#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 2.78 -0.88 2.03 3.14 -1.26 -4.89 118.33 119.26 1j5n n VAL 2 Ca 0.00 -0.50 -0.31 0.00 -2.96 0.00 0.00 64.34 60.57 1j5n n VAL 2 Cb 0.00 -1.45 0.03 0.00 -1.06 0.00 0.00 33.84 31.37 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 -0.50 0.00 0.45 1.55 -2.24 -1.26 -4.77 114.28 107.52 1j5n n THR 3 Ca 0.08 -0.43 0.09 0.00 -2.27 0.00 0.00 64.05 61.52 1j5n n THR 3 Cb 0.41 0.00 0.38 0.00 -2.10 0.00 0.00 70.33 69.01 1j5n n THR 3 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1j5n n PRO 4 N 2.12 0.07 -2.67 -0.78 -0.04 -1.26 -4.88 135.00 127.57 1j5n n PRO 4 Ca -0.01 0.32 -0.09 0.00 -0.04 0.00 0.00 63.50 63.68 1j5n n PRO 4 Cb 0.48 -1.64 0.02 0.00 -0.04 0.00 0.00 33.50 32.32 1j5n n PRO 4 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1j5n n ARG 5 N -1.78 -2.26 -3.04 0.54 1.74 -1.26 -5.00 116.66 105.59 1j5n n ARG 5 Ca 0.03 0.34 -0.12 0.00 -0.77 0.00 0.00 57.85 57.32 1j5n n ARG 5 Cb 0.19 -3.96 -0.03 0.00 -1.02 0.00 0.00 32.46 27.63 1j5n n ARG 5 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1j5n s GLU 6 N -5.14 0.97 -0.02 5.56 2.02 -1.26 -5.13 118.70 115.70 1j5n s GLU 6 Ca 0.15 -1.35 -0.30 0.00 0.02 0.00 0.00 54.97 53.49 1j5n s GLU 6 Cb -0.07 -0.55 -0.05 0.00 0.10 0.00 0.00 34.13 33.56 1j5n s GLU 6 CO 0.19 -1.33 1.47 -1.25 0.02 0.00 0.00 175.26 174.35 1j5n s PRO 7 N 0.70 4.25 -0.73 0.39 0.04 -1.26 -4.97 135.00 133.42 1j5n s PRO 7 Ca 0.29 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.40 1j5n s PRO 7 Cb -0.00 -3.68 0.24 0.00 0.04 0.00 0.00 34.50 31.09 1j5n s PRO 7 CO -0.10 -0.66 0.78 1.17 0.04 0.00 0.00 177.00 178.23 1j5n n LYS 8 N 5.88 2.60 0.00 4.56 3.00 -1.26 -5.02 118.16 127.92 1j5n n LYS 8 Ca 0.14 -4.61 0.00 0.00 -0.00 0.00 0.00 58.31 53.85 1j5n n LYS 8 Cb 0.43 -2.31 0.00 0.00 0.00 0.00 0.00 35.03 33.15 1j5n n LYS 8 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1j5n n LYS 9 N 1.29 0.00 0.39 1.64 5.02 -1.26 -5.03 118.16 120.21 1j5n n LYS 9 Ca 0.26 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.40 1j5n n LYS 9 Cb 0.38 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.32 1j5n n LYS 9 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j5n h ARG 10 N 0.00 -0.97 0.00 1.97 -0.00 -2.06 -3.46 114.38 109.85 1j5n h ARG 10 Ca 0.00 0.07 0.00 0.00 -0.50 0.00 0.00 59.98 59.55 1j5n h ARG 10 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 29.97 30.19 1j5n h ARG 10 CO 0.00 -0.65 0.00 2.41 0.00 0.00 0.00 179.97 181.73 1j5n n THR 11 N -5.21 0.00 -1.00 2.04 -1.04 -1.26 -4.90 114.28 102.91 1j5n n THR 11 Ca -0.13 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.71 1j5n n THR 11 Cb 0.40 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.76 1j5n n THR 11 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1j5n n THR 12 N -2.00 0.00 -0.85 12.58 -2.24 -1.26 -4.70 114.28 115.81 1j5n n THR 12 Ca 0.00 -0.27 -0.27 0.00 -2.27 0.00 0.00 64.05 61.24 1j5n n THR 12 Cb 0.00 -0.06 0.01 0.00 -2.10 0.00 0.00 70.33 68.18 1j5n n THR 12 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1j5n n ARG 13 N 4.04 0.00 0.00 -0.78 1.85 -1.26 -4.96 116.66 