 101 CO 0.01 0.06 -0.08 0.21 0.02 0.00 0.00 176.35 176.56 1j4p s ASN 102 N 1.00 4.20 0.27 2.29 2.47 0.47 -2.24 114.94 123.41 1j4p s ASN 102 Ca -0.00 -0.91 -0.29 0.00 0.42 0.00 0.00 52.86 52.08 1j4p s ASN 102 Cb -0.15 -1.63 -0.09 0.00 -1.45 0.00 0.00 41.25 37.93 1j4p s ASN 102 CO -0.00 -0.12 1.00 1.51 -3.72 0.00 0.00 177.10 175.76 1j4p s ASP 103 N 1.30 7.45 -0.27 -4.21 1.47 -1.25 0.19 116.67 121.34 1j4p s ASP 103 Ca -0.00 2.04 0.19 0.00 1.18 0.00 0.00 52.55 55.96 1j4p s ASP 103 Cb -0.17 -2.61 0.46 0.00 -0.34 0.00 0.00 42.92 40.27 1j4p s ASP 103 CO -0.05 0.00 1.26 2.30 0.68 0.00 0.00 175.17 179.36 1j4p n ILE 104 N 1.21 0.78 -3.68 2.11 -5.35 -0.38 0.22 119.36 114.26 1j4p n ILE 104 Ca -0.01 -2.16 -0.25 0.00 -0.27 0.00 0.00 62.75 60.06 1j4p n ILE 104 Cb 0.47 1.18 -0.02 0.00 -1.74 0.00 0.00 39.64 39.52 1j4p n ILE 104 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1j4p s SER 105 N -2.80 6.35 0.22 7.28 0.01 0.39 -4.20 113.70 120.95 1j4p s SER 105 Ca 0.21 0.34 -0.02 0.00 1.31 0.00 0.00 55.95 57.79 1j4p s SER 105 Cb 0.36 -1.98 0.20 0.00 0.21 0.00 0.00 66.02 64.80 1j4p s SER 105 CO -0.07 -0.11 1.58 0.74 0.41 0.00 0.00 173.24 175.78 1j4p h THR 106 N 1.27 1.30 0.00 1.44 2.02 -1.88 -3.26 112.91 113.81 1j4p h THR 106 Ca -0.49 -1.61 -0.02 0.00 0.77 0.00 0.00 66.41 65.06 1j4p h THR 106 Cb 1.21 1.59 -0.00 0.00 -1.74 0.00 0.00 68.15 69.20 1j4p h THR 106 CO 0.65 0.51 -1.94 -0.46 0.37 0.00 0.00 175.52 174.65 1j4p n ASN 107 N -4.02 0.07 0.00 4.18 0.23 -1.26 -5.09 115.26 109.37 1j4p n ASN 107 Ca -0.02 0.03 0.00 0.00 -0.53 0.00 0.00 54.58 54.06 1j4p n ASN 107 Cb 0.53 1.83 0.00 0.00 -2.08 0.00 0.00 39.78 40.06 1j4p n ASN 107 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1j4p n GLY 108 N 1.28 3.55 3.35 4.83 0.00 -1.23 -4.96 105.19 112.00 1j4p n GLY 108 Ca -0.05 -1.83 -0.32 0.00 0.00 0.00 0.00 46.02 43.82 1j4p n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j4p s THR 109 N -2.65 2.38 0.09 2.61 2.01 -1.26 -4.40 115.64 114.42 1j4p s THR 109 Ca 0.00 -0.97 0.07 0.00 0.31 0.00 0.00 61.69 61.10 1j4p s THR 109 Cb 0.00 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 1j4p s THR 109 CO 0.00 0.58 -0.12 0.26 -0.69 0.00 0.00 174.62 174.65 1j4p s TRP 110 N -0.52 2.70 -0.22 4.92 0.51 0.39 -2.45 118.94 124.27 1j4p s TRP 110 Ca 0.07 -0.17 0.01 0.00 -2.12 0.00 0.00 56.10 53.89 1j4p s TRP 110 Cb -0.11 -1.43 0.05 0.00 -0.81 0.00 0.00 33.47 31.17 1j4p s TRP 110 CO 0.01 0.40 -0.08 -1.17 -0.51 0.00 0.00 176.95 175.59 1j4p s LEU 111 N -2.09 2.58 -1.65 2.99 2.96 0.88 0.15 118.68 124.51 1j4p s LEU 111 Ca 0.20 -1.08 -0.12 0.00 -0.22 0.00 0.00 54.13 52.90 1j4p s LEU 111 Cb -0.11 -1.26 0.11 0.00 0.50 0.00 0.00 46.19 45.43 1j4p s LEU 111 CO 0.12 -0.19 0.55 0.59 -1.32 0.00 0.00 176.35 176.10 1j4p n ASN 112 N 4.64 -1.71 0.00 3.68 3.02 -0.91 0.65 115.26 