#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5n n VAL 2 N 0.00 0.47 -1.96 2.03 3.14 -1.26 -5.11 118.33 115.64 1j5n n VAL 2 Ca 0.00 -2.17 0.00 0.00 -2.96 0.00 0.00 64.34 59.21 1j5n n VAL 2 Cb 0.00 0.89 0.00 0.00 -1.06 0.00 0.00 33.84 33.67 1j5n n VAL 2 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1j5n n THR 3 N -0.45 -7.92 0.14 1.55 -2.24 -1.26 -4.80 114.28 99.30 1j5n n THR 3 Ca 0.01 2.74 -0.00 0.00 -2.27 0.00 0.00 64.05 64.53 1j5n n THR 3 Cb 0.84 -3.88 0.24 0.00 -2.10 0.00 0.00 70.33 65.43 1j5n n THR 3 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1j5n h PRO 4 N 3.51 0.06 -1.28 -0.78 0.13 -2.09 -3.49 132.00 128.05 1j5n h PRO 4 Ca 0.00 -0.03 0.14 0.00 -0.87 0.00 0.00 66.00 65.24 1j5n h PRO 4 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 1j5n h PRO 4 CO 0.00 0.54 -0.37 0.54 -0.23 0.00 0.00 178.00 178.48 1j5n n ARG 5 N -3.95 -1.20 -3.55 0.86 5.12 -1.26 -4.84 116.66 107.83 1j5n n ARG 5 Ca -0.02 0.91 -0.27 0.00 -1.93 0.00 0.00 57.85 56.55 1j5n n ARG 5 Cb 0.52 -1.42 -0.10 0.00 -1.16 0.00 0.00 32.46 30.29 1j5n n ARG 5 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1j5n n GLU 6 N -3.13 0.89 -1.52 5.56 -0.58 -1.26 -5.12 120.64 115.48 1j5n n GLU 6 Ca -0.02 -3.70 -0.32 0.00 -0.42 0.00 0.00 57.16 52.71 1j5n n GLU 6 Cb 0.26 -1.88 0.07 0.00 -0.57 0.00 0.00 31.44 29.31 1j5n n GLU 6 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1j5n s PRO 7 N -0.66 2.55 0.00 3.49 0.04 -1.26 -4.94 135.00 134.22 1j5n s PRO 7 Ca 0.31 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1j5n s PRO 7 Cb 0.03 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1j5n s PRO 7 CO -0.18 -1.43 0.00 1.63 0.04 0.00 0.00 177.00 177.06 1j5n n LYS 8 N -2.95 0.00 0.00 4.56 5.02 -1.26 -5.17 118.16 118.36 1j5n n LYS 8 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1j5n n LYS 8 Cb 0.52 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 1j5n n LYS 8 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1j5n n LYS 9 N -1.84 0.00 0.00 1.97 2.85 -1.26 -5.14 118.16 114.74 1j5n n LYS 9 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1j5n n LYS 9 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1j5n n LYS 9 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1j5n n ARG 10 N -0.44 0.00 -1.93 -1.58 1.85 -1.26 -5.16 116.66 108.15 1j5n n ARG 10 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1j5n n ARG 10 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1j5n n ARG 10 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1j5n n THR 11 N -0.82 -6.17 0.00 8.89 -2.24 -1.26 -4.99 114.28 107.70 1j5n n THR 11 Ca 0.00 2.60 0.00 0.00 -2.27 0.00 0.00 64.05 64.38 1j5n n THR 11 Cb 0.00 -3.45 0.00 0.00 -2.10 0.00 0.00 70.33 64.78 1j5n n THR 11 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1j5n n THR 12 N 0.69 0.00 -0.77 4.28 5.66 -1.26 -5.14 114.28 117.74 1j5n n THR 12 Ca 0.00 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.75 1j5n n THR 12 Cb 0.00 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 68.79 1j5n n THR 12 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1j5n n ARG 13 N 0.00 0.00 -2.18 1.09 1.85 -1.26 -4.31 116.66 111.85 1j5n n ARG 13 