115.55 1j5n n ARG 13 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.30 1j5n n ARG 13 Cb 0.08 -0.70 0.00 0.00 -1.05 0.00 0.00 32.46 30.79 1j5n n ARG 13 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1j5n n LYS 14 N 1.19 0.00 0.00 2.89 5.02 -1.26 -5.15 118.16 120.84 1j5n n LYS 14 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1j5n n LYS 14 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 1j5n n LYS 14 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1j5n n LYS 15 N 0.00 0.00 -3.42 1.97 2.85 -1.26 -5.08 118.16 113.21 1j5n n LYS 15 Ca 0.00 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.06 1j5n n LYS 15 Cb 0.00 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.39 1j5n n LYS 15 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1j5n n LYS 16 N 0.00 -1.71 0.00 -1.58 4.81 -1.26 -4.98 118.16 113.44 1j5n n LYS 16 Ca 0.00 1.29 0.00 0.00 -0.87 0.00 0.00 58.31 58.73 1j5n n LYS 16 Cb 0.00 -3.49 0.00 0.00 0.02 0.00 0.00 35.03 31.56 1j5n n LYS 16 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1j5n n ASP 17 N -1.50 0.00 0.29 3.14 9.92 -1.26 -4.92 116.55 122.23 1j5n n ASP 17 Ca -0.13 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.01 1j5n n ASP 17 Cb 0.62 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 41.04 1j5n n ASP 17 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1j5n h PRO 18 N 0.00 -0.74 0.00 -0.24 0.13 -1.93 -3.34 132.00 125.88 1j5n h PRO 18 Ca 0.00 0.05 -0.32 0.00 -0.87 0.00 0.00 66.00 64.86 1j5n h PRO 18 Cb 0.00 0.17 -0.06 0.00 0.13 0.00 0.00 31.00 31.24 1j5n h PRO 18 CO 0.00 -0.49 -2.04 0.09 -0.23 0.00 0.00 178.00 175.33 1j5n n ASN 19 N -4.15 0.44 -3.17 1.44 3.02 -1.26 -5.05 115.26 106.54 1j5n n ASN 19 Ca -0.09 0.21 -0.22 0.00 -0.03 0.00 0.00 54.58 54.45 1j5n n ASN 19 Cb 0.31 0.48 0.02 0.00 -0.61 0.00 0.00 39.78 39.98 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 -2.64 -2.68 0.12 5.41 0.00 -1.26 -4.91 120.51 114.54 1j5n n ALA 20 Ca -0.24 0.76 -0.13 0.00 0.00 0.00 0.00 53.44 53.82 1j5n n ALA 20 Cb 1.10 -3.00 -0.06 0.00 0.00 0.00 0.00 19.45 17.48 1j5n n ALA 20 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1j5n h PRO 21 N 1.95 -0.36 -1.22 0.00 0.13 -1.96 -3.48 132.00 127.06 1j5n h PRO 21 Ca -0.26 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1j5n h PRO 21 Cb 1.19 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1j5n h PRO 21 CO 0.22 -0.24 0.00 1.63 -0.23 0.00 0.00 178.00 179.38 1j5n n LYS 22 N -5.31 0.00 0.00 0.86 5.02 -1.26 -4.98 118.16 112.49 1j5n n LYS 22 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1j5n n LYS 22 Cb 0.22 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 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 -0.61 0.00 -3.40 1.97 1.85 -1.26 -4.87 116.66 110.34 1j5n n ARG 23 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.71 1j5n n ARG 23 Cb 0.25 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.62 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 1.28 0.35 -1.13 2.89 0.00 -1.26 -4.67 120.51 117.98 1j5n n ALA 24 Ca 0.00 -1.21 -0.10 0.00 0.00 0.00 0.00 53.44 52.13 1j5n n ALA 24 Cb 0.00 0.84 