124.63 1j4p n ASN 112 Ca -0.14 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 1j4p n ASN 112 Cb 0.45 -2.44 0.00 0.00 -0.61 0.00 0.00 39.78 37.18 1j4p n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j4p n GLY 113 N -1.66 2.15 3.47 7.41 0.00 -1.26 -5.01 105.19 110.29 1j4p n GLY 113 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1j4p n GLY 113 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j4p s GLN 114 N -0.41 3.51 0.06 1.61 -0.21 0.21 -5.06 119.66 119.36 1j4p s GLN 114 Ca 0.00 -0.60 -0.31 0.00 0.02 0.00 0.00 55.36 54.47 1j4p s GLN 114 Cb 0.00 -3.55 -0.06 0.00 1.00 0.00 0.00 33.01 30.40 1j4p s GLN 114 CO 0.00 -0.33 1.30 0.21 -2.12 0.00 0.00 175.29 174.35 1j4p s LYS 115 N 1.65 4.36 0.33 2.91 2.47 -1.26 -0.08 119.74 130.12 1j4p s LYS 115 Ca 0.05 1.90 0.07 0.00 -1.56 0.00 0.00 55.97 56.43 1j4p s LYS 115 Cb -0.16 -3.38 -0.01 0.00 -1.46 0.00 0.00 37.83 32.82 1j4p s LYS 115 CO 0.07 -0.40 0.45 0.14 0.16 0.00 0.00 175.35 175.77 1j4p s VAL 116 N 1.44 4.03 0.04 4.02 -7.23 -1.02 -4.93 120.40 116.75 1j4p s VAL 116 Ca 0.61 -1.03 -0.31 0.00 -1.81 0.00 0.00 61.98 59.45 1j4p s VAL 116 Cb -0.32 -3.39 -0.06 0.00 0.56 0.00 0.00 36.38 33.17 1j4p s VAL 116 CO 0.28 -0.16 1.41 -0.70 -0.31 0.00 0.00 175.10 175.62 1j4p s GLU 117 N -4.15 4.29 1.00 4.82 2.12 -1.26 -4.61 118.70 120.90 1j4p s GLU 117 Ca 0.45 2.02 -0.14 0.00 0.36 0.00 0.00 54.97 57.66 1j4p s GLU 117 Cb -0.09 -3.47 0.08 0.00 0.26 0.00 0.00 34.13 30.91 1j4p s GLU 117 CO 0.31 -0.53 0.44 1.17 -0.54 0.00 0.00 175.26 176.11 1j4p n LYS 118 N 4.89 -0.73 -2.80 4.30 4.81 -1.26 -2.31 118.16 125.06 1j4p n LYS 118 Ca 0.13 -0.17 -0.15 0.00 -0.87 0.00 0.00 58.31 57.24 1j4p n LYS 118 Cb 0.43 -1.90 -0.03 0.00 0.02 0.00 0.00 35.03 33.55 1j4p n LYS 118 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1j4p n ASN 119 N -1.97 -1.01 -4.53 3.14 3.02 0.60 -4.85 115.26 109.66 1j4p n ASN 119 Ca 0.06 -0.27 -0.31 0.00 -0.03 0.00 0.00 54.58 54.03 1j4p n ASN 119 Cb 0.55 -0.93 -0.11 0.00 -0.61 0.00 0.00 39.78 38.68 1j4p n ASN 119 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1j4p s SER 120 N -2.02 4.24 -0.09 6.41 0.15 -0.98 -4.90 113.70 116.52 1j4p s SER 120 Ca 0.30 -0.29 -0.19 0.00 0.70 0.00 0.00 55.95 56.47 1j4p s SER 120 Cb -0.17 -0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 63.24 1j4p s SER 120 CO 0.37 0.26 0.51 0.20 1.20 0.00 0.00 173.24 175.78 1j4p s ASN 121 N -1.51 6.77 0.07 5.45 0.02 -1.26 -3.78 114.94 120.71 1j4p s ASN 121 Ca 0.16 0.92 0.06 0.00 -1.02 0.00 0.00 52.86 52.98 1j4p s ASN 121 Cb -0.11 -2.31 -0.03 0.00 0.02 0.00 0.00 41.25 38.82 1j4p s ASN 121 CO 0.07 0.03 -0.15 -1.10 0.02 0.00 0.00 177.10 175.97 1j4p s GLN 122 N 0.39 0.89 -0.12 -0.60 -1.52 -0.95 -4.91 119.66 112.83 1j4p s GLN 122 Ca 0.28 -0.96 -0.29 0.00 -1.95 0.00 0.00 55.36 52.43 1j4p s GLN 122 Cb -0.16 -0.94 -0.03 0.00 -0.22 0.00 0.00 33.01 31.66 1j4p s GLN 122 CO 0.12 0.21 1.40 -1.17 -0.25 0.00 0.00 175.29 175.61 1j4p s LEU 123 N -1.68 4.23 0.83 2.90 2.96 -1.26 -1.30 118.68 125.37 1j4p s LEU 123 Ca -0.00 1.89 -0.13 0.00 -0.22 0.00 0.00 54.13 55.66 1j4p s LEU 123 Cb -0.10 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.11 1j4p s LEU 123 CO 0.02 -0.82 0.90 -0.11 -1.32 0.00 0.00 176.35 175.03 1j4p n LEU 124 N 6.75 2.64 -4.32 -0.68 7.94 -0.64 -4.90 117.00 123.78 1j4p n LEU 124 Ca 0.15 0.52 -0.22 0.00 -1.11 0.00 0.00 56.01 55.35 1j4p n LEU 124 Cb 0.44 -1.38 -0.11 0.00 0.53 0.00 0.00 43.42 42.89 1j4p n LEU 124 CO 0.58 -2.42 -0.49 -0.44 -1.11 0.00 0.00 177.39 173.51 1j4p s SER 125 N -2.01 2.64 -0.05 1.96 0.01 -1.26 -4.93 113.70 110.06 1j4p s SER 125 Ca 0.68 -0.84 -0.30 0.00 1.31 0.00 0.00 55.95 56.80 1j4p s SER 125 Cb -0.28 -0.15 -0.05 0.00 0.21 0.00 0.00 66.02 65.75 1j4p s SER 125 CO 0.56 -0.03 1.46 -1.10 0.41 0.00 0.00 173.24 174.54 1j4p s GLN 126 N -2.68 4.24 -2.07 12.44 -1.52 -1.26 -2.29 119.66 126.52 1j4p s GLN 126 Ca 0.14 1.98 0.00 0.00 -1.95 0.00 0.00 55.36 55.54 1j4p s GLN 126 Cb -0.06 -3.73 0.00 0.00 -0.22 0.00 0.00 33.01 28.99 1j4p s GLN 126 CO 0.06 -0.69 0.00 0.41 -0.25 0.00 0.00 175.29 174.82 1j4p n GLY 127 N 3.79 1.77 3.31 3.09 0.00 -1.09 -4.94 105.19 111.12 1j4p n GLY 127 Ca 0.15 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1j4p n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1j4p n ASP 128 N -1.21 -2.46 -3.82 1.61 2.03 -0.97 -4.42 116.55 107.31 1j4p n ASP 128 Ca -0.20 0.07 -0.13 0.00 0.52 0.00 0.00 54.79 55.05 1j4p n ASP 128 Cb 0.65 -1.02 -0.15 0.00 -0.72 0.00 0.00 41.12 39.88 1j4p n ASP 128 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1j4p s GLU 129 N -3.39 -0.00 -0.15 -0.67 2.12 -1.26 0.10 118.70 115.45 1j4p s GLU 129 Ca 0.55 0.12 -0.01 0.00 0.36 0.00 0.00 54.97 55.99 1j4p s GLU 129 Cb -0.15 -0.11 -0.01 0.00 0.26 0.00 0.00 34.13 34.12 1j4p s GLU 129 CO 0.67 -0.09 -0.12 0.42 -0.54 0.00 0.00 175.26 175.61 1j4p s ILE 130 N 0.55 3.05 -0.09 -3.70 1.01 0.46 -2.13 121.20 120.34 1j4p s ILE 130 Ca -0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 1j4p s ILE 130 Cb -0.06 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 1j4p s ILE 130 CO -0.02 0.50 0.06 -0.89 0.00 0.00 0.00 174.94 174.60 1j4p s THR 131 N 0.67 4.80 0.05 2.92 2.01 0.40 0.45 115.64 126.93 1j4p s THR 131 Ca -0.06 -0.09 -0.02 0.00 0.31 0.00 0.00 61.69 61.83 1j4p s THR 131 Cb -0.15 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 1j4p s THR 131 CO 0.02 0.59 -0.00 0.68 -0.69 0.00 0.00 174.62 175.22 1j4p s VAL 132 N -0.97 0.19 0.00 3.82 -7.23 0.25 0.15 120.40 116.62 1j4p s VAL 132 Ca 0.15 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 1j4p s VAL 132 Cb -0.12 -1.30 0.00 0.00 0.56 0.00 0.00 36.38 35.52 1j4p s VAL 