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.83 1j5n n ARG 13 Cb 0.00 -0.66 0.00 0.00 -1.05 0.00 0.00 32.46 30.76 1j5n n ARG 13 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1j5n n LYS 14 N 1.20 -1.56 0.00 2.89 0.00 -1.26 -4.98 118.16 114.45 1j5n n LYS 14 Ca 0.03 1.54 0.00 0.00 0.00 0.00 0.00 58.31 59.88 1j5n n LYS 14 Cb 0.33 -3.52 0.00 0.00 0.00 0.00 0.00 35.03 31.84 1j5n n LYS 14 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1j5n n LYS 15 N -0.01 0.00 -3.31 1.64 4.76 -1.26 -5.03 118.16 114.95 1j5n n LYS 15 Ca 0.03 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.19 1j5n n LYS 15 Cb 0.12 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.24 1j5n n LYS 15 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1j5n n LYS 16 N -1.78 2.79 -3.44 1.97 2.85 -1.26 -4.99 118.16 114.31 1j5n n LYS 16 Ca 0.00 -4.70 0.01 0.00 -1.05 0.00 0.00 58.31 52.57 1j5n n LYS 16 Cb 0.00 -2.27 -0.03 0.00 -0.65 0.00 0.00 35.03 32.08 1j5n n LYS 16 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1j5n s ASP 17 N -2.60 -1.00 0.01 -5.58 1.11 -1.26 -5.02 116.67 102.33 1j5n s ASP 17 Ca 0.41 1.12 -0.13 0.00 0.18 0.00 0.00 52.55 54.13 1j5n s ASP 17 Cb 0.17 2.04 -0.07 0.00 1.07 0.00 0.00 42.92 46.12 1j5n s ASP 17 CO -0.03 -0.19 1.04 1.55 1.18 0.00 0.00 175.17 178.72 1j5n h PRO 18 N 7.87 -0.45 0.00 8.23 0.13 -1.95 -3.35 132.00 142.48 1j5n h PRO 18 Ca -0.18 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1j5n h PRO 18 Cb 1.12 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1j5n h PRO 18 CO 0.11 -0.30 -1.56 0.09 -0.23 0.00 0.00 178.00 176.11 1j5n n ASN 19 N -3.44 0.36 -2.75 1.44 3.02 -1.26 -5.05 115.26 107.58 1j5n n ASN 19 Ca -0.06 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 1j5n n ASN 19 Cb 0.18 1.45 0.00 0.00 -0.61 0.00 0.00 39.78 40.80 1j5n n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j5n n ALA 20 N -2.06 -1.39 0.24 5.41 0.00 -1.26 -4.89 120.51 116.55 1j5n n ALA 20 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.29 1j5n n ALA 20 Cb 0.51 -0.43 -0.07 0.00 0.00 0.00 0.00 19.45 19.45 1j5n n ALA 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1j5n h PRO 21 N 4.03 -0.61 0.00 0.00 0.11 -1.95 -3.50 132.00 130.09 1j5n h PRO 21 Ca 0.00 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1j5n h PRO 21 Cb 0.39 0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1j5n h PRO 21 CO 0.00 -0.30 0.00 1.63 -0.21 0.00 0.00 178.00 179.12 1j5n n LYS 22 N -5.24 0.00 -0.72 1.05 5.02 -1.26 -4.88 118.16 112.13 1j5n n LYS 22 Ca -0.10 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.11 1j5n n LYS 22 Cb 0.30 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.35 1j5n n LYS 22 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1j5n n ARG 23 N 0.00 -0.52 -0.78 1.97 1.85 -1.26 -4.74 116.66 113.18 1j5n n ARG 23 Ca 0.00 -0.15 -0.26 0.00 -1.00 0.00 0.00 57.85 56.44 1j5n n ARG 23 Cb 0.00 -1.11 0.01 0.00 -1.05 0.00 0.00 32.46 30.32 1j5n n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1j5n n ALA 24 N -3.36 -3.27 -1.36 2.89 0.00 -1.26 -4.80 120.51 109.34 1j5n n ALA 24 Ca 0.01 -0.19 -0.34 0.00 0.00 0.00 0.00 53.44 52.92 1j5n n ALA 24 Cb 0.15 -0.89 0.07 0.00 0.00 0.00 0.00 19.45 18.79 