0.12 0.00 0.00 0.00 0.00 19.45 20.42 1j5n n ALA 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1j5n n LEU 25 N 0.00 0.00 -4.33 0.00 4.32 -1.26 -4.99 117.00 110.74 1j5n n LEU 25 Ca -0.02 -0.62 -0.17 0.00 -0.02 0.00 0.00 56.01 55.18 1j5n n LEU 25 Cb 0.36 -0.51 -0.10 0.00 -1.62 0.00 0.00 43.42 41.55 1j5n n LEU 25 CO 0.19 -1.45 -0.37 -0.55 -1.22 0.00 0.00 177.39 173.99 1j5n s SER 26 N -3.10 2.04 0.48 -1.43 0.15 -1.26 -4.76 113.70 105.82 1j5n s SER 26 Ca 0.36 -1.14 0.28 0.00 0.70 0.00 0.00 55.95 56.15 1j5n s SER 26 Cb -0.03 -0.04 1.55 0.00 -1.71 0.00 0.00 66.02 65.79 1j5n s SER 26 CO 0.27 -0.41 1.86 0.00 1.20 0.00 0.00 173.24 176.16 1j5n h ALA 27 N 2.52 1.08 0.00 5.45 0.00 -1.86 0.17 119.26 126.62 1j5n h ALA 27 Ca -0.38 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.32 1j5n h ALA 27 Cb 1.22 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1j5n h ALA 27 CO 0.64 -0.08 -1.03 -0.92 0.00 0.00 0.00 179.25 177.86 1j5n h TYR 28 N 0.00 0.00 0.04 0.00 5.03 -1.94 -2.08 116.97 118.02 1j5n h TYR 28 Ca 0.00 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.20 1j5n h TYR 28 Cb 0.20 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.49 1j5n h TYR 28 CO 0.00 0.98 -0.46 0.52 -1.32 0.00 0.00 178.16 177.88 1j5n h MET 29 N 0.00 0.25 -0.29 1.82 0.00 -1.07 0.13 114.93 115.77 1j5n h MET 29 Ca -0.03 -0.31 -0.07 0.00 0.00 0.00 0.00 59.70 59.29 1j5n h MET 29 Cb 1.77 0.10 -0.01 0.00 0.00 0.00 0.00 31.60 33.46 1j5n h MET 29 CO 0.12 1.06 -0.08 0.74 0.00 0.00 0.00 176.91 178.76 1j5n h PHE 30 N -0.43 0.63 0.58 -0.22 0.04 -1.58 0.16 116.94 116.12 1j5n h PHE 30 Ca -0.07 -0.14 -0.03 0.00 2.80 0.00 0.00 57.97 60.54 1j5n h PHE 30 Cb 1.26 -0.15 0.01 0.00 2.20 0.00 0.00 35.95 39.26 1j5n h PHE 30 CO 0.19 0.76 -0.28 0.35 -0.60 0.00 0.00 178.31 178.73 1j5n h PHE 31 N 0.32 -0.72 -0.54 -0.55 3.57 -1.49 -2.48 116.94 115.04 1j5n h PHE 31 Ca 0.07 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.71 1j5n h PHE 31 Cb 0.56 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1j5n h PHE 31 CO 0.05 -0.40 0.56 0.00 -2.23 0.00 0.00 178.31 176.30 1j5n h ALA 32 N -0.94 2.29 -0.05 2.41 0.00 -0.78 0.32 119.26 122.52 1j5n h ALA 32 Ca -0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1j5n h ALA 32 Cb 0.65 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1j5n h ALA 32 CO 0.13 -0.84 0.00 -0.91 0.00 0.00 0.00 179.25 177.63 1j5n h ASN 33 N 0.00 0.09 -0.40 0.00 2.35 -0.29 0.24 115.58 117.56 1j5n h ASN 33 Ca 0.26 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1j5n h ASN 33 Cb 1.38 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.71 1j5n h ASN 33 CO -0.00 0.37 0.16 -0.33 -1.65 0.00 0.00 177.43 175.97 1j5n h GLU 34 N -0.19 0.61 0.00 0.81 4.39 -0.00 -3.33 114.58 116.86 1j5n h GLU 34 Ca 0.01 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1j5n h GLU 34 Cb 0.32 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1j5n h GLU 34 CO 0.00 0.57 0.00 0.09 -1.16 0.00 0.00 179.01 178.52 1j5n n ASN 35 N -4.64 0.00 0.00 1.42 5.03 -0.28 -2.24 115.26 114.55 1j5n n ASN 35 Ca -0.00 0.75 0.00 0.00 0.87 0.00 0.00 54.58 56.20 1j5n n ASN 35 Cb 0.15 -0.35 0.00 0.00 -1.02 0.00 0.00 39.78 38.56 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 -1.56 0.00 0.16 3.52 0.63 0.84 0.42 116.66 120.67 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 -0.07 0.00 0.45 0.00 0.00 32.46 32.84 1j5n n ARG 36 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1j5n h ASP 37 N 0.00 -0.37 0.00 6.15 5.19 -1.68 -1.46 116.42 124.25 1j5n h ASP 37 Ca 0.00 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1j5n h ASP 37 Cb 0.00 0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.61 1j5n h ASP 37 CO 0.00 0.04 0.00 -0.38 -3.12 0.00 0.00 179.24 175.78 1j5n n ILE 38 N -5.12 0.00 -0.09 0.35 -0.00 1.40 0.34 119.36 116.24 1j5n n ILE 38 Ca -0.09 1.49 -0.13 0.00 -0.00 0.00 0.00 62.75 64.02 1j5n n ILE 38 Cb 0.27 -2.37 -0.09 0.00 -0.00 0.00 0.00 39.64 37.45 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 0.00 0.00 1.39 2.07 -0.28 0.22 116.25 119.65 1j5n h VAL 39 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1j5n h VAL 39 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1j5n h VAL 39 CO 0.00 0.00 0.00 0.08 0.02 0.00 0.00 177.57 177.67 1j5n h ARG 40 N -0.41 0.00 0.00 1.57 -0.00 -1.30 -0.38 114.38 113.86 1j5n h ARG 40 Ca 0.05 0.00 -0.18 0.00 -0.00 0.00 0.00 59.98 59.86 1j5n h ARG 40 Cb 0.56 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.51 1j5n h ARG 40 CO -0.50 0.00 -0.85 0.77 -0.00 0.00 0.00 179.97 179.39 1j5n h SER 41 N 0.00 0.00 0.64 0.08 0.02 0.31 -1.48 113.55 113.11 1j5n h SER 41 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1j5n h SER 41 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1j5n h SER 41 CO 0.00 0.83 -1.00 -0.62 -1.14 0.00 0.00 176.83 174.89 1j5n n GLU 42 N -3.29 0.39 -3.19 3.45 1.02 -0.28 -4.44 120.64 114.30 1j5n n GLU 42 Ca 0.00 0.03 -0.18 0.00 -0.02 0.00 0.00 57.16 56.99 1j5n n GLU 42 Cb 0.87 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.59 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 -2.19 0.75 0.33 1.62 3.02 -0.42 -4.94 115.26 113.42 1j5n n ASN 43 Ca 0.01 -2.99 0.21 0.00 -0.03 0.00 0.00 54.58 51.78 1j5n n ASN 43 Cb 0.47 -0.61 1.12 0.00 -0.61 0.00 0.00 39.78 40.16 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 3.09 0.00 0.35 3.52 0.11 -1.48 -2.76 132.00 134.83 1j5n h PRO 44 Ca 0.10 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 1j5n h PRO 44 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1j5n h PRO 44 CO 0.49 0.00 -0.17 -0.44 -0.21 0.00 0.00 178.00 177.68 1j5n h ASP 45 N 0.00 -0.39 -2.37 -2.05 5.19 -1.92 -3.44 116.42 111.43 1j5n h ASP 45 Ca 0.00 -0.16 -0.61 0.00 -0.62 0.00 0.00 57.03 55.64 1j5n h ASP 45 Cb 0.10 0.10 0.09 0.00 0.18 0.00 0.00 39.33 39.80 1j5n h ASP 45 CO -0.00 0.02 0.33 2.30 -3.12 0.00 0.00 179.24 178.77 1j5n n ILE 46 N -5.13 1.31 -2.95 0.35 -5.35 -1.04 -4.99 119.36 101.56 1j5n n ILE 46 Ca -0.09 -0.33 -0.20 0.00 -0.27 0.00 0.00 62.75 61.86 1j5n n ILE 46 Cb 0.27 -1.10 0.07 0.00 -1.74 0.00 0.00 39.64 37.14 1j5n n ILE 46 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1j5n s THR 47 N -0.48 2.18 0.44 7.28 -4.23 -1.26 -4.47 115.64 115.10 1j5n s THR 47 Ca 0.66 -0.93 0.37 0.00 -1.18 0.00 0.00 61.69 60.62 1j5n s THR 47 Cb -0.74 -2.26 0.55 0.00 1.34 0.00 0.00 72.50 71.40 1j5n s THR 47 CO 0.55 0.00 1.33 0.33 -0.54 0.00 0.00 174.62 176.28 1j5n n PHE 48 N -2.33 0.23 -0.06 3.99 7.35 -1.26 0.43 117.46 125.82 1j5n n PHE 48 Ca 0.15 0.24 -0.13 0.00 -0.76 0.00 0.00 57.45 56.95 1j5n n PHE 48 Cb 0.61 -0.66 -0.07 0.00 0.35 0.00 0.00 39.48 39.72 1j5n n PHE 48 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1j5n h GLY 49 N 0.00 0.43 0.00 7.13 0.00 -1.96 0.77 103.07 109.45 1j5n h GLY 49 Ca 0.78 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.62 1j5n h GLY 49 CO -0.16 0.40 -0.44 0.06 0.00 0.00 0.00 176.54 176.40 1j5n h GLN 50 N 0.04 0.00 -0.57 4.80 -0.00 -0.35 -2.93 115.11 116.10 1j5n h GLN 50 Ca 0.03 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.71 1j5n h GLN 50 Cb 0.69 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.14 1j5n h GLN 50 CO 0.04 0.36 0.38 -0.24 -0.00 0.00 0.00 178.83 179.37 1j5n h VAL 51 N -1.00 1.07 0.00 1.86 3.04 -1.08 0.49 116.25 120.63 1j5n h VAL 51 Ca -0.07 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1j5n h VAL 51 Cb 0.60 0.35 0.00 0.00 -2.01 0.00 0.00 31.29 30.23 1j5n h VAL 51 CO -0.04 0.12 0.00 0.61 -1.01 0.00 0.00 177.57 177.25 1j5n n GLY 52 N -1.47 -0.26 0.30 3.17 0.00 0.26 -1.38 105.19 105.81 1j5n n GLY 52 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 0.25 -0.96 1.61 1.57 -1.52 0.66 116.57 118.17 1j5n h LYS 53 Ca 0.00 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1j5n h LYS 53 Cb 0.00 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.20 1j5n h LYS 53 CO 0.00 0.16 0.63 -0.22 -0.57 0.00 0.00 179.45 179.46 1j5n h LYS 54 N 0.25 1.24 -0.17 3.15 1.63 -1.04 -2.48 116.57 119.16 1j5n h LYS 54 Ca 0.52 -0.07 0.05 0.00 -0.85 0.00 0.00 60.65 60.30 1j5n h LYS 54 Cb 1.01 -0.28 -0.06 0.00 -0.60 0.00 0.00 32.23 32.30 1j5n h LYS 54 CO -0.60 0.82 -0.26 1.25 -3.45 0.00 0.00 179.45 177.21 1j5n h LEU 55 N 1.28 -0.80 0.21 5.20 6.46 0.16 -0.76 115.31 127.06 1j5n h LEU 55 Ca 0.36 0.13 0.01 0.00 -0.12 0.00 0.00 57.88 58.26 1j5n h LEU 55 Cb -0.11 0.36 -0.03 0.00 -0.73 0.00 0.00 40.66 40.16 1j5n h LEU 55 CO -0.09 -0.30 -0.29 1.23 -0.62 0.00 0.00 178.44 178.37 1j5n h GLY 56 N -0.30 -0.62 0.14 3.75 0.00 -0.99 0.42 103.07 105.48 1j5n h GLY 56 Ca 0.11 0.34 0.14 0.00 0.00 0.00 0.00 47.33 47.92 1j5n h GLY 56 CO -0.34 -0.25 0.28 1.05 0.00 0.00 0.00 176.54 177.28 1j5n h GLU 57 N -0.57 0.41 0.00 4.80 4.11 -1.20 0.32 114.58 122.44 1j5n h GLU 57 Ca 0.01 -0.02 -0.08 0.00 0.07 0.00 0.00 59.36 59.34 1j5n h GLU 57 Cb 0.55 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1j5n h GLU 57 CO -0.11 0.27 -0.36 0.87 0.07 0.00 0.00 179.01 179.75 1j5n h LYS 58 N 0.42 0.00 0.55 1.06 1.57 -0.72 -0.89 116.57 118.56 1j5n h LYS 58 Ca 0.40 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.17 1j5n h LYS 58 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1j5n h LYS 58 CO -0.41 0.36 -0.39 2.35 -0.57 0.00 0.00 179.45 180.79 1j5n h TRP 59 N 0.00 -1.05 0.00 -1.35 -0.00 0.38 -1.37 115.95 112.56 1j5n h TRP 59 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.88 1j5n h TRP 