#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n n LYS 2 N 0.00 0.00 0.27 0.03 4.01 -1.26 -4.76 118.16 116.45 3i1n n LYS 2 Ca 0.00 0.00 0.17 0.00 -0.51 0.00 0.00 58.31 57.97 3i1n n LYS 2 Cb 0.00 0.00 0.66 0.00 -0.51 0.00 0.00 35.03 35.18 3i1n n LYS 2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i1n h ALA 3 N 0.00 1.00 0.10 7.82 0.00 -2.02 -0.97 119.26 125.19 3i1n h ALA 3 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1n h ALA 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i1n h ALA 3 CO 0.00 0.00 -0.05 -0.22 0.00 0.00 0.00 179.25 178.98 3i1n h LYS 4 N 0.00 -0.13 0.24 0.00 3.64 -1.94 -3.36 116.57 115.03 3i1n h LYS 4 Ca 0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3i1n h LYS 4 Cb 0.52 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3i1n h LYS 4 CO 0.00 0.38 -0.12 0.93 -2.27 0.00 0.00 179.45 178.37 3i1n h GLU 5 N -0.79 -0.31 -5.90 1.90 5.08 -1.84 -3.42 114.58 109.29 3i1n h GLU 5 Ca -0.01 0.02 -0.81 0.00 -1.00 0.00 0.00 59.36 57.56 3i1n h GLU 5 Cb 0.57 0.07 0.03 0.00 0.50 0.00 0.00 28.75 29.93 3i1n h GLU 5 CO 0.02 0.00 0.29 -0.11 -1.00 0.00 0.00 179.01 178.21 3i1n n LEU 6 N -5.09 0.43 -2.73 1.33 7.94 -0.38 -1.42 117.00 117.08 3i1n n LEU 6 Ca -0.09 1.15 -0.07 0.00 -1.11 0.00 0.00 56.01 55.89 3i1n n LEU 6 Cb 0.24 -0.89 0.01 0.00 0.53 0.00 0.00 43.42 43.31 3i1n n LEU 6 CO 0.31 -1.49 0.07 -1.14 -1.11 0.00 0.00 177.39 174.03 3i1n n ARG 7 N 2.38 -2.07 -0.48 1.96 3.00 -1.26 -4.87 116.66 115.32 3i1n n ARG 7 Ca 0.24 1.92 0.00 0.00 -0.00 0.00 0.00 57.85 60.01 3i1n n ARG 7 Cb 0.03 -5.28 0.00 0.00 0.00 0.00 0.00 32.46 27.21 3i1n n ARG 7 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3i1n n GLU 8 N -0.44 0.00 0.00 -0.14 4.07 -0.51 -4.98 120.64 118.64 3i1n n GLU 8 Ca 0.10 -0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.20 3i1n n GLU 8 Cb 0.42 -0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.80 3i1n n GLU 8 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3i1n n LYS 9 N 0.00 0.00 0.00 5.31 3.00 -1.26 -4.09 118.16 121.11 3i1n n LYS 9 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.44 3i1n n LYS 9 Cb 0.50 0.00 0.44 0.00 0.00 0.00 0.00 35.03 35.97 3i1n n LYS 9 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 3i1n n SER 10 N -0.92 0.58 -0.13 3.14 7.64 -1.26 -1.93 113.62 120.73 3i1n n SER 10 Ca 0.00 -0.44 -0.28 0.00 1.01 0.00 0.00 58.87 59.16 3i1n n SER 10 Cb 0.00 0.03 -0.10 0.00 -1.01 0.00 0.00 64.21 63.13 3i1n n SER 10 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3i1n n VAL 11 N -1.09 1.53 -0.15 0.44 0.31 -1.26 -3.61 118.33 114.49 3i1n n VAL 11 Ca 0.10 -0.38 -0.07 0.00 -0.01 0.00 0.00 64.34 63.97 3i1n n VAL 11 Cb 0.32 -1.84 -0.02 0.00 -0.91 0.00 0.00 33.84 31.40 3i1n n VAL 11 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3i1n h GLU 12 N -0.87 -0.23 -0.30 5.55 4.39 -1.77 -2.25 114.58 