#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j5n s VAL 2 N 0.00 2.77 -0.04 2.03 -7.23 -1.26 -5.08 120.40 111.59 1j5n s VAL 2 Ca 0.00 -3.55 -0.30 0.00 -1.81 0.00 0.00 61.98 56.32 1j5n s VAL 2 Cb 0.00 -2.88 -0.02 0.00 0.56 0.00 0.00 36.38 34.04 1j5n s VAL 2 CO 0.00 -0.86 0.99 -0.89 -0.31 0.00 0.00 175.10 174.03 1j5n s THR 3 N -0.59 4.82 -0.58 5.32 2.01 -1.26 -4.97 115.64 120.39 1j5n s THR 3 Ca 0.19 2.04 -0.27 0.00 0.31 0.00 0.00 61.69 63.96 1j5n s THR 3 Cb -0.20 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 67.98 1j5n s THR 3 CO -0.04 0.10 1.83 -2.16 -0.69 0.00 0.00 174.62 173.66 1j5n s PRO 4 N 1.37 2.74 -0.08 4.92 0.04 -1.26 -4.80 135.00 137.92 1j5n s PRO 4 Ca 0.51 0.69 0.10 0.00 0.04 0.00 0.00 61.00 62.34 1j5n s PRO 4 Cb -0.20 -4.35 -0.24 0.00 0.04 0.00 0.00 34.50 29.75 1j5n s PRO 4 CO 0.25 -2.60 0.52 0.54 0.04 0.00 0.00 177.00 175.75 1j5n n ARG 5 N 9.07 0.66 -3.83 4.56 3.00 -1.26 -4.63 116.66 124.24 1j5n n ARG 5 Ca 0.20 0.25 -0.31 0.00 -0.01 0.00 0.00 57.85 57.98 1j5n n ARG 5 Cb 0.51 -1.74 -0.11 0.00 0.00 0.00 0.00 32.46 31.13 1j5n n ARG 5 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1j5n s GLU 6 N -2.58 2.58 0.59 5.56 8.01 -1.26 -5.09 118.70 126.51 1j5n s GLU 6 Ca -0.09 -3.11 -0.18 0.00 0.01 0.00 0.00 54.97 51.61 1j5n s GLU 6 Cb 0.08 -3.57 -0.04 0.00 -4.31 0.00 0.00 34.13 26.29 1j5n s GLU 6 CO 0.81 -1.24 1.12 -1.25 0.01 0.00 0.00 175.26 174.72 1j5n s PRO 7 N -1.06 3.14 0.00 0.39 0.04 -1.26 -4.96 135.00 131.29 1j5n s PRO 7 Ca 0.23 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1j5n s PRO 7 Cb -0.11 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1j5n s PRO 7 CO -0.11 -1.00 0.00 1.17 0.04 0.00 0.00 177.00 177.10 1j5n n LYS 8 N -1.72 0.00 -3.75 4.56 4.81 -1.26 -5.08 118.16 115.71 1j5n n LYS 8 Ca 0.11 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.31 1j5n n LYS 8 Cb 0.51 -0.09 -0.17 0.00 0.02 0.00 0.00 35.03 35.30 1j5n n LYS 8 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1j5n s LYS 9 N -1.80 0.56 0.07 1.64 1.02 -1.26 -5.14 119.74 114.83 1j5n s LYS 9 Ca 0.00 0.02 -0.03 0.00 0.02 0.00 0.00 55.97 55.98 1j5n s LYS 9 Cb 0.00 -1.18 -0.03 0.00 -0.52 0.00 0.00 37.83 36.10 1j5n s LYS 9 CO 0.00 -0.38 0.04 -0.98 -0.92 0.00 0.00 175.35 173.11 1j5n s ARG 10 N 1.97 0.72 0.34 1.68 1.70 -1.26 -5.12 118.95 118.98 1j5n s ARG 10 Ca 0.04 -1.19 0.00 0.00 -0.47 0.00 0.00 55.73 54.11 1j5n s ARG 10 Cb -0.13 0.25 0.00 0.00 -0.57 0.00 0.00 34.95 34.50 1j5n s ARG 10 CO -0.06 -0.17 0.00 0.25 -1.08 0.00 0.00 175.30 174.24 1j5n n THR 11 N 0.04 0.00 -1.66 4.99 -2.24 -1.26 -4.89 114.28 109.25 1j5n n THR 11 Ca -0.13 0.14 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1j5n n THR 11 Cb 0.62 -0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 68.25 1j5n n THR 11 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1j5n n THR 12 N -3.93 -0.14 -0.80 4.28 -1.04 -1.26 -4.96 114.28 106.44 1j5n n THR 12 Ca -0.01 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 1j5n n THR 12 Cb 0.66 -1.03 0.02 0.00 -1.82 0.00 0.00 70.33 68.15 1j5n n THR 12 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1j5n