132 CO 0.04 -0.88 0.00 0.61 -0.31 0.00 0.00 175.10 174.56 1j4p n GLY 133 N 0.34 0.83 3.76 2.32 0.00 -1.26 0.15 105.19 111.32 1j4p n GLY 133 Ca -0.16 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 1j4p n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j4p s VAL 134 N -2.58 3.65 0.00 1.61 1.01 -1.26 -3.40 120.40 119.43 1j4p s VAL 134 Ca 0.00 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.59 1j4p s VAL 134 Cb 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1j4p s VAL 134 CO 0.00 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1j4p n GLY 135 N 1.13 2.20 3.06 4.51 0.00 -1.26 -5.02 105.19 109.81 1j4p n GLY 135 Ca -0.01 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 1j4p n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j4p s VAL 136 N 0.00 1.32 0.51 1.61 1.01 -1.26 -5.01 120.40 118.57 1j4p s VAL 136 Ca 0.00 -0.58 0.30 0.00 0.00 0.00 0.00 61.98 61.70 1j4p s VAL 136 Cb 0.00 -1.19 0.48 0.00 0.00 0.00 0.00 36.38 35.67 1j4p s VAL 136 CO 0.00 0.40 1.85 -0.08 0.00 0.00 0.00 175.10 177.27 1j4p h GLU 137 N 6.99 0.09 -0.36 2.72 4.81 -1.99 0.74 114.58 127.58 1j4p h GLU 137 Ca -0.29 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1j4p h GLU 137 Cb 1.19 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1j4p h GLU 137 CO 0.47 0.06 0.00 0.43 -0.73 0.00 0.00 179.01 179.24 1j4p n SER 138 N -4.31 2.58 -0.46 1.04 7.64 -1.26 -4.17 113.62 114.68 1j4p n SER 138 Ca 0.21 -1.90 0.06 0.00 1.01 0.00 0.00 58.87 58.25 1j4p n SER 138 Cb 1.00 -0.24 0.12 0.00 -1.01 0.00 0.00 64.21 64.08 1j4p n SER 138 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1j4p n ASP 139 N 0.91 1.60 -4.72 6.43 8.00 0.26 -5.04 116.55 123.99 1j4p n ASP 139 Ca 0.17 -3.01 -0.35 0.00 0.71 0.00 0.00 54.79 52.31 1j4p n ASP 139 Cb 0.45 -0.40 -0.09 0.00 -0.02 0.00 0.00 41.12 41.06 1j4p n ASP 139 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1j4p s ILE 140 N -2.15 4.56 -0.05 0.53 1.01 -1.15 -4.42 121.20 119.53 1j4p s ILE 140 Ca 0.28 -0.17 0.05 0.00 0.00 0.00 0.00 60.65 60.81 1j4p s ILE 140 Cb 0.27 -2.94 -0.00 0.00 0.01 0.00 0.00 42.46 39.80 1j4p s ILE 140 CO -0.03 0.60 -0.19 -0.22 0.00 0.00 0.00 174.94 175.10 1j4p s LEU 141 N -0.95 1.94 0.14 2.97 0.20 0.12 -4.97 118.68 118.12 1j4p s LEU 141 Ca 0.14 -0.39 0.07 0.00 0.69 0.00 0.00 54.13 54.64 1j4p s LEU 141 Cb -0.11 -1.06 -0.04 0.00 -0.43 0.00 0.00 46.19 44.54 1j4p s LEU 141 CO 0.03 0.16 -0.04 -0.44 -0.29 0.00 0.00 176.35 175.77 1j4p s SER 142 N 0.04 4.63 0.00 3.68 0.01 -1.26 0.88 113.70 121.68 1j4p s SER 142 Ca -0.05 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 56.85 1j4p s SER 142 Cb -0.12 -0.95 -0.01 0.00 0.21 0.00 0.00 66.02 65.15 1j4p s SER 142 CO 0.03 0.14 -0.05 -0.76 0.41 0.00 0.00 173.24 173.01 1j4p s LEU 143 N -2.57 2.03 -0.10 2.44 1.43 0.17 -3.94 118.68 118.13 1j4p s LEU 