1j5n n ALA 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1j5n n LEU 25 N 1.94 7.61 -1.80 0.00 0.00 -1.26 -5.00 117.00 118.48 1j5n n LEU 25 Ca 0.03 -4.27 0.00 0.00 0.00 0.00 0.00 56.01 51.77 1j5n n LEU 25 Cb 0.34 -1.00 0.00 0.00 0.00 0.00 0.00 43.42 42.76 1j5n n LEU 25 CO 0.36 1.48 -0.33 -0.24 0.00 0.00 0.00 177.39 178.67 1j5n n SER 26 N -0.78 -6.49 0.28 1.96 2.88 -1.26 -3.97 113.62 106.24 1j5n n SER 26 Ca 0.60 1.27 0.19 0.00 -1.33 0.00 0.00 58.87 59.60 1j5n n SER 26 Cb 0.61 -4.03 0.88 0.00 -0.75 0.00 0.00 64.21 60.92 1j5n n SER 26 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j5n h ALA 27 N 2.79 1.00 0.00 -1.46 0.00 -1.90 -0.59 119.26 119.10 1j5n h ALA 27 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1j5n h ALA 27 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1j5n h ALA 27 CO 0.00 0.00 -0.04 -0.92 0.00 0.00 0.00 179.25 178.29 1j5n h TYR 28 N 0.00 0.00 0.17 0.00 5.03 -1.96 -2.41 116.97 117.80 1j5n h TYR 28 Ca 0.00 0.00 -0.34 0.00 2.58 0.00 0.00 58.73 60.97 1j5n h TYR 28 Cb 0.26 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.54 1j5n h TYR 28 CO 0.00 0.04 -1.74 0.52 -1.32 0.00 0.00 178.16 175.67 1j5n h MET 29 N 0.00 0.37 0.02 1.82 0.00 -1.24 0.56 114.93 116.46 1j5n h MET 29 Ca -0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 59.70 59.07 1j5n h MET 29 Cb 0.96 0.23 0.00 0.00 0.00 0.00 0.00 31.60 32.79 1j5n h MET 29 CO 0.01 1.30 -0.01 0.74 0.00 0.00 0.00 176.91 178.94 1j5n h PHE 30 N 0.05 -0.03 -0.19 -0.22 0.04 -1.54 0.42 116.94 115.48 1j5n h PHE 30 Ca -0.35 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.40 1j5n h PHE 30 Cb 2.05 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 40.20 1j5n h PHE 30 CO 0.10 0.08 0.05 0.35 -0.60 0.00 0.00 178.31 178.29 1j5n h PHE 31 N -0.12 0.32 -0.04 -0.55 3.57 -1.57 -1.80 116.94 116.74 1j5n h PHE 31 Ca -0.00 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.47 1j5n h PHE 31 Cb 0.11 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1j5n h PHE 31 CO -0.04 0.42 0.08 0.00 -2.23 0.00 0.00 178.31 176.54 1j5n h ALA 32 N 0.86 1.38 -0.05 2.41 0.00 -0.70 -0.46 119.26 122.70 1j5n h ALA 32 Ca 0.06 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1j5n h ALA 32 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1j5n h ALA 32 CO -0.00 -0.10 -0.09 -0.91 0.00 0.00 0.00 179.25 178.15 1j5n h ASN 33 N 0.00 0.17 -0.50 0.00 2.35 0.71 0.90 115.58 119.21 1j5n h ASN 33 Ca 0.02 -0.55 -0.01 0.00 -0.55 0.00 0.00 56.30 55.20 1j5n h ASN 33 Cb 0.18 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1j5n h ASN 33 CO -0.00 0.69 0.26 -0.33 -1.65 0.00 0.00 177.43 176.40 1j5n h GLU 34 N -0.34 0.71 0.00 0.81 4.39 -0.83 -3.32 114.58 116.00 1j5n h GLU 34 Ca 0.00 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1j5n h GLU 34 Cb 0.66 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1j5n h GLU 34 CO 0.02 0.58 0.00 0.09 -1.16 0.00 0.00 179.01 178.54 1j5n n ASN 35 N -4.63 0.00 0.00 1.42 5.03 -0.31 -2.29 115.26 114.48 1j5n n ASN 35 Ca 0.02 0.71 0.00 0.00 0.87 0.00 0.00 54.58 56.18 1j5n n ASN 35 Cb 0.10 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 38.51 1j5n n ASN 35 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1j5n