n ARG 13 N -2.14 0.00 -2.67 -2.82 1.85 -1.26 -4.93 116.66 104.69 1j5n n ARG 13 Ca -0.06 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.70 1j5n n ARG 13 Cb 0.38 -0.71 0.04 0.00 -1.05 0.00 0.00 32.46 31.11 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 1.44 1.16 -1.18 2.89 5.02 -1.26 -5.13 118.16 121.10 1j5n n LYS 14 Ca 0.02 -3.16 0.12 0.00 -2.02 0.00 0.00 58.31 53.28 1j5n n LYS 14 Cb 0.37 -1.17 -0.06 0.00 -0.02 0.00 0.00 35.03 34.15 1j5n n LYS 14 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1j5n n LYS 15 N -0.11 -2.32 0.00 1.97 4.76 -1.26 -5.03 118.16 116.16 1j5n n LYS 15 Ca 0.08 1.87 0.00 0.00 -2.87 0.00 0.00 58.31 57.39 1j5n n LYS 15 Cb 0.82 -2.88 0.00 0.00 -1.84 0.00 0.00 35.03 31.13 1j5n n LYS 15 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1j5n n LYS 16 N -3.88 0.00 0.00 1.97 4.81 -1.26 -5.18 118.16 114.62 1j5n n LYS 16 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1j5n n LYS 16 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 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 0.00 0.00 0.51 3.14 9.92 -1.26 -4.88 116.55 123.98 1j5n n ASP 17 Ca 0.00 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.06 1j5n n ASP 17 Cb 0.00 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.38 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 -1.23 0.00 -0.24 0.13 -2.00 -3.35 132.00 125.31 1j5n h PRO 18 Ca 0.00 0.08 -0.35 0.00 -0.87 0.00 0.00 66.00 64.87 1j5n h PRO 18 Cb 0.00 0.28 -0.07 0.00 0.13 0.00 0.00 31.00 31.34 1j5n h PRO 18 CO 0.00 -0.82 -2.31 0.09 -0.23 0.00 0.00 178.00 174.73 1j5n n ASN 19 N -5.64 0.33 -3.15 1.44 4.13 -1.26 -5.06 115.26 106.05 1j5n n ASN 19 Ca -0.16 -0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.08 1j5n n ASN 19 Cb 0.51 0.95 0.00 0.00 -1.54 0.00 0.00 39.78 39.69 1j5n n ASN 19 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1j5n n ALA 20 N -2.72 -2.18 -0.09 5.41 0.00 -1.26 -4.85 120.51 114.82 1j5n n ALA 20 Ca -0.31 0.07 -0.06 0.00 0.00 0.00 0.00 53.44 53.14 1j5n n ALA 20 Cb 1.12 -0.63 0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 3.47 0.14 -1.36 0.00 0.11 -1.95 -3.48 132.00 128.94 1j5n h PRO 21 Ca -0.02 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1j5n h PRO 21 Cb 0.90 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1j5n h PRO 21 CO 0.02 0.09 0.00 1.63 -0.21 0.00 0.00 178.00 179.53 1j5n n LYS 22 N -5.12 0.00 0.00 1.05 5.02 -1.26 -4.97 118.16 112.87 1j5n n LYS 22 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1j5n n LYS 22 Cb 0.16 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 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 -0.68 0.00 -2.13 1.97 1.85 -1.26 -4.84 116.66 111.56 1j5n n ARG 23 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.80 1j5n n ARG 23 Cb 0.29 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.70 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 0.79 0.12 -1.64 2.89 0.00 -1.26 -4.74 120.51 116.67 1j5n n ALA 24 Ca 0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 53.44 52.97 1j5n n ALA 24 Cb 0.00 0.18 0.07 0.00 0.00 0.00 0.00 19.45 19.70 