#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p h LEU 3 N 0.00 0.00 0.00 6.15 8.10 -2.10 -3.43 115.31 124.03 3i1p h LEU 3 Ca 0.00 -0.37 0.00 0.00 0.11 0.00 0.00 57.88 57.62 3i1p h LEU 3 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 3i1p h LEU 3 CO 0.00 1.09 0.00 -3.20 -4.11 0.00 0.00 178.44 172.22 3i1p n ASN 4 N -4.55 0.00 -3.50 0.17 4.05 -1.26 -1.74 115.26 108.43 3i1p n ASN 4 Ca -0.18 0.00 -0.38 0.00 0.45 0.00 0.00 54.58 54.48 3i1p n ASN 4 Cb 0.45 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 41.41 3i1p n ASN 4 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 3i1p n THR 5 N 0.00 1.79 -3.48 -0.44 -2.24 -1.26 -4.77 114.28 103.88 3i1p n THR 5 Ca 0.00 -1.42 -0.17 0.00 -2.27 0.00 0.00 64.05 60.19 3i1p n THR 5 Cb 0.00 -2.24 -0.12 0.00 -2.10 0.00 0.00 70.33 65.87 3i1p n THR 5 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3i1p s LEU 6 N 0.83 -0.17 0.28 3.22 0.20 -0.71 -5.15 118.68 117.18 3i1p s LEU 6 Ca 0.52 -0.16 0.06 0.00 0.69 0.00 0.00 54.13 55.25 3i1p s LEU 6 Cb 0.13 0.47 -0.06 0.00 -0.43 0.00 0.00 46.19 46.31 3i1p s LEU 6 CO 0.09 -0.32 -0.06 -0.94 -0.29 0.00 0.00 176.35 174.84 3i1p s SER 7 N 2.35 2.71 0.71 3.68 1.04 -1.26 -5.15 113.70 117.79 3i1p s SER 7 Ca 0.08 -1.19 -0.09 0.00 0.48 0.00 0.00 55.95 55.22 3i1p s SER 7 Cb -0.16 -0.16 0.04 0.00 0.10 0.00 0.00 66.02 65.85 3i1p s SER 7 CO -0.12 -0.35 1.06 -2.16 0.98 0.00 0.00 173.24 172.65 3i1p s PRO 8 N -3.73 2.43 1.05 4.02 0.04 -1.26 -5.03 135.00 132.52 3i1p s PRO 8 Ca 0.29 0.08 -0.21 0.00 0.04 0.00 0.00 61.00 61.21 3i1p s PRO 8 Cb 0.04 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 3i1p s PRO 8 CO 0.12 -1.19 -0.51 0.00 0.04 0.00 0.00 177.00 175.46 3i1p n ALA 9 N -3.00 -4.61 -2.43 8.56 0.00 -1.26 -4.91 120.51 112.86 3i1p n ALA 9 Ca 0.07 -1.18 -0.39 0.00 0.00 0.00 0.00 53.44 51.94 3i1p n ALA 9 Cb 0.59 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.69 3i1p n ALA 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3i1p s GLU 10 N -2.89 4.38 -1.71 0.00 2.12 -1.26 -3.72 118.70 115.63 3i1p s GLU 10 Ca 0.48 0.86 0.00 0.00 0.36 0.00 0.00 54.97 56.68 3i1p s GLU 10 Cb -0.07 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 30.98 3i1p s GLU 10 CO 0.68 0.36 0.00 0.41 -0.54 0.00 0.00 175.26 176.17 3i1p n GLY 11 N 2.37 1.49 0.12 -1.50 0.00 -1.26 -4.78 105.19 101.62 3i1p n GLY 11 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3i1p n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i1p h SER 12 N 0.00 0.00 -2.95 1.61 4.64 -1.93 -3.43 113.55 111.49 3i1p h SER 12 Ca -0.33 -0.04 -0.63 0.00 -0.47 0.00 0.00 61.79 60.32 3i1p h SER 12 Cb 1.06 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.99 3i1p h SER 12 CO 0.48 0.02 -0.77 -0.54 -0.87 0.00 0.00 176.83 175.16 3i1p s LYS 13 N -3.14 1.79 -0.22 