119.10 3i1n h GLU 12 Ca -0.66 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 58.98 3i1n h GLU 12 Cb 1.63 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 30.32 3i1n h GLU 12 CO -0.37 -0.16 -0.11 1.49 -1.16 0.00 0.00 179.01 178.71 3i1n h GLU 13 N -0.24 0.50 0.00 2.33 4.81 -1.53 0.15 114.58 120.60 3i1n h GLU 13 Ca 0.18 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3i1n h GLU 13 Cb 0.56 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3i1n h GLU 13 CO -0.60 0.62 0.00 1.25 -0.73 0.00 0.00 179.01 179.55 3i1n h LEU 14 N 0.47 0.00 0.08 1.64 7.12 -1.47 -2.21 115.31 120.93 3i1n h LEU 14 Ca 0.09 0.00 -0.32 0.00 0.13 0.00 0.00 57.88 57.78 3i1n h LEU 14 Cb 0.48 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.58 3i1n h LEU 14 CO 0.03 0.00 -1.76 0.59 -0.13 0.00 0.00 178.44 177.16 3i1n n ASN 15 N -2.49 2.03 -0.01 1.25 5.03 0.52 -1.78 115.26 119.81 3i1n n ASN 15 Ca -0.02 0.28 -0.10 0.00 0.87 0.00 0.00 54.58 55.62 3i1n n ASN 15 Cb 0.05 -0.89 -0.04 0.00 -1.02 0.00 0.00 39.78 37.87 3i1n n ASN 15 CO 0.00 0.00 0.00 0.74 -1.83 0.00 0.00 177.26 176.17 3i1n h THR 16 N -0.34 0.86 -0.13 3.41 2.02 -1.46 0.16 112.91 117.43 3i1n h THR 16 Ca -0.41 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.78 3i1n h THR 16 Cb 1.76 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 3i1n h THR 16 CO -0.03 0.00 -0.08 1.21 0.37 0.00 0.00 175.52 176.99 3i1n n GLU 17 N -5.17 -0.06 -0.12 6.66 4.07 -0.85 0.16 120.64 125.34 3i1n n GLU 17 Ca -0.04 1.01 0.09 0.00 -0.06 0.00 0.00 57.16 58.16 3i1n n GLU 17 Cb 0.10 -1.51 0.44 0.00 -0.06 0.00 0.00 31.44 30.41 3i1n n GLU 17 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3i1n h LEU 18 N 0.00 0.49 -0.13 4.31 7.12 -1.00 -1.85 115.31 124.25 3i1n h LEU 18 Ca 0.02 0.01 -0.13 0.00 0.13 0.00 0.00 57.88 57.90 3i1n h LEU 18 Cb 0.06 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.09 3i1n h LEU 18 CO -0.13 0.31 -0.44 -0.07 -0.13 0.00 0.00 178.44 177.98 3i1n h LEU 19 N 0.55 0.62 -0.03 2.25 4.07 0.15 0.30 115.31 123.21 3i1n h LEU 19 Ca 0.29 -0.61 0.00 0.00 0.08 0.00 0.00 57.88 57.64 3i1n h LEU 19 Cb 0.40 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 3i1n h LEU 19 CO -0.09 1.12 -0.04 0.78 -1.08 0.00 0.00 178.44 179.13 3i1n h ASN 20 N 0.15 -0.14 -0.29 -0.43 -0.26 0.23 0.67 115.58 115.51 3i1n h ASN 20 Ca -0.02 0.02 0.05 0.00 -0.56 0.00 0.00 56.30 55.79 3i1n h ASN 20 Cb 1.07 0.06 -0.08 0.00 -1.06 0.00 0.00 38.32 38.31 3i1n h ASN 20 CO 0.09 -0.03 -0.53 -0.07 -1.06 0.00 0.00 177.43 175.84 3i1n h LEU 21 N -0.03 -1.73 0.00 1.61 3.38 -1.53 0.43 115.31 117.44 3i1n h LEU 21 Ca 0.01 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3i1n h LEU 21 Cb 0.04 0.70 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3i1n h LEU 21 CO -0.04 -0.43 0.00 -0.11 0.09 0.00 0.00 178.44 177.94 3i1n n LEU 22 N -5.41 0.00 0.00 1.67 7.94 0.10 -1.90 117.00 119.41 3i1n n LEU 22 Ca -0.04 0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 3i1n n LEU 22 Cb 0.36 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.31 3i1n n LEU 22 CO 0.05 0.00 0.00 0.54 -1.11 0.00 0.00 177.39 176.87 3i1n n ARG 23 N -0.12 0.00 0.00 1.96 5.12 0.23 -3.51 116.66 120.34 3i1n n ARG 23 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i1n n ARG 23 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3i1n n ARG 23 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3i1n n GLU 24 N 0.00 0.00 0.00 5.56 -0.58 -1.03 -1.25 120.64 123.34 3i1n n GLU 24 Ca 0.00 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 3i1n n GLU 24 Cb 0.00 -0.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 3i1n n GLU 24 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 3i1n n GLN 25 N -0.98 0.00 -0.09 3.49 7.27 0.15 -0.30 117.38 126.92 3i1n n GLN 25 Ca 0.00 0.14 -0.18 0.00 0.07 0.00 0.00 57.00 57.03 3i1n n GLN 25 Cb 0.00 -1.50 -0.06 0.00 2.41 0.00 0.00 30.24 31.09 3i1n n GLN 25 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3i1n n PHE 26 N -1.14 0.00 -0.05 3.69 -0.00 -0.38 -4.24 117.46 115.33 3i1n n PHE 26 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.33 3i1n n PHE 26 Cb 0.00 -0.62 -0.06 0.00 -0.00 0.00 0.00 39.48 38.81 3i1n n PHE 26 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 3i1n h ASN 27 N -0.62 0.28 -0.69 -2.13 -0.26 -0.84 0.21 115.58 111.53 3i1n h ASN 27 Ca -0.44 -0.32 0.14 0.00 -0.56 0.00 0.00 56.30 55.12 3i1n h ASN 27 Cb 1.38 -0.08 -0.13 0.00 -1.06 0.00 0.00 38.32 38.43 3i1n h ASN 27 CO -0.26 0.53 -0.18 -0.07 -1.06 0.00 0.00 177.43 176.39 3i1n h LEU 28 N 0.03 -0.66 0.49 1.61 3.38 -0.87 0.99 115.31 120.27 3i1n h LEU 28 Ca 0.05 0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 3i1n h LEU 28 Cb 0.39 0.44 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3i1n h LEU 28 CO 0.01 -0.23 -0.30 -0.09 0.09 0.00 0.00 178.44 177.91 3i1n h ARG 29 N -0.01 -0.73 -0.49 1.13 2.43 -1.58 0.36 114.38 115.50 3i1n h ARG 29 Ca 0.33 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.64 3i1n h ARG 29 Cb 0.51 0.17 -0.08 0.00 -0.42 0.00 0.00 29.97 30.15 3i1n h ARG 29 CO -0.71 -0.49 0.04 0.52 -1.51 0.00 0.00 179.97 177.82 3i1n h MET 30 N -0.76 0.15 0.04 0.20 2.86 0.39 0.47 114.93 118.28 3i1n h MET 30 Ca -0.06 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3i1n h MET 30 Cb 0.62 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.25 3i1n h MET 30 CO 0.05 0.10 -0.02 0.37 1.06 0.00 0.00 176.91 178.48 3i1n h GLN 31 N 0.16 -0.05 -0.38 1.72 4.15 0.12 -2.41 115.11 118.42 3i1n h GLN 31 Ca 0.24 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.62 3i1n h GLN 31 Cb 0.35 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 3i1n h GLN 31 CO -0.37 0.09 0.06 0.00 -1.93 0.00 0.00 178.83 176.69 3i1n h ALA 32 N 0.78 0.50 