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 -4.40 0.00 4.32 -1.26 -5.02 117.00 110.63 1j5n n LEU 25 Ca -0.02 -0.64 -0.21 0.00 -0.02 0.00 0.00 56.01 55.13 1j5n n LEU 25 Cb 0.11 -0.36 -0.10 0.00 -1.62 0.00 0.00 43.42 41.45 1j5n n LEU 25 CO 0.06 -0.82 -0.43 -0.55 -1.22 0.00 0.00 177.39 174.43 1j5n s SER 26 N -2.82 2.89 0.52 -1.43 0.15 -1.26 -4.87 113.70 106.88 1j5n s SER 26 Ca 0.28 -1.08 0.35 0.00 0.70 0.00 0.00 55.95 56.21 1j5n s SER 26 Cb -0.01 -0.19 1.88 0.00 -1.71 0.00 0.00 66.02 65.99 1j5n s SER 26 CO 0.20 -0.17 2.07 0.00 1.20 0.00 0.00 173.24 176.53 1j5n h ALA 27 N 2.40 1.00 0.00 5.45 0.00 -1.86 0.15 119.26 126.39 1j5n h ALA 27 Ca -0.39 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 1j5n h ALA 27 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1j5n h ALA 27 CO 0.63 0.00 -0.58 -0.92 0.00 0.00 0.00 179.25 178.38 1j5n h TYR 28 N 0.00 0.00 0.05 0.00 5.03 -1.94 -2.07 116.97 118.04 1j5n h TYR 28 Ca 0.00 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.25 1j5n h TYR 28 Cb 0.02 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.30 1j5n h TYR 28 CO 0.00 0.42 -0.27 0.52 -1.32 0.00 0.00 178.16 177.51 1j5n h MET 29 N 0.00 0.10 -0.35 1.82 0.00 -1.11 0.76 114.93 116.16 1j5n h MET 29 Ca -0.03 -0.17 -0.06 0.00 0.00 0.00 0.00 59.70 59.44 1j5n h MET 29 Cb 1.35 0.06 -0.01 0.00 0.00 0.00 0.00 31.60 33.00 1j5n h MET 29 CO 0.05 1.08 -0.01 0.74 0.00 0.00 0.00 176.91 178.77 1j5n h PHE 30 N -0.78 0.68 0.35 -0.22 0.04 -1.57 0.28 116.94 115.71 1j5n h PHE 30 Ca -0.05 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.58 1j5n h PHE 30 Cb 1.21 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.19 1j5n h PHE 30 CO 0.25 0.74 -0.17 0.35 -0.60 0.00 0.00 178.31 178.88 1j5n h PHE 31 N 0.43 -0.43 -0.25 -0.55 3.57 -1.51 -2.26 116.94 115.93 1j5n h PHE 31 Ca 0.10 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.66 1j5n h PHE 31 Cb 0.47 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1j5n h PHE 31 CO 0.04 -0.12 0.32 0.00 -2.23 0.00 0.00 178.31 176.32 1j5n h ALA 32 N -0.21 1.86 -0.06 2.41 0.00 -0.82 0.78 119.26 123.22 1j5n h ALA 32 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1j5n h ALA 32 Cb 0.50 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1j5n h ALA 32 CO 0.08 -0.45 0.00 -0.91 0.00 0.00 0.00 179.25 177.97 1j5n h ASN 33 N 0.00 0.11 -0.34 0.00 2.35 0.13 0.39 115.58 118.21 1j5n h ASN 33 Ca 0.12 -0.30 -0.04 0.00 -0.55 0.00 0.00 56.30 55.53 1j5n h ASN 33 Cb 0.76 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 1j5n h ASN 33 CO -0.00 0.38 0.07 -0.33 -1.65 0.00 0.00 177.43 175.90 1j5n h GLU 34 N -0.17 0.55 0.00 0.81 4.39 -0.51 -3.34 114.58 116.30 1j5n h GLU 34 Ca 0.02 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1j5n h GLU 34 Cb 0.33 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1j5n h GLU 34 CO 0.00 0.61 0.00 0.09 -1.16 0.00 0.00 179.01 178.56 1j5n n ASN 35 N -4.61 0.00 0.00 1.42 5.03 -0.26 -2.20 115.26 114.64 1j5n n ASN 35 Ca -0.02 0.73 0.00 0.00 0.87 0.00 0.00 54.58 56.17 1j5n n ASN 35 Cb 0.20 -0.35 0.00 0.00 -1.02 0.00 0.00 39.78 38.61 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 