143 Ca 0.25 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 1j4p s LEU 143 Cb -0.10 -0.22 -0.02 0.00 0.03 0.00 0.00 46.19 45.87 1j4p s LEU 143 CO 0.17 0.03 -0.12 -0.69 0.23 0.00 0.00 176.35 175.97 1j4p s VAL 144 N -0.22 3.21 -0.18 -1.59 1.01 0.18 0.17 120.40 122.99 1j4p s VAL 144 Ca 0.01 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 1j4p s VAL 144 Cb -0.02 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1j4p s VAL 144 CO -0.00 0.55 0.03 -0.63 0.00 0.00 0.00 175.10 175.04 1j4p s ILE 145 N -0.06 4.44 -0.20 2.22 1.01 0.28 0.12 121.20 129.01 1j4p s ILE 145 Ca -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.45 1j4p s ILE 145 Cb -0.14 -2.99 -0.00 0.00 0.01 0.00 0.00 42.46 39.34 1j4p s ILE 145 CO 0.04 0.46 -0.09 0.12 0.00 0.00 0.00 174.94 175.47 1j4p s PHE 146 N 0.50 2.90 0.04 3.97 2.19 0.33 -2.50 117.98 125.41 1j4p s PHE 146 Ca 0.01 -1.08 -0.25 0.00 0.33 0.00 0.00 56.93 55.94 1j4p s PHE 146 Cb -0.13 -2.04 -0.05 0.00 -1.31 0.00 0.00 43.02 39.49 1j4p s PHE 146 CO 0.02 -0.58 0.76 0.42 1.83 0.00 0.00 175.22 177.67 1j4p s ILE 147 N 1.33 4.75 -0.33 3.12 1.01 -1.26 0.12 121.20 129.93 1j4p s ILE 147 Ca 0.04 1.62 -0.29 0.00 0.00 0.00 0.00 60.65 62.02 1j4p s ILE 147 Cb -0.14 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.22 1j4p s ILE 147 CO -0.05 0.36 1.32 0.20 0.00 0.00 0.00 174.94 176.77 1j4p s ASN 148 N -0.01 6.59 0.29 3.58 -0.87 -1.17 -4.90 114.94 118.44 1j4p s ASN 148 Ca 0.38 1.09 -0.03 0.00 -1.57 0.00 0.00 52.86 52.74 1j4p s ASN 148 Cb -0.20 -2.54 0.40 0.00 -0.02 0.00 0.00 41.25 38.88 1j4p s ASN 148 CO 0.23 -1.17 1.93 -0.78 -2.57 0.00 0.00 177.10 174.74 1j4p h ASP 149 N 9.62 0.96 -0.39 -1.22 3.58 -1.94 -2.28 116.42 124.75 1j4p h ASP 149 Ca -0.26 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.14 1j4p h ASP 149 Cb 1.10 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.89 1j4p h ASP 149 CO 1.05 0.74 0.26 0.50 -2.88 0.00 0.00 179.24 178.90 1j4p h LYS 150 N 1.10 0.52 -0.57 0.28 3.64 -1.92 -2.11 116.57 117.51 1j4p h LYS 150 Ca 0.29 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1j4p h LYS 150 Cb -0.04 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 1j4p h LYS 150 CO -0.05 0.35 0.37 0.35 -2.27 0.00 0.00 179.45 178.19 1j4p h PHE 151 N 0.53 0.74 -0.45 1.91 3.57 -1.69 -2.13 116.94 119.41 1j4p h PHE 151 Ca 0.14 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.68 1j4p h PHE 151 Cb -0.06 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 1j4p h PHE 151 CO -0.05 0.49 0.30 0.87 -2.23 0.00 0.00 178.31 177.69 1j4p h LYS 152 N 0.78 0.51 -0.26 1.11 1.57 -1.08 -1.46 116.57 117.74 1j4p h LYS 152 Ca 0.21 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1j4p h LYS 152 Cb -0.06 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1j4p h LYS 152 CO -0.04 0.34 0.16 0.37 -0.57 0.00 0.00 179.45 