n ARG 36 N -1.57 0.00 0.12 3.52 0.63 0.31 0.40 116.66 120.08 1j5n n ARG 36 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 1j5n n ARG 36 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 1j5n n ARG 36 CO 0.00 0.00 0.00 0.38 -2.51 0.00 0.00 177.63 175.50 1j5n h ASP 37 N 0.00 -0.28 0.00 6.15 3.04 -1.66 -1.31 116.42 122.36 1j5n h ASP 37 Ca 0.00 -0.23 0.00 0.00 -3.24 0.00 0.00 57.03 53.56 1j5n h ASP 37 Cb 0.00 0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.36 1j5n h ASP 37 CO 0.00 0.12 0.00 -0.38 -2.04 0.00 0.00 179.24 176.94 1j5n n ILE 38 N -5.07 0.00 -0.23 4.15 -0.00 1.34 0.25 119.36 119.80 1j5n n ILE 38 Ca -0.09 1.41 -0.12 0.00 -0.00 0.00 0.00 62.75 63.94 1j5n n ILE 38 Cb 0.26 -2.40 -0.09 0.00 -0.00 0.00 0.00 39.64 37.41 1j5n n ILE 38 CO 0.00 0.00 0.00 0.58 -0.00 0.00 0.00 176.55 177.13 1j5n h VAL 39 N 0.00 0.01 0.00 1.39 2.07 -0.19 0.41 116.25 119.94 1j5n h VAL 39 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1j5n h VAL 39 Cb 0.00 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1j5n h VAL 39 CO 0.00 0.00 -0.05 -0.09 0.02 0.00 0.00 177.57 177.45 1j5n h ARG 40 N -0.26 0.00 0.00 1.57 2.43 -1.31 -0.21 114.38 116.60 1j5n h ARG 40 Ca 0.11 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1j5n h ARG 40 Cb 0.54 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1j5n h ARG 40 CO -0.71 0.05 -0.32 0.77 -1.51 0.00 0.00 179.97 178.25 1j5n h SER 41 N 0.00 0.00 0.82 -3.80 0.02 0.42 0.49 113.55 111.50 1j5n h SER 41 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1j5n h SER 41 Cb 0.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1j5n h SER 41 CO 0.01 0.32 -1.21 -0.62 -1.14 0.00 0.00 176.83 174.19 1j5n n GLU 42 N -3.75 0.62 -3.08 3.45 1.02 -0.21 -4.45 120.64 114.23 1j5n n GLU 42 Ca -0.01 0.11 -0.17 0.00 -0.02 0.00 0.00 57.16 57.07 1j5n n GLU 42 Cb 0.42 -1.79 -0.02 0.00 -0.02 0.00 0.00 31.44 30.03 1j5n n GLU 42 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1j5n n ASN 43 N -2.68 1.18 0.23 1.62 3.02 -0.51 -4.93 115.26 113.19 1j5n n ASN 43 Ca -0.03 -3.01 0.06 0.00 -0.03 0.00 0.00 54.58 51.57 1j5n n ASN 43 Cb 0.62 -0.60 0.54 0.00 -0.61 0.00 0.00 39.78 39.73 1j5n n ASN 43 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1j5n h PRO 44 N 2.99 0.01 -0.99 3.52 0.11 -0.24 -2.33 132.00 135.08 1j5n h PRO 44 Ca 0.07 -0.00 -0.65 0.00 0.11 0.00 0.00 66.00 65.53 1j5n h PRO 44 Cb 0.98 -0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.76 1j5n h PRO 44 CO 0.52 0.14 0.51 -0.25 -0.21 0.00 0.00 178.00 178.71 1j5n n ASP 45 N -4.39 7.09 -0.13 -2.05 9.92 -1.26 -4.55 116.55 121.18 1j5n n ASP 45 Ca -0.03 -3.78 -0.27 0.00 -0.53 0.00 0.00 54.79 50.19 1j5n n ASP 45 Cb 0.20 -0.84 -0.11 0.00 -0.64 0.00 0.00 41.12 39.73 1j5n n ASP 45 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1j5n n ILE 46 N -0.86 1.54 0.00 0.53 3.06 -0.88 -5.13 119.36 117.63 1j5n n ILE 46 Ca 0.58 -0.34 0.00 0.00 -2.50 0.00 0.00 62.75 60.50 1j5n n ILE 46 Cb 0.71 -1.86 0.00 0.00 0.54 0.00 0.00 39.64 39.03 1j5n n ILE 46 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 1j5n n THR 47 N -4.16 0.00 -0.07 9.51 -1.04 -1.26 -4.60 114.28 112.66 1j5n n THR 47 Ca -0.48 