0.05 3.52 0.63 0.14 0.42 116.66 119.85 1j5n n ARG 36 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 1j5n n ARG 36 Cb 0.00 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 32.82 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 -0.16 0.00 6.15 2.03 -1.70 -1.41 116.42 121.34 1j5n h ASP 37 Ca 0.00 -0.38 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 1j5n h ASP 37 Cb 0.00 0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.54 1j5n h ASP 37 CO 0.00 0.35 0.00 -0.38 -1.03 0.00 0.00 179.24 178.18 1j5n n ILE 38 N -4.94 0.00 0.03 4.15 -0.00 1.40 0.38 119.36 120.38 1j5n n ILE 38 Ca -0.08 1.50 -0.14 0.00 -0.00 0.00 0.00 62.75 64.02 1j5n n ILE 38 Cb 0.27 -2.33 -0.09 0.00 -0.00 0.00 0.00 39.64 37.49 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 -0.32 0.12 116.25 119.50 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 -2.11 0.02 0.00 0.00 177.57 175.48 1j5n n ARG 40 N -5.19 0.04 0.01 1.57 -4.01 -0.53 -0.99 116.66 107.57 1j5n n ARG 40 Ca -0.06 0.47 -0.07 0.00 -1.04 0.00 0.00 57.85 57.15 1j5n n ARG 40 Cb 0.36 -1.62 -0.12 0.00 -3.04 0.00 0.00 32.46 28.04 1j5n n ARG 40 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 1j5n h SER 41 N 0.00 0.00 0.62 2.89 0.87 0.25 -2.50 113.55 115.68 1j5n h SER 41 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1j5n h SER 41 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1j5n h SER 41 CO 0.00 0.94 -0.80 -0.62 -0.53 0.00 0.00 176.83 175.82 1j5n n GLU 42 N -3.12 0.25 -3.13 2.24 1.02 -0.16 -4.41 120.64 113.33 1j5n n GLU 42 Ca -0.11 0.03 -0.17 0.00 -0.02 0.00 0.00 57.16 56.89 1j5n n GLU 42 Cb 0.99 -1.62 -0.02 0.00 -0.02 0.00 0.00 31.44 30.77 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 -1.97 0.38 0.30 1.62 3.02 -0.38 -4.95 115.26 113.28 1j5n n ASN 43 Ca 0.03 -3.06 0.19 0.00 -0.03 0.00 0.00 54.58 51.71 1j5n n ASN 43 Cb 0.42 -0.31 1.04 0.00 -0.61 0.00 0.00 39.78 40.32 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 3.10 0.00 0.30 3.52 0.11 -1.65 -2.74 132.00 134.64 1j5n h PRO 44 Ca 0.07 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1j5n h PRO 44 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1j5n h PRO 44 CO 0.45 0.00 -0.15 0.22 -0.21 0.00 0.00 178.00 178.32 1j5n h ASP 45 N 0.00 -0.34 -2.23 -2.05 1.82 -1.92 -3.45 116.42 108.25 1j5n h ASP 45 Ca 0.00 -0.18 -0.62 0.00 -0.39 0.00 0.00 57.03 55.84 1j5n h ASP 45 Cb 0.08 0.09 0.09 0.00 0.68 0.00 0.00 39.33 40.27 1j5n h ASP 45 CO 0.00 0.12 0.25 2.30 -1.61 0.00 0.00 179.24 180.29 1j5n n ILE 46 N -5.07 1.35 -2.92 2.25 -5.35 -1.03 -4.99 119.36 103.60 1j5n n ILE 46 Ca -0.08 -0.34 -0.21 0.00 -0.27 0.00 0.00 62.75 61.86 1j5n n ILE 46 Cb 0.26 -0.97 0.07 0.00 -1.74 0.00 0.00 39.64 37.26 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 -0.53 2.15 0.43 7.28 -4.23 -1.26 -4.46 115.64 115.02 1j5n s THR 47 Ca 0.67 -0.89 0.35 0.00 -1.18 0.00 0.00 61.69 60.63 1j5n s THR 47 Cb -0.77 -2.25 0.53 0.00 1.34 0.00 0.00 72.50 71.34 1j5n s THR 47 CO 0.55 0.00 1.37 0.33 -0.54 0.00 0.00 174.62 176.33 1j5n n PHE 48 N -2.40 0.37 -0.07 3.99 7.35 -1.26 0.33 117.46 125.78 1j5n n PHE 48 Ca 0.16 0.38 -0.13 0.00 -0.76 0.00 0.00 57.45 57.10 1j5n n PHE 48 Cb 0.61 -0.80 -0.06 0.00 0.35 0.00 0.00 39.48 39.58 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 0.45 0.00 7.13 0.00 -1.95 0.84 103.07 109.53 1j5n h GLY 49 Ca 0.80 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 1j5n h GLY 49 CO -0.25 0.38 -0.29 0.06 0.00 0.00 0.00 176.54 176.44 1j5n h GLN 50 N 0.10 0.00 -0.73 4.80 -0.00 -0.45 -2.68 115.11 116.14 1j5n h GLN 50 Ca 0.04 0.00 0.10 0.00 -0.00 0.00 0.00 58.65 58.79 1j5n h GLN 50 Cb 0.61 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.04 1j5n h GLN 50 CO 0.03 0.08 0.48 -0.24 -0.00 0.00 0.00 178.83 179.18 1j5n h VAL 51 N -1.00 0.91 0.00 1.86 3.04 -1.07 0.21 116.25 120.21 1j5n h VAL 51 Ca -0.01 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 1j5n h VAL 51 Cb 0.33 0.26 0.00 0.00 -2.01 0.00 0.00 31.29 29.87 1j5n h VAL 51 CO -0.01 0.11 0.00 0.61 -1.01 0.00 0.00 177.57 177.27 1j5n n GLY 52 N -1.47 1.24 0.35 3.17 0.00 0.28 -1.48 105.19 107.28 1j5n n GLY 52 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 1j5n n GLY 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j5n n LYS 53 N -0.53 -0.09 -0.05 1.61 5.02 -1.01 0.16 118.16 123.27 1j5n n LYS 53 Ca 0.00 1.51 -0.09 0.00 -2.02 0.00 0.00 58.31 57.71 1j5n n LYS 53 Cb 0.00 -2.30 -0.02 0.00 -0.02 0.00 0.00 35.03 32.69 1j5n n LYS 53 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1j5n h LYS 54 N 0.00 0.19 -0.93 1.97 3.11 -1.08 -2.29 116.57 117.55 1j5n h LYS 54 Ca 0.51 -0.01 0.14 0.00 -2.81 0.00 0.00 60.65 58.48 1j5n h LYS 54 Cb 0.86 -0.04 -0.15 0.00 -1.00 0.00 0.00 32.23 31.90 1j5n h LYS 54 CO -0.99 0.13 -0.36 -0.11 -2.81 0.00 0.00 179.45 175.31 1j5n n LEU 55 N -5.02 -0.61 -0.32 5.20 0.00 0.42 0.15 117.00 116.81 1j5n n LEU 55 Ca -0.02 1.62 -0.04 0.00 0.00 0.00 0.00 56.01 57.57 1j5n n LEU 55 Cb 0.07 -0.37 0.08 0.00 0.00 0.00 0.00 43.42 43.21 1j5n n LEU 55 CO 0.30 -1.45 1.20 1.23 0.00 0.00 0.00 177.39 178.67 1j5n h GLY 56 N 0.00 1.26 0.36 -3.96 0.00 -0.95 0.30 103.07 100.08 1j5n h GLY 56 Ca 0.32 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.14 1j5n h GLY 56 CO -0.92 0.51 -0.42 -2.09 0.00 0.00 0.00 176.54 173.61 1j5n h GLU 57 N 1.20 -0.69 0.00 4.80 4.57 0.19 -0.76 114.58 123.88 1j5n h GLU 57 Ca 0.31 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.52 1j5n h GLU 57 Cb -0.06 0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1j5n h GLU 57 CO -0.06 -0.46 -0.11 0.87 -1.18 0.00 0.00 179.01 178.07 1j5n h LYS 58 N -0.72 0.00 -0.04 1.92 1.79 -0.83 -1.44 116.57 117.24 1j5n h LYS 58 Ca 0.00 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.50 1j5n h LYS 58 Cb 0.71 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.32 1j5n h LYS 58 CO -0.19 0.11 -0.14 2.35 -1.08 0.00 0.00 179.45 180.50 1j5n h TRP 59 N 0.00 -0.35 0.00 -1.35 -0.00 0.11 -1.75 115.95 112.60 1j5n h TRP 59 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.90 1j5n h TRP 59 Cb 0.47 0.16 0.00 0.00 -0.00 0.00 0.00 29.16 29.80 1j5n h TRP 59 CO 0.00 -0.20 -0.50 0.87 -0.00 0.00 0.00 178.44 178.60 1j5n h LYS 60 N -0.21 0.00 -0.01 2.65 1.57 -1.28 -3.32 116.57 115.97 1j5n h