4.77 -0.14 -1.26 -5.04 119.74 116.51 3i1p s LYS 13 Ca 0.09 -1.45 0.23 0.00 -1.36 0.00 0.00 55.97 53.48 3i1p s LYS 13 Cb 0.11 -1.98 0.49 0.00 -1.68 0.00 0.00 37.83 34.78 3i1p s LYS 13 CO 0.64 0.40 1.12 1.63 -0.76 0.00 0.00 175.35 178.38 3i1p n LYS 14 N 0.01 1.53 -0.02 1.68 4.76 -1.26 -5.10 118.16 119.75 3i1p n LYS 14 Ca -0.11 -3.29 0.00 0.00 -2.87 0.00 0.00 58.31 52.04 3i1p n LYS 14 Cb 0.56 -1.38 -0.00 0.00 -1.84 0.00 0.00 35.03 32.37 3i1p n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i1p n ALA 15 N -0.43 -0.08 -3.55 7.82 0.00 -1.26 -4.81 120.51 118.20 3i1p n ALA 15 Ca 0.08 0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.29 3i1p n ALA 15 Cb 0.86 -0.03 -0.17 0.00 0.00 0.00 0.00 19.45 20.12 3i1p n ALA 15 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i1p s GLY 16 N -4.46 0.71 -0.33 0.00 0.00 -1.26 -5.09 107.32 96.90 3i1p s GLY 16 Ca 0.00 -0.34 -0.40 0.00 0.00 0.00 0.00 44.72 43.98 3i1p s GLY 16 CO 0.00 0.28 1.82 0.58 0.00 0.00 0.00 173.10 175.78 3i1p n LYS 17 N 4.00 0.97 0.02 2.90 2.85 -1.26 -4.88 118.16 122.76 3i1p n LYS 17 Ca -0.22 0.34 -0.01 0.00 -1.05 0.00 0.00 58.31 57.37 3i1p n LYS 17 Cb 0.51 -2.06 -0.01 0.00 -0.65 0.00 0.00 35.03 32.83 3i1p n LYS 17 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i1p h ARG 18 N 7.79 -0.09 -2.77 -1.58 2.47 -1.99 -3.50 114.38 114.70 3i1p h ARG 18 Ca -0.41 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 3i1p h ARG 18 Cb 1.33 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.67 3i1p h ARG 18 CO 0.98 -0.06 -0.60 -0.11 0.56 0.00 0.00 179.97 180.74 3i1p n LEU 19 N -3.22 -4.72 -2.19 3.04 7.94 -1.26 -4.89 117.00 111.70 3i1p n LEU 19 Ca -0.01 2.06 -0.06 0.00 -1.11 0.00 0.00 56.01 56.89 3i1p n LEU 19 Cb 0.04 -1.88 0.03 0.00 0.53 0.00 0.00 43.42 42.14 3i1p n LEU 19 CO 0.03 -0.66 0.01 0.61 -1.11 0.00 0.00 177.39 176.27 3i1p n GLY 20 N 0.52 0.08 3.15 -3.96 0.00 -1.26 -4.89 105.19 98.84 3i1p n GLY 20 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.12 3i1p n GLY 20 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i1p s ARG 21 N -3.62 0.22 0.00 1.61 1.70 -1.26 -4.73 118.95 112.88 3i1p s ARG 21 Ca 0.17 0.39 0.00 0.00 -0.47 0.00 0.00 55.73 55.82 3i1p s ARG 21 Cb -0.02 0.21 0.00 0.00 -0.57 0.00 0.00 34.95 34.57 3i1p s ARG 21 CO 0.30 -0.25 0.00 0.41 -1.08 0.00 0.00 175.30 174.67 3i1p n GLY 22 N 5.45 0.14 0.12 3.88 0.00 -1.26 -4.54 105.19 108.99 3i1p n GLY 22 Ca -0.06 -1.99 -0.11 0.00 0.00 0.00 0.00 46.02 43.87 3i1p n GLY 22 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i1p n ILE 23 N -0.06 0.82 0.23 -0.61 -0.00 -1.26 -3.73 119.36 114.74 3i1p n ILE 23 Ca 0.00 -0.30 0.11 0.00 -0.00 0.00 0.00 62.75 62.56 3i1p n ILE 23 Cb 0.00 -1.08 0.44 0.00 -0.00 0.00 0.00 39.64 39.00 3i1p n ILE 23 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 