59 Cb 0.81 0.39 0.00 0.00 -0.00 0.00 0.00 29.16 30.36 1j5n h TRP 59 CO 0.00 -0.58 0.00 0.87 -0.00 0.00 0.00 178.44 178.73 1j5n h LYS 60 N -0.91 0.00 -0.00 2.65 1.57 -1.45 -3.14 116.57 115.29 1j5n h LYS 60 Ca -0.06 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1j5n h LYS 60 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1j5n h LYS 60 CO 0.03 0.00 -0.43 0.00 -0.57 0.00 0.00 179.45 178.48 1j5n h ALA 61 N 2.14 1.29 -3.00 3.86 0.00 -0.62 -3.35 119.26 119.57 1j5n h ALA 61 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1j5n h ALA 61 Cb 0.78 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1j5n h ALA 61 CO 0.00 0.54 0.00 1.28 0.00 0.00 0.00 179.25 181.07 1j5n n LEU 62 N -4.03 0.00 0.00 0.00 4.77 -0.57 -5.04 117.00 112.13 1j5n n LEU 62 Ca -0.02 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1j5n n LEU 62 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1j5n n LEU 62 CO 0.40 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.87 1j5n n THR 63 N -0.34 0.00 -0.33 -5.08 -1.04 -1.26 -4.86 114.28 101.37 1j5n n THR 63 Ca 0.00 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.18 1j5n n THR 63 Cb 0.00 0.00 0.34 0.00 -1.82 0.00 0.00 70.33 68.85 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 0.03 -0.20 -2.82 0.11 -1.95 0.52 132.00 127.70 1j5n h PRO 64 Ca 0.00 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1j5n h PRO 64 Cb 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 1j5n h PRO 64 CO 0.00 0.02 0.12 1.49 -0.21 0.00 0.00 178.00 179.42 1j5n h GLU 65 N 0.03 0.27 -0.64 1.05 4.81 -2.00 -0.89 114.58 117.22 1j5n h GLU 65 Ca 0.64 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.95 1j5n h GLU 65 Cb 1.39 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.67 1j5n h GLU 65 CO -0.86 0.22 0.43 0.93 -0.73 0.00 0.00 179.01 178.99 1j5n h GLU 66 N 0.24 0.41 0.00 1.92 4.39 -0.36 0.13 114.58 121.32 1j5n h GLU 66 Ca 0.07 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.63 1j5n h GLU 66 Cb 0.01 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1j5n h GLU 66 CO -0.01 0.27 -0.53 0.87 -1.16 0.00 0.00 179.01 178.44 1j5n h LYS 67 N 0.42 0.00 -0.36 2.33 1.57 -0.31 -3.36 116.57 116.87 1j5n h LYS 67 Ca 0.30 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.11 1j5n h LYS 67 Cb 0.60 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 1j5n h LYS 67 CO -0.09 0.53 -0.21 1.04 -0.57 0.00 0.00 179.45 180.16 1j5n n GLN 68 N -3.50 -0.15 0.02 3.15 6.02 0.45 0.62 117.38 123.99 1j5n n GLN 68 Ca 0.00 0.54 -0.12 0.00 -0.01 0.00 0.00 57.00 57.41 1j5n n GLN 68 Cb 0.63 -0.79 -0.06 0.00 1.02 0.00 0.00 30.24 31.04 1j5n n GLN 68 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1j5n h PRO 69 N 0.00 -0.47 0.00 -1.09 0.13 -1.75 0.09 132.00 128.91 1j5n h PRO 69 Ca 0.06 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1j5n h PRO 69 Cb 0.15 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.39 1j5n h PRO 69 CO -0.34 -0.31 -0.04 1.88 -0.23 0.00 0.00 178.00 178.97 1j5n h TYR 70 N -0.49 0.00 -0.99 1.56 0.05 -0.34 -1.61 116.97 115.16 1j5n h TYR 70 Ca 0.07 0.00 0.19 0.00 0.05 0.00 0.00 58.73 59.04 1j5n