LYS 60 Ca 0.06 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 1j5n h LYS 60 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1j5n h LYS 60 CO -0.17 0.00 -0.46 0.00 -0.57 0.00 0.00 179.45 178.25 1j5n h ALA 61 N 2.27 1.22 -2.49 3.86 0.00 -0.68 -3.35 119.26 120.10 1j5n h ALA 61 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1j5n h ALA 61 Cb 0.87 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1j5n h ALA 61 CO 0.00 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.11 1j5n n LEU 62 N -3.99 0.00 0.00 0.00 4.77 -0.71 -5.04 117.00 112.03 1j5n n LEU 62 Ca -0.02 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1j5n n LEU 62 Cb 0.49 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1j5n n LEU 62 CO 0.40 -0.09 0.00 0.41 -1.33 0.00 0.00 177.39 176.79 1j5n n THR 63 N -0.90 0.00 0.05 -5.08 -1.04 -1.26 -4.84 114.28 101.22 1j5n n THR 63 Ca 0.00 0.00 0.18 0.00 -2.04 0.00 0.00 64.05 62.19 1j5n n THR 63 Cb 0.00 0.00 0.43 0.00 -1.82 0.00 0.00 70.33 68.94 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 0.14 -2.82 0.11 -1.95 0.70 132.00 128.18 1j5n h PRO 64 Ca 0.00 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.86 1j5n h PRO 64 Cb 0.00 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.14 1j5n h PRO 64 CO 0.00 0.00 -1.07 0.93 -0.21 0.00 0.00 178.00 177.65 1j5n h GLU 65 N 0.00 0.47 0.00 1.05 3.07 -1.99 0.11 114.58 117.30 1j5n h GLU 65 Ca 0.25 -0.70 -0.06 0.00 -0.50 0.00 0.00 59.36 58.35 1j5n h GLU 65 Cb 2.07 0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 30.21 1j5n h GLU 65 CO -0.00 1.31 -0.29 0.93 -1.40 0.00 0.00 179.01 179.56 1j5n h GLU 66 N -0.01 0.00 0.00 2.33 4.39 0.02 -2.99 114.58 118.32 1j5n h GLU 66 Ca -0.17 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.30 1j5n h GLU 66 Cb 1.80 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.41 1j5n h GLU 66 CO 0.20 0.29 -1.58 1.63 -1.16 0.00 0.00 179.01 178.39 1j5n n LYS 67 N -3.55 0.63 -0.37 2.33 5.02 -0.41 -4.09 118.16 117.71 1j5n n LYS 67 Ca -0.01 0.25 0.31 0.00 -2.02 0.00 0.00 58.31 56.84 1j5n n LYS 67 Cb 0.43 -1.79 0.62 0.00 -0.02 0.00 0.00 35.03 34.27 1j5n n LYS 67 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 1j5n h GLN 68 N 0.00 0.20 0.00 1.97 3.07 -0.62 0.46 115.11 120.20 1j5n h GLN 68 Ca -0.23 -0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.50 1j5n h GLN 68 Cb 1.79 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 29.31 1j5n h GLN 68 CO 0.06 0.13 -0.00 -1.35 0.09 0.00 0.00 178.83 177.76 1j5n h PRO 69 N 0.20 -0.00 0.00 0.06 0.11 -1.71 0.21 132.00 130.87 1j5n h PRO 69 Ca 0.65 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.74 1j5n h PRO 69 Cb 2.05 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 33.15 1j5n h PRO 69 CO -0.24 0.09 -0.22 1.88 -0.21 0.00 0.00 178.00 179.30 1j5n h TYR 70 N -0.10 0.00 -0.84 0.65 0.05 -1.22 -1.55 116.97 113.96 1j5n h TYR 70 Ca -0.00 0.00 0.21 0.00 0.05 0.00 0.00 58.73 58.99 1j5n h TYR 70 Cb 0.10 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 37.69 1j5n h TYR 70 CO -0.05 0.45 0.05 1.49 -1.05 0.00 0.00 178.16 179.06 1j5n h GLU 71 N -1.00 0.10 -0.83 4.88 