3i1p h GLY 24 N 0.92 0.00 1.73 7.39 0.00 -2.01 -3.03 103.07 108.07 3i1p h GLY 24 Ca -0.33 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.01 3i1p h GLY 24 CO -0.07 0.00 0.12 1.48 0.00 0.00 0.00 176.54 178.07 3i1p h SER 25 N 0.00 0.00 0.00 0.19 4.64 -1.80 -3.46 113.55 113.12 3i1p h SER 25 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i1p h SER 25 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3i1p h SER 25 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 3i1p n GLY 26 N -1.21 0.60 0.00 -0.77 0.00 -1.15 -4.80 105.19 97.87 3i1p n GLY 26 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3i1p n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1p n LEU 27 N 0.00 0.00 -4.06 0.99 4.77 -1.26 -4.99 117.00 112.44 3i1p n LEU 27 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 3i1p n LEU 27 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 3i1p n LEU 27 CO 0.00 0.00 -1.16 0.61 -1.33 0.00 0.00 177.39 175.51 3i1p n GLY 28 N 0.14 -4.31 2.77 -0.72 0.00 -1.24 -4.00 105.19 97.83 3i1p n GLY 28 Ca 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 46.02 45.23 3i1p n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1p n LYS 29 N 1.99 -3.38 -1.52 1.61 4.81 -1.26 -4.80 118.16 115.60 3i1p n LYS 29 Ca -0.01 2.68 0.00 0.00 -0.87 0.00 0.00 58.31 60.12 3i1p n LYS 29 Cb 0.55 -4.15 0.00 0.00 0.02 0.00 0.00 35.03 31.45 3i1p n LYS 29 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3i1p n THR 30 N 1.49 -8.68 -2.19 3.15 -2.24 -1.26 -4.74 114.28 99.81 3i1p n THR 30 Ca -0.20 1.94 -0.39 0.00 -2.27 0.00 0.00 64.05 63.13 3i1p n THR 30 Cb 0.35 -4.29 -0.02 0.00 -2.10 0.00 0.00 70.33 64.27 3i1p n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1p n GLY 31 N 1.08 2.44 3.99 3.38 0.00 -1.26 -4.23 105.19 110.59 3i1p n GLY 31 Ca 0.00 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 3i1p n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1p n GLY 32 N 5.23 -0.42 0.00 -0.02 0.00 -1.26 -4.86 105.19 103.86 3i1p n GLY 32 Ca 0.48 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.74 3i1p n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1p n ARG 33 N -4.48 1.75 0.00 1.61 1.74 -1.26 -5.13 116.66 110.88 3i1p n ARG 33 Ca -0.25 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.83 3i1p n ARG 33 Cb 0.66 -0.99 0.00 0.00 -1.02 0.00 0.00 32.46 31.10 3i1p n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i1p n GLY 34 N 2.68 -0.11 3.35 -0.13 0.00 -1.26 -4.84 105.19 104.88 3i1p n GLY 34 Ca 0.00 -1.30 -0.23 0.00 0.00 0.00 0.00 46.02 44.49 3i1p n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i1p s HIS 35 N 0.00 1.92 0.00 1.61 0.09 -1.26 -4.88 115.29 112.77 3i1p s HIS 35 Ca 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 55.06 54.62 3i1p s HIS 35 Cb 0.00 -0.96 0.00 0.00 -0.00 0.00 0.00 32.58 31.62 3i1p s HIS 35 CO 0.00 0.36 0.00 1.63 -0.00 0.00 0.00 174.74 176.73 3i1p n LYS 36 N 0.35 0.00 -0.27 1.40 5.02 -1.26 -4.98 118.16 118.42 3i1p n LYS 36 Ca -0.14 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.19 3i1p n LYS 36 Cb 0.57 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.56 3i1p n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1p n GLY 37 N 0.00 -1.61 0.09 0.72 0.00 -1.26 -4.37 105.19 98.76 3i1p n GLY 37 Ca 0.00 -1.45 -0.03 0.00 0.00 0.00 0.00 46.02 44.53 3i1p n GLY 37 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3i1p h GLN 38 N -0.25 0.00 -1.94 1.61 4.15 -1.94 -3.37 115.11 113.36 3i1p h GLN 38 Ca -0.00 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.26 3i1p h GLN 38 Cb 0.25 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.88 3i1p h GLN 38 CO 0.00 0.44 -0.05 1.63 -1.93 0.00 0.00 178.83 178.93 3i1p n LYS 39 N -3.02 1.61 0.00 1.69 5.02 -1.26 -3.63 118.16 118.57 3i1p n LYS 39 Ca -0.10 -0.81 0.00 0.00 -2.02 0.00 0.00 58.31 55.38 3i1p n LYS 39 Cb 0.91 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 3i1p n LYS 39 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3i1p n SER 40 N 1.66 0.00 0.00 4.39 3.41 -1.26 -4.92 113.62 116.90 3i1p n SER 40 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 3i1p n SER 40 Cb 0.67 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 3i1p n SER 40 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i1p n ARG 41 N -0.22 0.00 -1.42 4.33 5.12 -1.26 -4.34 116.66 118.87 3i1p n ARG 41 Ca 0.00 0.00 -0.52 0.00 -1.93 0.00 0.00 57.85 55.40 3i1p n ARG 41 Cb 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.22 3i1p n ARG 41 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3i1p n SER 42 N 0.21 1.90 -2.19 0.55 2.88 -1.26 -1.56 113.62 114.15 3i1p n SER 42 Ca 0.00 0.48 -0.02 0.00 -1.33 0.00 0.00 58.87 58.00 3i1p n SER 42 Cb 0.00 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.27 3i1p n SER 42 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i1p n GLY 43 N 6.65 -2.46 3.07 0.46 0.00 -1.26 -5.08 105.19 106.57 3i1p n GLY 43 Ca 0.43 0.37 -0.07 0.00 0.00 0.00 0.00 46.02 46.75 3i1p n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i1p s GLY 44 N -1.34 -0.46 0.00 -0.02 0.00 -0.60 -5.04 107.32 99.86 3i1p s GLY 44 Ca 0.06 1.23 0.00 0.00 0.00 0.00 0.00 44.72 46.02 3i1p s GLY 44 CO 0.42 2.66 0.00 0.61 0.00 0.00 0.00 173.10 176.79 3i1p n GLY 45 N 5.38 4.10 2.48 0.20 0.00 -1.24 -4.40 105.19 111.71 3i1p n GLY 45 Ca -0.05 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 3i1p n GLY 45 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i1p n VAL 46 N -1.17 0.00 -3.54 1.61 0.24 -1.26 -5.02 118.33 109.19 3i1p n VAL 46 Ca 0.00 -0.16 -0.27 0.00 -2.04 0.00 0.00 64.34 