0.00 3.38 0.00 0.15 -1.59 119.26 122.48 3i1n h ALA 32 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3i1n h ALA 32 Cb 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i1n h ALA 32 CO 0.01 0.21 -0.05 0.00 0.00 0.00 0.00 179.25 179.42 3i1n h ALA 33 N 0.92 1.05 -0.65 0.00 0.00 -0.94 -3.14 119.26 116.50 3i1n h ALA 33 Ca 0.12 -0.04 -0.38 0.00 0.00 0.00 0.00 54.91 54.60 3i1n h ALA 33 Cb 0.36 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 17.95 3i1n h ALA 33 CO 0.01 0.06 0.49 -1.13 0.00 0.00 0.00 179.25 178.68 3i1n n SER 34 N -3.22 5.08 0.00 0.00 3.41 -0.62 -4.83 113.62 113.45 3i1n n SER 34 Ca -0.01 -3.16 0.00 0.00 -0.26 0.00 0.00 58.87 55.44 3i1n n SER 34 Cb 0.26 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 3i1n n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1n n GLY 35 N -0.33 2.24 0.00 5.00 0.00 -1.18 -4.92 105.19 105.99 3i1n n GLY 35 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3i1n n GLY 35 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i1n n GLN 36 N -1.79 3.50 -2.41 1.61 6.02 -1.08 -4.98 117.38 118.24 3i1n n GLN 36 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 3i1n n GLN 36 Cb 0.00 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.25 3i1n n GLN 36 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3i1n n LEU 37 N 0.00 -6.44 -0.01 1.08 0.00 -1.25 -4.49 117.00 105.88 3i1n n LEU 37 Ca 0.00 2.74 -0.19 0.00 0.00 0.00 0.00 56.01 58.56 3i1n n LEU 37 Cb 0.00 -3.24 -0.14 0.00 0.00 0.00 0.00 43.42 40.04 3i1n n LEU 37 CO 0.00 -3.16 -0.03 1.56 0.00 0.00 0.00 177.39 175.75 3i1n h GLN 38 N 4.29 0.17 -3.96 1.96 7.50 -1.97 -3.44 115.11 119.66 3i1n h GLN 38 Ca -0.11 -0.28 -0.77 0.00 0.50 0.00 0.00 58.65 57.98 3i1n h GLN 38 Cb 0.26 0.11 -0.25 0.00 0.05 0.00 0.00 27.48 27.64 3i1n h GLN 38 CO 0.00 1.14 -0.08 1.14 -1.50 0.00 0.00 178.83 179.53 3i1n s GLN 39 N -2.37 3.25 0.33 1.46 -2.07 -1.26 -4.90 119.66 114.10 3i1n s GLN 39 Ca -0.18 -2.10 0.04 0.00 -1.82 0.00 0.00 55.36 51.30 3i1n s GLN 39 Cb 0.01 -4.33 0.58 0.00 -1.09 0.00 0.00 33.01 28.18 3i1n s GLN 39 CO 0.75 -1.30 1.86 0.66 -1.32 0.00 0.00 175.29 175.94 3i1n h SER 40 N 8.29 0.51 0.00 12.60 4.64 -1.98 -2.69 113.55 134.92 3i1n h SER 40 Ca -0.09 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3i1n h SER 40 Cb 1.07 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3i1n h SER 40 CO 0.89 0.58 0.32 0.00 -0.87 0.00 0.00 176.83 177.75 3i1n n HIS 41 N -4.27 0.14 0.00 4.77 1.44 -1.26 -1.49 115.22 114.56 3i1n n HIS 41 Ca 0.01 0.07 0.00 0.00 -2.01 0.00 0.00 57.72 55.80 3i1n n HIS 41 Cb 0.25 -0.35 0.00 0.00 0.12 0.00 0.00 29.99 30.01 3i1n n HIS 41 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3i1n n LEU 42 N -1.54 0.33 0.00 2.39 4.32 -1.01 -3.64 117.00 117.85 3i1n n LEU 42 Ca -0.00 0.65 0.00 0.00 -0.02 0.00 0.00 56.01 56.64 3i1n n LEU 42 Cb 0.32 -0.27 