4.81 -0.31 2.68 114.58 124.91 1j5n h GLU 71 Ca -0.04 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1j5n h GLU 71 Cb 0.52 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 1j5n h GLU 71 CO -0.02 0.06 0.40 0.00 -0.73 0.00 0.00 179.01 178.73 1j5n h ALA 72 N 1.79 1.07 0.00 2.92 0.00 -1.07 0.41 119.26 124.38 1j5n h ALA 72 Ca 0.48 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1j5n h ALA 72 Cb 0.91 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1j5n h ALA 72 CO -0.73 0.63 0.00 -0.22 0.00 0.00 0.00 179.25 178.93 1j5n h LYS 73 N 1.17 0.00 0.00 0.00 3.64 0.50 -1.42 116.57 120.46 1j5n h LYS 73 Ca 0.29 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 1j5n h LYS 73 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1j5n h LYS 73 CO -0.04 0.00 -0.07 0.00 -2.27 0.00 0.00 179.45 177.08 1j5n h ALA 74 N 2.07 0.01 -0.67 5.00 0.00 0.65 -1.82 119.26 124.50 1j5n h ALA 74 Ca 0.00 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.52 1j5n h ALA 74 Cb 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1j5n h ALA 74 CO 0.00 -0.05 0.44 1.96 0.00 0.00 0.00 179.25 181.61 1j5n h GLN 75 N -0.74 0.76 -0.55 0.00 4.20 -0.89 0.42 115.11 118.30 1j5n h GLN 75 Ca -0.01 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.67 1j5n h GLN 75 Cb 0.87 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 1j5n h GLN 75 CO 0.01 0.50 0.35 0.00 -0.67 0.00 0.00 178.83 179.02 1j5n h ALA 76 N 1.61 0.71 0.00 3.87 0.00 -1.24 -0.80 119.26 123.41 1j5n h ALA 76 Ca 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1j5n h ALA 76 Cb 0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1j5n h ALA 76 CO -0.08 0.10 -0.07 0.22 0.00 0.00 0.00 179.25 179.42 1j5n h ASP 77 N 0.71 0.00 -0.29 0.00 1.82 -0.26 -2.86 116.42 115.53 1j5n h ASP 77 Ca 0.21 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.85 1j5n h ASP 77 Cb -0.03 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 39.97 1j5n h ASP 77 CO -0.07 0.07 0.16 0.50 -1.61 0.00 0.00 179.24 178.28 1j5n h LYS 78 N 0.00 0.41 -0.44 0.28 3.11 0.12 -2.43 116.57 117.62 1j5n h LYS 78 Ca -0.00 -0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 57.71 1j5n h LYS 78 Cb 0.81 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.95 1j5n h LYS 78 CO 0.01 0.35 -0.06 0.87 -2.81 0.00 0.00 179.45 177.81 1j5n h LYS 79 N 0.35 0.81 -0.94 1.90 1.57 -1.40 -0.68 116.57 118.19 1j5n h LYS 79 Ca 0.10 -0.29 0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1j5n h LYS 79 Cb 0.06 -0.06 -0.11 0.00 0.08 0.00 0.00 32.23 32.20 1j5n h LYS 79 CO -0.02 0.90 -0.55 -2.13 -0.57 0.00 0.00 179.45 177.08 1j5n n ARG 80 N -4.33 -0.41 0.10 3.15 3.00 -0.98 0.60 116.66 117.78 1j5n n ARG 80 Ca -0.00 1.46 -0.03 0.00 -0.00 0.00 0.00 57.85 59.27 1j5n n ARG 80 Cb 0.34 -2.14 0.18 0.00 0.00 0.00 0.00 32.46 30.84 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 0.26 -0.84 -0.14 5.03 -1.42 -2.88 116.97 116.99 1j5n h TYR 81 Ca 0.15 -0.08 0.24 0.00 2.58 0.00 0.00 58.73 61.62 1j5n h TYR 81 Cb 0.38 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.58 1j5n h TYR 81 CO -1.00 0.68 0.75 1.49 -1.32 0.00 0.00 178.16 178.75 1j5n