61.87 3i1p n VAL 46 Cb 0.00 -0.93 -0.03 0.00 -1.47 0.00 0.00 33.84 31.41 3i1p n VAL 46 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1p s ARG 47 N -4.69 3.54 -0.64 7.34 1.04 -1.26 -4.98 118.95 119.30 3i1p s ARG 47 Ca 0.51 -0.26 -0.27 0.00 -1.04 0.00 0.00 55.73 54.67 3i1p s ARG 47 Cb -0.07 -2.75 -0.12 0.00 -2.04 0.00 0.00 34.95 29.97 3i1p s ARG 47 CO 0.41 0.29 2.48 2.89 -0.04 0.00 0.00 175.30 181.34 3i1p n ARG 48 N -1.02 0.74 0.00 3.89 1.85 -1.26 -1.79 116.66 119.06 3i1p n ARG 48 Ca -0.04 -0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.75 3i1p n ARG 48 Cb 0.54 -2.96 0.00 0.00 -1.05 0.00 0.00 32.46 29.00 3i1p n ARG 48 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i1p n GLY 49 N 6.17 0.40 3.85 2.89 0.00 -1.26 -5.13 105.19 112.10 3i1p n GLY 49 Ca 0.45 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.12 3i1p n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i1p s PHE 50 N -0.91 3.62 -0.10 1.61 5.99 -0.74 -4.82 117.98 122.62 3i1p s PHE 50 Ca 0.00 0.92 0.20 0.00 0.00 0.00 0.00 56.93 58.05 3i1p s PHE 50 Cb 0.00 -2.26 0.43 0.00 0.00 0.00 0.00 43.02 41.19 3i1p s PHE 50 CO 0.00 0.51 1.19 0.39 -0.00 0.00 0.00 175.22 177.31 3i1p n GLU 51 N 1.05 0.81 -0.01 10.12 1.02 -1.26 -4.93 120.64 127.43 3i1p n GLU 51 Ca -0.08 -2.64 0.00 0.00 -0.02 0.00 0.00 57.16 54.42 3i1p n GLU 51 Cb 0.52 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 31.18 3i1p n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i1p n GLY 52 N -0.19 0.39 0.00 0.62 0.00 -1.26 -3.95 105.19 100.80 3i1p n GLY 52 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3i1p n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1p n GLY 53 N -2.00 1.09 3.68 -0.02 0.00 -1.26 -5.09 105.19 101.59 3i1p n GLY 53 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 3i1p n GLY 53 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i1p n GLN 54 N 0.00 2.26 -1.16 1.61 7.27 -1.25 -4.74 117.38 121.36 3i1p n GLN 54 Ca 0.00 0.82 -0.54 0.00 0.07 0.00 0.00 57.00 57.35 3i1p n GLN 54 Cb 0.00 -2.65 -0.11 0.00 2.41 0.00 0.00 30.24 29.88 3i1p n GLN 54 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 3i1p n MET 55 N 5.55 0.00 -1.32 3.69 0.00 -1.26 -4.60 117.12 119.19 3i1p n MET 55 Ca 0.20 0.00 -0.38 0.00 -0.00 0.00 0.00 57.70 57.53 3i1p n MET 55 Cb 0.30 -1.38 0.04 0.00 0.00 0.00 0.00 33.22 32.19 3i1p n MET 55 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3i1p n PRO 56 N 6.96 0.29 -0.16 2.12 -0.02 -1.26 -4.28 135.00 138.64 3i1p n PRO 56 Ca 0.51 0.12 -0.08 0.00 -2.02 0.00 0.00 63.50 62.04 3i1p n PRO 56 Cb -0.03 -1.