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 3i1n n LEU 42 CO 0.02 -0.27 0.00 0.18 -1.22 0.00 0.00 177.39 176.09 3i1n n LEU 43 N -1.32 0.00 -0.00 2.23 4.77 -0.55 -1.75 117.00 120.38 3i1n n LEU 43 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i1n n LEU 43 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i1n n LEU 43 CO 0.00 0.00 0.50 0.50 -1.33 0.00 0.00 177.39 177.06 3i1n h LYS 44 N 0.00 -0.01 -7.26 3.23 1.63 -1.68 -2.06 116.57 110.42 3i1n h LYS 44 Ca 0.00 0.00 -0.50 0.00 -0.85 0.00 0.00 60.65 59.30 3i1n h LYS 44 Cb 0.00 0.00 0.18 0.00 -0.60 0.00 0.00 32.23 31.81 3i1n h LYS 44 CO 0.00 -0.01 0.20 1.14 -3.45 0.00 0.00 179.45 177.34 3i1n s GLN 45 N -3.04 0.90 0.00 1.90 -2.07 -0.72 -0.55 119.66 116.08 3i1n s GLN 45 Ca -0.00 1.27 0.00 0.00 -1.82 0.00 0.00 55.36 54.81 3i1n s GLN 45 Cb 0.00 -1.73 0.00 0.00 -1.09 0.00 0.00 33.01 30.19 3i1n s GLN 45 CO 0.01 -2.62 0.00 0.28 -1.32 0.00 0.00 175.29 171.64 3i1n n VAL 46 N -4.20 0.00 -0.31 3.63 0.31 -1.26 -4.32 118.33 112.17 3i1n n VAL 46 Ca 0.09 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.53 3i1n n VAL 46 Cb 0.53 0.00 0.23 0.00 -0.91 0.00 0.00 33.84 33.69 3i1n n VAL 46 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3i1n h ARG 47 N 0.00 0.05 0.12 5.55 2.43 -1.05 0.38 114.38 121.86 3i1n h ARG 47 Ca 0.00 -0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.88 3i1n h ARG 47 Cb 0.00 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 29.56 3i1n h ARG 47 CO 0.00 0.03 -1.23 0.00 -1.51 0.00 0.00 179.97 177.26 3i1n h ARG 48 N 0.05 0.53 0.18 0.20 2.47 -1.02 -2.98 114.38 113.81 3i1n h ARG 48 Ca 0.52 -0.73 -0.01 0.00 -1.26 0.00 0.00 59.98 58.50 3i1n h ARG 48 Cb 1.01 0.25 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 3i1n h ARG 48 CO -0.84 1.33 -0.08 -0.44 0.56 0.00 0.00 179.97 180.49 3i1n h ASP 49 N 0.22 -0.20 -0.86 7.04 3.45 -1.57 -2.22 116.42 122.29 3i1n h ASP 49 Ca -0.17 -0.05 0.20 0.00 0.43 0.00 0.00 57.03 57.43 3i1n h ASP 49 Cb 1.91 0.05 -0.16 0.00 -0.56 0.00 0.00 39.33 40.57 3i1n h ASP 49 CO 0.23 -0.08 -0.07 0.58 -1.57 0.00 0.00 179.24 178.34 3i1n h VAL 50 N -0.31 0.17 -0.53 -1.35 2.07 -0.38 -0.11 116.25 115.83 3i1n h VAL 50 Ca -0.02 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.58 3i1n h VAL 50 Cb 0.24 0.13 -0.08 0.00 -1.52 0.00 0.00 31.29 30.06 3i1n h VAL 50 CO 0.04 0.01 0.03 0.00 0.02 0.00 0.00 177.57 177.67 3i1n h ALA 51 N 1.84 0.53 -0.26 1.67 0.00 -1.24 -0.45 119.26 121.35 3i1n h ALA 51 Ca 0.47 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.50 3i1n h ALA 51 Cb 0.84 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3i1n h ALA 51 CO -0.82 -0.37 0.05 0.00 0.00 0.00 0.00 179.25 178.12 3i1n h ARG 52 N 0.15 0.42 -0.92 0.00 3.08 -0.80 0.46 114.38 116.77 3i1n h ARG 52 Ca 0.27 -0.11 0.19 0.00 0.07 0.00 0.00 59.98 60.40 3i1n h ARG 52 Cb 0.40 -0.05 -0.08 0.00 0.08 