h GLU 82 N 0.17 0.00 -0.20 1.82 4.81 0.18 0.80 114.58 122.15 1j5n h GLU 82 Ca 0.01 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1j5n h GLU 82 Cb 0.95 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1j5n h GLU 82 CO 0.08 0.00 -0.39 1.03 -0.73 0.00 0.00 179.01 179.00 1j5n h SER 83 N 0.00 0.70 0.82 1.04 0.87 -1.03 -1.30 113.55 114.65 1j5n h SER 83 Ca 0.40 -0.55 -0.04 0.00 -1.23 0.00 0.00 61.79 60.38 1j5n h SER 83 Cb 1.89 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 63.65 1j5n h SER 83 CO -0.00 1.11 -0.17 -0.08 -0.53 0.00 0.00 176.83 177.16 1j5n h GLU 84 N 0.31 0.00 0.22 2.24 4.57 0.39 -2.40 114.58 119.91 1j5n h GLU 84 Ca 0.01 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.86 1j5n h GLU 84 Cb 0.99 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.61 1j5n h GLU 84 CO 0.09 0.17 -1.52 1.57 -1.18 0.00 0.00 179.01 178.14 1j5n h LYS 85 N 0.00 0.46 -0.58 1.92 2.10 -0.92 -0.26 116.57 119.29 1j5n h LYS 85 Ca -0.00 -0.78 -0.02 0.00 -2.00 0.00 0.00 60.65 57.85 1j5n h LYS 85 Cb 0.63 0.29 -0.03 0.00 -0.90 0.00 0.00 32.23 32.22 1j5n h LYS 85 CO 0.02 1.37 0.27 1.05 -2.00 0.00 0.00 179.45 180.15 1j5n h GLU 86 N 0.12 0.84 -0.19 0.07 4.11 -1.08 -2.48 114.58 115.97 1j5n h GLU 86 Ca -0.26 -0.13 -0.11 0.00 0.07 0.00 0.00 59.36 58.93 1j5n h GLU 86 Cb 2.12 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 31.23 1j5n h GLU 86 CO 0.24 0.69 -0.30 1.37 0.07 0.00 0.00 179.01 181.08 1j5n h LEU 87 N 0.78 0.59 -0.35 3.06 8.10 -1.53 -2.44 115.31 123.53 1j5n h LEU 87 Ca 0.20 -0.53 0.03 0.00 0.11 0.00 0.00 57.88 57.69 1j5n h LEU 87 Cb 0.14 -0.17 -0.04 0.00 -0.44 0.00 0.00 40.66 40.15 1j5n h LEU 87 CO -0.02 1.01 -0.21 0.00 -4.11 0.00 0.00 178.44 175.11 1j5n n TYR 88 N -4.35 -0.15 -0.35 0.17 9.36 -0.11 0.26 117.16 121.99 1j5n n TYR 88 Ca -0.06 0.43 0.03 0.00 3.32 0.00 0.00 57.90 61.63 1j5n n TYR 88 Cb 0.47 -0.45 0.18 0.00 -0.63 0.00 0.00 39.34 38.91 1j5n n TYR 88 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1j5n h ASN 89 N 0.00 0.94 0.00 2.98 2.35 -1.47 -0.99 115.58 119.39 1j5n h ASN 89 Ca 0.06 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1j5n h ASN 89 Cb 0.14 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1j5n h ASN 89 CO -0.33 0.58 0.00 0.00 -1.65 0.00 0.00 177.43 176.03 1j5n n ALA 90 N -2.36 0.00 -0.25 -0.83 0.00 0.71 -1.07 120.51 116.72 1j5n n ALA 90 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.54 1j5n n ALA 90 Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.64 1j5n n ALA 90 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1j5n n THR 91 N 0.00 -0.38 -0.18 0.00 -1.04 0.28 0.14 114.28 113.10 1j5n n THR 91 Ca 0.00 1.47 -0.06 0.00 -2.04 0.00 0.00 64.05 63.43 1j5n n THR 91 Cb 0.00 -1.86 0.04 0.00 -1.82 0.00 0.00 70.33 66.69 1j5n n THR 91 CO 0.00 0.00 0.00 0.17 -0.64 0.00 0.00 175.07 174.60 1j5n h LEU 92 N 0.00 0.52 -1.49 -4.42 8.10 -1.20 -3.50 115.31 113.32 1j5n h LEU 92 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.13 1j5n h LEU 92 Cb 0.29 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 40.40 1j5n h LEU 92 CO -0.59 0.37 0.00 0.00 -4.11 0.00 0.00 178.44 174.11