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.46 1j5n n THR 47 Cb 0.86 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.36 1j5n n THR 47 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1j5n h PHE 48 N 0.00 -0.13 0.00 -1.42 3.57 -1.98 0.36 116.94 117.34 1j5n h PHE 48 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1j5n h PHE 48 Cb 0.00 0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1j5n h PHE 48 CO 0.00 -0.11 0.00 0.41 -2.23 0.00 0.00 178.31 176.38 1j5n n GLY 49 N -1.23 -0.57 0.29 2.40 0.00 -1.26 -0.62 105.19 104.19 1j5n n GLY 49 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 1j5n n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j5n n GLN 50 N -1.36 0.19 -0.15 1.61 1.13 -0.39 -3.99 117.38 114.42 1j5n n GLN 50 Ca 0.02 0.07 -0.03 0.00 -1.94 0.00 0.00 57.00 55.13 1j5n n GLN 50 Cb 0.06 -0.76 0.05 0.00 0.11 0.00 0.00 30.24 29.70 1j5n n GLN 50 CO 0.00 0.00 0.00 -0.24 -1.44 0.00 0.00 177.06 175.38 1j5n h VAL 51 N -0.35 0.71 0.00 5.09 3.04 -1.02 0.85 116.25 124.57 1j5n h VAL 51 Ca 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 1j5n h VAL 51 Cb 0.35 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.13 1j5n h VAL 51 CO 0.00 0.03 0.00 0.61 -1.01 0.00 0.00 177.57 177.20 1j5n n GLY 52 N -1.28 -1.03 0.27 3.17 0.00 0.21 -1.10 105.19 105.43 1j5n n GLY 52 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 1j5n n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j5n h LYS 53 N 0.00 0.00 -0.71 1.61 1.57 -1.64 0.62 116.57 118.01 1j5n h LYS 53 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j5n h LYS 53 Cb 0.00 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1j5n h LYS 53 CO 0.00 0.00 0.45 -0.22 -0.57 0.00 0.00 179.45 179.11 1j5n h LYS 54 N 0.00 0.95 -0.29 3.15 3.11 -0.97 -2.31 116.57 120.21 1j5n h LYS 54 Ca 0.34 -0.07 0.07 0.00 -2.81 0.00 0.00 60.65 58.18 1j5n h LYS 54 Cb 0.52 -0.21 -0.08 0.00 -1.00 0.00 0.00 32.23 31.46 1j5n h LYS 54 CO -0.73 0.65 -0.29 1.25 -2.81 0.00 0.00 179.45 177.52 1j5n h LEU 55 N 0.98 -0.95 -1.14 5.20 6.46 0.19 0.11 115.31 126.15 1j5n h LEU 55 Ca 0.26 0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 58.17 1j5n h LEU 55 Cb -0.07 0.44 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 1j5n h LEU 55 CO -0.05 -0.31 0.36 1.23 -0.62 0.00 0.00 178.44 179.05 1j5n h GLY 56 N -0.28 1.02 0.72 3.75 0.00 -0.99 0.22 103.07 107.52 1j5n h GLY 56 Ca 0.15 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1j5n h GLY 56 CO -0.45 0.44 -0.48 -2.09 0.00 0.00 0.00 176.54 173.96 1j5n h GLU 57 N 0.96 -1.06 0.00 4.80 4.57 -0.57 -1.93 114.58 121.35 1j5n h GLU 57 Ca 0.24 0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.47 1j5n h GLU 57 Cb 0.05 0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1j5n h GLU 57 CO -0.04 -0.71 -0.09 0.87 -1.18 0.00 0.00 179.01 177.86 1j5n h LYS 58 N -1.10 0.00 0.48 1.92 1.79 -0.93 -2.00 116.57 116.72 1j5n h LYS 58 Ca -0.09 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1j5n h LYS 58 Cb 0.91 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.54 1j5n h LYS 58 CO 0.05 0.09 -0.39 2.35 -1.08 0.00 0.00 179.45 180.47 1j5n h TRP 59 N 0.00 -1.05 0.00 -1.35 2.91 0.20 -0.56 115.95 116.10 1j5n h TRP 59 Ca -0.00 