0.00 0.00 29.97 30.33 3i1n h ARG 52 CO -0.42 0.53 0.60 0.28 -1.07 0.00 0.00 179.97 179.89 3i1n h VAL 53 N 0.24 0.72 0.10 2.04 2.07 -0.15 0.30 116.25 121.57 3i1n h VAL 53 Ca 0.08 -0.19 -0.29 0.00 0.82 0.00 0.00 66.70 67.12 3i1n h VAL 53 Cb 0.30 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 3i1n h VAL 53 CO 0.00 0.10 -1.47 0.11 0.02 0.00 0.00 177.57 176.33 3i1n h LYS 54 N 0.55 0.20 0.46 1.57 1.57 -0.92 -3.36 116.57 116.64 3i1n h LYS 54 Ca 0.49 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3i1n h LYS 54 Cb 1.01 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3i1n h LYS 54 CO -0.22 1.05 -0.22 1.15 -0.57 0.00 0.00 179.45 180.64 3i1n h THR 55 N 0.06 0.54 -3.94 -0.16 2.02 0.11 -2.13 112.91 109.41 3i1n h THR 55 Ca -0.22 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.43 3i1n h THR 55 Cb 1.99 0.54 0.09 0.00 -1.74 0.00 0.00 68.15 69.03 3i1n h THR 55 CO 0.15 0.00 0.67 -0.76 0.37 0.00 0.00 175.52 175.95 3i1n s LEU 56 N -10.10 4.27 0.00 2.58 1.02 0.84 -2.46 118.68 114.83 3i1n s LEU 56 Ca -0.16 2.78 0.00 0.00 0.02 0.00 0.00 54.13 56.77 3i1n s LEU 56 Cb 0.04 -3.80 0.00 0.00 0.02 0.00 0.00 46.19 42.45 3i1n s LEU 56 CO 0.63 -0.83 0.00 -0.11 0.02 0.00 0.00 176.35 176.06 3i1n n LEU 57 N 0.31 0.00 -1.87 1.79 7.94 -1.26 -4.58 117.00 119.33 3i1n n LEU 57 Ca 0.02 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 55.00 3i1n n LEU 57 Cb 0.42 0.00 0.40 0.00 0.53 0.00 0.00 43.42 44.77 3i1n n LEU 57 CO 0.59 0.00 0.87 -3.20 -1.11 0.00 0.00 177.39 174.54 3i1n n ASN 58 N 0.41 5.70 0.00 1.96 5.15 -0.80 -2.13 115.26 125.54 3i1n n ASN 58 Ca 0.00 -2.92 0.00 0.00 -0.60 0.00 0.00 54.58 51.06 3i1n n ASN 58 Cb 0.00 -0.68 0.00 0.00 -0.53 0.00 0.00 39.78 38.57 3i1n n ASN 58 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 3i1n n GLU 59 N 0.61 4.54 0.01 1.20 -0.00 -1.03 -4.81 120.64 121.17 3i1n n GLU 59 Ca 0.28 0.00 -0.18 0.00 -0.00 0.00 0.00 57.16 57.26 3i1n n GLU 59 Cb 1.19 -0.42 -0.12 0.00 -0.00 0.00 0.00 31.44 32.09 3i1n n GLU 59 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 3i1n h LYS 60 N 0.00 0.35 -6.66 3.44 3.64 -1.79 -3.35 116.57 112.20 3i1n h LYS 60 Ca 0.00 -0.44 -0.46 0.00 -1.27 0.00 0.00 60.65 58.48 3i1n h LYS 60 Cb 0.00 0.14 0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3i1n h LYS 60 CO 0.00 1.13 -0.12 0.00 -2.27 0.00 0.00 179.45 178.19 3i1n s ALA 61 N -2.95 3.75 0.00 5.00 0.00 -0.90 -4.24 121.76 122.41 3i1n s ALA 61 Ca -0.14 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.80 3i1n s ALA 61 Cb 0.02 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 21.01 3i1n s ALA 61 CO 0.82 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.70 3i1n n GLY 62 N -2.01 1.64 0.00 0.00 0.00 -1.26 -4.56 105.19 99.01 3i1n n GLY 62 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i1n n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32