179.71 1j4p h GLN 153 N 0.53 0.35 -0.22 3.15 4.15 -0.71 0.84 115.11 123.20 1j4p h GLN 153 Ca 0.18 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.52 1j4p h GLN 153 Cb 0.06 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 1j4p h GLN 153 CO -0.04 0.27 -0.04 0.00 -1.93 0.00 0.00 178.83 177.08 1j4p h LEU 155 N 0.16 0.62 -0.87 0.00 -0.00 -1.14 -1.34 115.31 112.74 1j4p h LEU 155 Ca 0.06 -0.18 0.09 0.00 -0.00 0.00 0.00 57.88 57.84 1j4p h LEU 155 Cb 0.49 -0.17 -0.07 0.00 -0.00 0.00 0.00 40.66 40.91 1j4p h LEU 155 CO 0.02 0.79 0.52 -0.08 -0.00 0.00 0.00 178.44 179.69 1j4p h GLU 156 N 0.57 0.84 0.13 1.13 4.81 0.83 -2.04 114.58 120.85 1j4p h GLU 156 Ca 0.10 -0.05 -0.28 0.00 -0.13 0.00 0.00 59.36 59.00 1j4p h GLU 156 Cb 0.58 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.78 1j4p h GLU 156 CO 0.04 0.56 -1.23 1.96 -0.73 0.00 0.00 179.01 179.61 1j4p h GLN 157 N 0.87 0.38 -7.05 1.92 4.20 -1.35 -3.47 115.11 110.60 1j4p h GLN 157 Ca 0.41 -0.57 -0.60 0.00 0.06 0.00 0.00 58.65 57.95 1j4p h GLN 157 Cb 0.34 0.20 -0.31 0.00 0.30 0.00 0.00 27.48 28.01 1j4p h GLN 157 CO -0.23 1.25 -0.89 0.27 -0.67 0.00 0.00 178.83 178.56 1j4p n ASN 158 N -3.63 -1.99 -4.20 1.46 0.23 -0.52 -4.92 115.26 101.69 1j4p n ASN 158 Ca -0.10 -1.18 -0.30 0.00 -0.53 0.00 0.00 54.58 52.47 1j4p n ASN 158 Cb 1.00 -1.98 -0.17 0.00 -2.08 0.00 0.00 39.78 36.56 1j4p n ASN 158 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1j4p s LYS 159 N -7.15 2.47 -0.09 -3.83 2.36 -1.26 -5.09 119.74 107.16 1j4p s LYS 159 Ca 0.72 -0.79 -0.29 0.00 -2.55 0.00 0.00 55.97 53.06 1j4p s LYS 159 Cb -0.41 -2.01 -0.06 0.00 -1.05 0.00 0.00 37.83 34.30 1j4p s LYS 159 CO 0.99 0.25 1.80 0.08 1.55 0.00 0.00 175.35 180.02 1j4p s VAL 160 N 0.13 3.38 -0.74 4.02 1.01 -1.26 -4.86 120.40 122.09 1j4p s VAL 160 Ca -0.10 0.45 -0.23 0.00 0.00 0.00 0.00 61.98 62.10 1j4p s VAL 160 Cb -0.15 -3.34 -0.18 0.00 0.00 0.00 0.00 36.38 32.72 1j4p s VAL 160 CO 0.05 -0.09 1.89 0.47 0.00 0.00 0.00 175.10 177.42 1j4p n ASP 161 N 8.07 2.39 -2.21 3.32 8.00 -1.26 -4.60 116.55 130.26 1j4p n ASP 161 Ca 0.20 -2.66 -0.24 0.00 0.71 0.00 0.00 54.79 52.80 1j4p n ASP 161 Cb 0.43 -1.13 0.17 0.00 -0.02 0.00 0.00 41.12 40.56 1j4p n ASP 161 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1j4p n ARG 162 N 7.31 2.26 -3.64 -1.24 1.74 -1.26 -4.90 116.66 116.93 1j4p n ARG 162 Ca 0.49 -2.96 -0.39 0.00 -0.77 0.00 0.00 57.85 54.22 1j4p n ARG 162 Cb 0.42 -2.16 -0.12 0.00 -1.02 0.00 0.00 32.46 29.58 1j4p n ARG 162 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1j4p s ILE 163 N -3.36 4.61 -2.40 0.55 1.10 -1.26 -5.33 121.20 115.11 1j4p s ILE 163 Ca 0.56 -0.50 0.29 0.00 -0.51 0.00 0.00 60.65 60.49 1j4p s ILE 163 Cb 0.47 -3.40 0.62 0.00 0.15 0.00 0.00 42.46 40.31 1j4p s ILE 163 CO 0.10 0.01 1.84 0.54 -2.11 0.00 0.00 174.94 175.32