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.97 1j5n h TRP 59 Cb 0.36 0.40 -0.01 0.00 -0.51 0.00 0.00 29.16 29.40 1j5n h TRP 59 CO 0.00 -0.56 -0.24 0.87 -1.03 0.00 0.00 178.44 177.49 1j5n h LYS 60 N -0.86 0.00 0.00 2.65 1.57 -1.32 -3.00 116.57 115.61 1j5n h LYS 60 Ca -0.05 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1j5n h LYS 60 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1j5n h LYS 60 CO -0.01 0.24 -0.19 0.00 -0.57 0.00 0.00 179.45 178.92 1j5n h ALA 61 N 1.76 1.09 -1.29 3.86 0.00 -0.83 -3.32 119.26 120.53 1j5n h ALA 61 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1j5n h ALA 61 Cb 0.89 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1j5n h ALA 61 CO 0.03 0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.79 1j5n n LEU 62 N -3.44 0.00 0.00 0.00 4.77 -0.26 -5.03 117.00 113.03 1j5n n LEU 62 Ca -0.00 0.78 0.00 0.00 -0.03 0.00 0.00 56.01 56.76 1j5n n LEU 62 Cb 0.37 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1j5n n LEU 62 CO 0.32 -0.28 0.00 0.41 -1.33 0.00 0.00 177.39 176.50 1j5n n THR 63 N -1.60 0.00 -0.34 -5.08 -1.04 -1.25 -4.80 114.28 100.17 1j5n n THR 63 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1j5n n THR 63 Cb 0.00 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 68.62 1j5n n THR 63 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1j5n h PRO 64 N 0.00 -0.00 -0.90 -2.82 0.11 -1.96 0.54 132.00 126.97 1j5n h PRO 64 Ca 0.00 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.20 1j5n h PRO 64 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 1j5n h PRO 64 CO 0.00 -0.00 0.54 1.49 -0.21 0.00 0.00 178.00 179.82 1j5n h GLU 65 N -0.00 0.89 0.00 1.05 4.57 -2.01 0.49 114.58 119.57 1j5n h GLU 65 Ca 0.43 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.51 1j5n h GLU 65 Cb 0.68 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1j5n h GLU 65 CO -0.97 0.59 -0.24 0.93 -1.18 0.00 0.00 179.01 178.14 1j5n h GLU 66 N 0.92 0.00 0.11 1.92 4.39 -0.27 -2.80 114.58 118.84 1j5n h GLU 66 Ca 0.42 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.85 1j5n h GLU 66 Cb 0.33 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1j5n h GLU 66 CO -0.23 0.24 -1.18 0.87 -1.16 0.00 0.00 179.01 177.55 1j5n h LYS 67 N 0.00 0.39 -0.79 2.33 1.57 0.18 -3.34 116.57 116.91 1j5n h LYS 67 Ca -0.00 -0.56 0.17 0.00 -1.87 0.00 0.00 60.65 58.39 1j5n h LYS 67 Cb 0.47 0.19 -0.15 0.00 0.08 0.00 0.00 32.23 32.82 1j5n h LYS 67 CO 0.03 1.23 -0.15 1.04 -0.57 0.00 0.00 179.45 181.03 1j5n n GLN 68 N -3.65 -0.07 -0.15 3.15 6.02 -0.32 0.59 117.38 122.95 1j5n n GLN 68 Ca -0.10 1.22 -0.13 0.00 -0.01 0.00 0.00 57.00 57.99 1j5n n GLN 68 Cb 0.97 -1.84 -0.09 0.00 1.02 0.00 0.00 30.24 30.31 1j5n n GLN 68 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1j5n h PRO 69 N 0.00 -0.35 0.00 -1.09 0.11 -1.72 0.25 132.00 129.19 1j5n h PRO 69 Ca 0.40 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1j5n h PRO 69 Cb 0.65 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1j5n h PRO 69 CO -0.80 -0.23 -0.09 1.88 -0.21 0.00 0.00 178.00 178.55 1j5n h TYR 70 N -0.36 0.00 -0.87 0.65 -1.99 -0.49 -2.05 116.97 111.87 1j5n h TYR 70 Ca 0.10 0.00 0.16 0.00 2.00 0.00 0.00 58.73 