h TYR 70 Cb 0.61 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 38.17 1j5n h TYR 70 CO -0.44 0.00 -0.27 -1.91 -1.05 0.00 0.00 178.16 174.49 1j5n n GLU 71 N -3.73 -0.11 -0.28 4.88 2.13 0.20 0.33 120.64 124.06 1j5n n GLU 71 Ca -0.00 1.53 -0.05 0.00 0.66 0.00 0.00 57.16 59.30 1j5n n GLU 71 Cb 0.02 -2.29 0.07 0.00 0.27 0.00 0.00 31.44 29.50 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 1.87 0.97 0.00 4.31 0.00 -1.04 0.49 119.26 125.87 1j5n h ALA 72 Ca 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1j5n h ALA 72 Cb 0.70 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1j5n h ALA 72 CO -1.01 0.43 0.00 0.87 0.00 0.00 0.00 179.25 179.54 1j5n h LYS 73 N 1.04 0.00 0.08 0.00 1.57 0.64 -0.78 116.57 119.13 1j5n h LYS 73 Ca 0.28 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.89 1j5n h LYS 73 Cb -0.06 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.26 1j5n h LYS 73 CO -0.05 0.00 -0.71 0.00 -0.57 0.00 0.00 179.45 178.12 1j5n h ALA 74 N 2.03 -0.03 -0.03 3.86 0.00 0.69 -1.39 119.26 124.39 1j5n h ALA 74 Ca 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 1j5n h ALA 74 Cb 0.05 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1j5n h ALA 74 CO 0.00 0.35 -0.23 1.96 0.00 0.00 0.00 179.25 181.34 1j5n h GLN 75 N -0.29 0.05 -0.14 0.00 4.20 -0.67 0.39 115.11 118.65 1j5n h GLN 75 Ca -0.11 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 1j5n h GLN 75 Cb 1.49 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.26 1j5n h GLN 75 CO 0.13 0.28 -0.02 0.00 -0.67 0.00 0.00 178.83 178.56 1j5n h ALA 76 N 1.73 0.19 0.00 3.87 0.00 -1.15 -2.21 119.26 121.69 1j5n h ALA 76 Ca 0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1j5n h ALA 76 Cb 0.43 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1j5n h ALA 76 CO 0.03 -0.08 -0.46 0.22 0.00 0.00 0.00 179.25 178.96 1j5n h ASP 77 N -0.02 0.00 -0.68 0.00 1.82 -0.86 -1.99 116.42 114.69 1j5n h ASP 77 Ca 0.04 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1j5n h ASP 77 Cb 0.41 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.39 1j5n h ASP 77 CO 0.01 0.46 0.40 0.50 -1.61 0.00 0.00 179.24 179.00 1j5n h LYS 78 N 0.00 0.92 -0.30 0.28 3.11 -0.04 -2.20 116.57 118.35 1j5n h LYS 78 Ca -0.00 -0.09 -0.12 0.00 -2.81 0.00 0.00 60.65 57.63 1j5n h LYS 78 Cb 0.97 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 32.00 1j5n h LYS 78 CO 0.06 0.67 -0.27 0.87 -2.81 0.00 0.00 179.45 177.96 1j5n h LYS 79 N 0.92 0.71 -0.94 1.90 1.57 -1.24 -0.34 116.57 119.15 1j5n h LYS 79 Ca 0.24 -0.37 0.10 0.00 -1.87 0.00 0.00 60.65 58.76 1j5n h LYS 79 Cb -0.01 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.18 1j5n h LYS 79 CO -0.04 0.98 -0.50 -2.13 -0.57 0.00 0.00 179.45 177.19 1j5n n ARG 80 N -4.26 -0.36 0.07 3.15 3.00 -0.76 0.94 116.66 118.44 1j5n n ARG 80 Ca -0.04 1.43 -0.07 0.00 -0.00 0.00 0.00 57.85 59.17 1j5n n ARG 80 Cb 0.46 -2.11 0.08 0.00 0.00 0.00 0.00 32.46 30.89 1j5n n ARG 80 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.63 176.71 1j5n h TYR 81 N 0.00 0.41 -0.66 -0.14 5.03 -1.45 -3.01 116.97 117.16 1j5n h TYR 81 Ca 0.20 -0.17 0.19 0.00 2.58 0.00 