60.99 1j5n h TYR 70 Cb 0.59 0.00 -0.16 0.00 2.00 0.00 0.00 36.73 39.16 1j5n h TYR 70 CO -0.72 0.00 -0.25 -1.91 -0.00 0.00 0.00 178.16 175.27 1j5n n GLU 71 N -3.48 -0.11 -0.17 4.88 2.13 0.20 0.37 120.64 124.45 1j5n n GLU 71 Ca -0.01 1.34 -0.07 0.00 0.66 0.00 0.00 57.16 59.08 1j5n n GLU 71 Cb 0.05 -2.00 0.02 0.00 0.27 0.00 0.00 31.44 29.77 1j5n n GLU 71 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1j5n h ALA 72 N 1.58 0.65 0.00 4.31 0.00 -0.59 0.49 119.26 125.70 1j5n h ALA 72 Ca 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1j5n h ALA 72 Cb 0.60 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1j5n h ALA 72 CO -0.88 0.11 0.10 0.87 0.00 0.00 0.00 179.25 179.45 1j5n h LYS 73 N 0.69 0.00 0.09 0.00 1.57 0.76 0.77 116.57 120.45 1j5n h LYS 73 Ca 0.19 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.78 1j5n h LYS 73 Cb -0.05 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.28 1j5n h LYS 73 CO -0.04 0.00 -0.80 0.00 -0.57 0.00 0.00 179.45 178.04 1j5n h ALA 74 N 1.75 -0.02 -0.19 3.86 0.00 0.71 -1.37 119.26 124.00 1j5n h ALA 74 Ca 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 54.91 54.20 1j5n h ALA 74 Cb 0.20 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1j5n h ALA 74 CO 0.00 0.41 -0.09 1.96 0.00 0.00 0.00 179.25 181.53 1j5n h GLN 75 N -0.19 0.30 -0.01 0.00 4.20 -0.35 0.62 115.11 119.68 1j5n h GLN 75 Ca -0.13 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 1j5n h GLN 75 Cb 1.56 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.30 1j5n h GLN 75 CO 0.15 0.40 0.00 0.00 -0.67 0.00 0.00 178.83 178.72 1j5n h ALA 76 N 1.63 0.01 0.00 3.87 0.00 -1.10 -2.15 119.26 121.52 1j5n h ALA 76 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1j5n h ALA 76 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1j5n h ALA 76 CO 0.02 -0.38 0.00 -3.47 0.00 0.00 0.00 179.25 175.42 1j5n n ASP 77 N -4.98 0.62 -0.04 0.00 -0.08 -0.52 -2.42 116.55 109.13 1j5n n ASP 77 Ca -0.07 0.60 -0.13 0.00 -1.51 0.00 0.00 54.79 53.68 1j5n n ASP 77 Cb 0.13 -0.75 -0.08 0.00 2.34 0.00 0.00 41.12 42.76 1j5n n ASP 77 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1j5n h LYS 78 N 0.00 0.20 -0.39 -0.67 3.11 0.85 -2.28 116.57 117.38 1j5n h LYS 78 Ca 0.00 -0.09 -0.14 0.00 -2.81 0.00 0.00 60.65 57.61 1j5n h LYS 78 Cb 0.51 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.72 1j5n h LYS 78 CO 0.00 0.56 -0.31 -0.22 -2.81 0.00 0.00 179.45 176.67 1j5n h LYS 79 N -0.17 0.87 -0.64 1.90 3.64 -1.37 -0.85 116.57 119.96 1j5n h LYS 79 Ca 0.02 -0.41 0.13 0.00 -1.27 0.00 0.00 60.65 59.12 1j5n h LYS 79 Cb 0.50 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.20 1j5n h LYS 79 CO 0.01 1.06 -0.04 0.07 -2.27 0.00 0.00 179.45 178.28 1j5n h ARG 80 N 0.73 0.08 -0.20 1.90 -0.00 -1.40 0.29 114.38 115.78 1j5n h ARG 80 Ca 0.08 -0.00 -0.20 0.00 -0.00 0.00 0.00 59.98 59.85 1j5n h ARG 80 Cb 0.88 -0.02 0.01 0.00 -0.00 0.00 0.00 29.97 30.84 1j5n h ARG 80 CO 0.08 0.05 -0.66 -0.92 -0.00 0.00 0.00 179.97 178.52 1j5n h TYR 81 N 0.08 1.04 -1.39 4.08 5.03 -1.29 -3.08 116.97 121.44 1j5n h TYR 81 Ca 0.33 -0.43 0.43 0.00 2.58 0.00 0.00 58.73 61.64 1j5n h TYR 81 Cb 0.54 -0.17 -0.11 0.00 1.55 0.00 0.00 36.73 38.54 1j5n