0.00 58.73 61.53 1j5n h TYR 81 Cb 0.44 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.62 1j5n h TYR 81 CO -0.93 0.88 0.83 1.49 -1.32 0.00 0.00 178.16 179.11 1j5n h GLU 82 N 0.22 0.00 -0.03 1.82 4.81 0.24 0.74 114.58 122.38 1j5n h GLU 82 Ca -0.02 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1j5n h GLU 82 Cb 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1j5n h GLU 82 CO 0.11 0.00 -0.21 0.77 -0.73 0.00 0.00 179.01 178.95 1j5n h SER 83 N 0.00 0.23 0.65 1.04 0.02 -1.08 -0.96 113.55 113.45 1j5n h SER 83 Ca 0.31 -0.69 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1j5n h SER 83 Cb 1.97 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.44 1j5n h SER 83 CO -0.00 0.89 0.00 -1.84 -1.14 0.00 0.00 176.83 174.73 1j5n n GLU 84 N -4.55 0.18 -0.07 3.45 0.28 0.24 -2.04 120.64 118.14 1j5n n GLU 84 Ca -0.09 0.44 -0.21 0.00 -0.16 0.00 0.00 57.16 57.14 1j5n n GLU 84 Cb 0.45 -1.86 -0.12 0.00 1.43 0.00 0.00 31.44 31.33 1j5n n GLU 84 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 1j5n h LYS 85 N 0.00 0.07 -0.86 3.44 2.10 -0.99 0.29 116.57 120.61 1j5n h LYS 85 Ca 0.00 -0.13 0.16 0.00 -2.00 0.00 0.00 60.65 58.68 1j5n h LYS 85 Cb 0.33 0.05 -0.07 0.00 -0.90 0.00 0.00 32.23 31.64 1j5n h LYS 85 CO 0.00 1.06 0.56 1.05 -2.00 0.00 0.00 179.45 180.12 1j5n h GLU 86 N -0.76 0.56 0.23 0.07 4.11 -0.98 0.57 114.58 118.38 1j5n h GLU 86 Ca -0.30 -0.03 -0.34 0.00 0.07 0.00 0.00 59.36 58.76 1j5n h GLU 86 Cb 1.42 -0.13 0.03 0.00 0.50 0.00 0.00 28.75 30.58 1j5n h GLU 86 CO -0.10 0.37 -1.55 1.25 0.07 0.00 0.00 179.01 179.05 1j5n h LEU 87 N 0.57 0.78 -0.83 3.06 6.46 -1.53 -1.68 115.31 122.13 1j5n h LEU 87 Ca 0.44 -0.90 0.31 0.00 -0.12 0.00 0.00 57.88 57.61 1j5n h LEU 87 Cb 0.84 -0.25 -0.15 0.00 -0.73 0.00 0.00 40.66 40.37 1j5n h LEU 87 CO -0.19 1.72 0.32 0.00 -0.62 0.00 0.00 178.44 179.67 1j5n n TYR 88 N -3.68 0.84 -0.04 1.25 9.36 0.13 0.20 117.16 125.23 1j5n n TYR 88 Ca -0.19 0.99 -0.09 0.00 3.32 0.00 0.00 57.90 61.93 1j5n n TYR 88 Cb 1.10 -1.32 -0.14 0.00 -0.63 0.00 0.00 39.34 38.35 1j5n n TYR 88 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1j5n n ASN 89 N -4.98 0.70 0.00 2.98 3.02 -0.84 -1.81 115.26 114.33 1j5n n ASN 89 Ca 0.28 0.31 0.07 0.00 -0.03 0.00 0.00 54.58 55.21 1j5n n ASN 89 Cb 0.94 0.17 0.43 0.00 -0.61 0.00 0.00 39.78 40.71 1j5n n ASN 89 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j5n n ALA 90 N -2.61 2.34 0.00 5.41 0.00 0.54 -1.79 120.51 124.39 1j5n n ALA 90 Ca -0.21 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1j5n n ALA 90 Cb 1.08 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.80 0.00 0.04 0.00 5.66 0.26 -4.82 114.28 114.62 1j5n n THR 91 Ca 0.11 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.07 1j5n n THR 91 Cb 0.05 -0.63 0.19 0.00 -1.55 0.00 0.00 70.33 68.39 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 0.43 -1.25 1.09 8.10 -1.44 -3.51 115.31 118.73 1j5n h LEU 92 Ca 0.00 -0.17 0.00 0.00 0.11 0.00 0.00 57.88 57.82 1j5n h LEU 92 Cb 0.38 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.48 1j5n h LEU 92 CO 0.00 0.75 0.00 0.00 -4.11 0.00 0.00 178.44 175.08