h TYR 81 CO -0.41 1.25 0.93 1.49 -1.32 0.00 0.00 178.16 180.10 1j5n h GLU 82 N 0.54 0.09 0.12 1.82 4.81 0.53 0.63 114.58 123.12 1j5n h GLU 82 Ca -0.03 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1j5n h GLU 82 Cb 1.28 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1j5n h GLU 82 CO 0.14 0.06 -0.06 0.77 -0.73 0.00 0.00 179.01 179.20 1j5n h SER 83 N 0.10 -0.13 -0.24 1.04 0.02 -1.27 -1.55 113.55 111.50 1j5n h SER 83 Ca 0.78 -0.42 0.07 0.00 -0.84 0.00 0.00 61.79 61.39 1j5n h SER 83 Cb 2.62 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 65.18 1j5n h SER 83 CO -0.28 0.40 0.39 -0.08 -1.14 0.00 0.00 176.83 176.12 1j5n h GLU 84 N -0.73 0.00 0.12 3.45 4.57 0.10 0.42 114.58 122.51 1j5n h GLU 84 Ca -0.02 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.86 1j5n h GLU 84 Cb 0.54 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1j5n h GLU 84 CO 0.03 0.00 -1.50 1.57 -1.18 0.00 0.00 179.01 177.92 1j5n h LYS 85 N 0.00 0.25 -0.52 1.92 2.10 -0.65 -1.12 116.57 118.55 1j5n h LYS 85 Ca 0.12 -0.42 0.07 0.00 -2.00 0.00 0.00 60.65 58.41 1j5n h LYS 85 Cb 0.89 0.16 -0.03 0.00 -0.90 0.00 0.00 32.23 32.35 1j5n h LYS 85 CO -0.00 1.12 0.35 1.05 -2.00 0.00 0.00 179.45 179.96 1j5n h GLU 86 N 0.07 0.41 0.18 0.07 4.11 0.86 -1.29 114.58 118.99 1j5n h GLU 86 Ca -0.23 -0.02 -0.29 0.00 0.07 0.00 0.00 59.36 58.88 1j5n h GLU 86 Cb 2.01 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 31.18 1j5n h GLU 86 CO 0.17 0.27 -1.39 1.25 0.07 0.00 0.00 179.01 179.38 1j5n h LEU 87 N 0.43 0.59 -0.91 3.06 6.46 -1.42 -1.31 115.31 122.21 1j5n h LEU 87 Ca 0.23 -0.92 0.38 0.00 -0.12 0.00 0.00 57.88 57.45 1j5n h LEU 87 Cb 0.35 -0.19 -0.16 0.00 -0.73 0.00 0.00 40.66 39.93 1j5n h LEU 87 CO -0.06 1.64 0.49 0.00 -0.62 0.00 0.00 178.44 179.89 1j5n n TYR 88 N -3.83 1.05 -0.04 1.25 9.36 -0.42 0.19 117.16 124.72 1j5n n TYR 88 Ca -0.20 1.06 -0.08 0.00 3.32 0.00 0.00 57.90 62.00 1j5n n TYR 88 Cb 0.98 -1.47 -0.14 0.00 -0.63 0.00 0.00 39.34 38.08 1j5n n TYR 88 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1j5n n ASN 89 N -5.04 0.54 0.00 2.98 0.23 -0.80 -1.65 115.26 111.52 1j5n n ASN 89 Ca 0.34 0.25 0.07 0.00 -0.53 0.00 0.00 54.58 54.72 1j5n n ASN 89 Cb 1.17 0.39 0.44 0.00 -2.08 0.00 0.00 39.78 39.71 1j5n n ASN 89 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1j5n n ALA 90 N -2.60 2.39 0.00 -2.53 0.00 0.50 -1.56 120.51 116.73 1j5n n ALA 90 Ca -0.21 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1j5n n ALA 90 Cb 1.05 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1j5n n ALA 90 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1j5n n THR 91 N -0.79 0.00 0.12 0.00 5.66 0.23 -4.83 114.28 114.67 1j5n n THR 91 Ca 0.11 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.09 1j5n n THR 91 Cb 0.05 -0.53 0.12 0.00 -1.55 0.00 0.00 70.33 68.42 1j5n n THR 91 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 175.07 172.19 1j5n h LEU 92 N 0.00 0.02 -0.33 1.09 8.10 -1.42 -3.51 115.31 119.27 1j5n h LEU 92 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.98 1j5n h LEU 92 Cb 0.26 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.47 1j5n h LEU 92 CO 0.00 0.70 0.00 0.00 -4.11 0.00 0.00 178.44 175.03