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.89 3i1p n PRO 56 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i1p h LEU 57 N -0.10 -1.30 -2.75 2.45 5.85 -1.87 0.53 115.31 118.12 3i1p h LEU 57 Ca -0.44 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3i1p h LEU 57 Cb 1.39 0.60 -0.00 0.00 0.37 0.00 0.00 40.66 43.02 3i1p h LEU 57 CO 0.43 -0.33 0.05 0.10 -0.34 0.00 0.00 178.44 178.34 3i1p h TYR 58 N -0.25 0.00 0.00 1.25 -0.00 -1.89 0.11 116.97 116.19 3i1p h TYR 58 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.84 3i1p h TYR 58 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.28 3i1p h TYR 58 CO -0.63 0.00 -1.31 0.54 -0.00 0.00 0.00 178.16 176.76 3i1p n ARG 59 N -3.26 0.62 -0.07 0.10 1.74 0.98 -3.95 116.66 112.82 3i1p n ARG 59 Ca -0.03 0.11 -0.14 0.00 -0.77 0.00 0.00 57.85 57.02 3i1p n ARG 59 Cb 0.12 -1.77 -0.06 0.00 -1.02 0.00 0.00 32.46 29.73 3i1p n ARG 59 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i1p h ARG 60 N 0.00 0.64 -6.24 5.56 3.08 0.23 -3.45 114.38 114.20 3i1p h ARG 60 Ca -0.07 -0.40 -0.57 0.00 0.07 0.00 0.00 59.98 59.01 3i1p h ARG 60 Cb 1.23 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.28 3i1p h ARG 60 CO 0.02 1.01 -0.09 -0.51 -1.07 0.00 0.00 179.97 179.33 3i1p s LEU 61 N -8.83 4.43 0.00 3.04 1.02 -0.51 -5.09 118.68 112.73 3i1p s LEU 61 Ca -0.12 1.12 -0.01 0.00 0.02 0.00 0.00 54.13 55.14 3i1p s LEU 61 Cb 0.08 -3.03 0.01 0.00 0.02 0.00 0.00 46.19 43.27 3i1p s LEU 61 CO 0.83 0.20 0.03 -0.81 0.02 0.00 0.00 176.35 176.62 3i1p n PRO 62 N 1.28 -0.45 -3.82 1.29 -0.04 -1.26 -4.83 135.00 127.16 3i1p n PRO 62 Ca -0.08 -0.05 -0.28 0.00 -0.04 0.00 0.00 63.50 63.04 3i1p n PRO 62 Cb 0.52 -0.04 -0.16 0.00 -0.04 0.00 0.00 33.50 33.77 3i1p n PRO 62 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3i1p s LYS 63 N -3.08 1.05 0.00 0.54 -2.85 -1.26 -4.98 119.74 109.17 3i1p s LYS 63 Ca 0.02 -0.50 0.00 0.00 -1.00 0.00 0.00 55.97 54.49 3i1p s LYS 63 Cb -0.00 -2.06 0.00 0.00 -2.06 0.00 0.00 37.83 33.71 3i1p s LYS 63 CO 0.01 -0.54 0.77 1.97 0.10 0.00 0.00 175.35 177.66 3i1p n PHE 64 N 4.94 0.00 -1.19 1.78 1.16 -1.26 -4.95 117.46 117.94 3i1p n PHE 64 Ca -0.10 -0.34 -0.37 0.00 -1.87 0.00 0.00 57.45 54.76 3i1p n PHE 64 Cb 0.47 -0.20 0.01 0.00 -1.61 0.00 0.00 39.48 38.15 3i1p n PHE 64 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3i1p n GLY 65 N 0.48 -3.05 0.00 4.97 0.00 -1.26 -5.01 105.19 101.32 3i1p n GLY 65 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3i1p n GLY 65 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i1p n PHE 66 N -1.42 0.00 -3.94 1.61 7.35 -1.26 -5.18 117.46 114.62 3i1p n PHE 66 Ca 0.08 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.67 3i1p n PHE 66 Cb 0.45 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.17 3i1p n PHE 66 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3i1p s THR 67 N -2.00 0.11 0.03 -2.13 -4.23 -1.26 -5.08 115.64 101.08 3i1p s THR 67 Ca 0.00 -0.90 -0.29 0.00 -1.18 0.00 0.00 61.69 59.32 3i1p s THR 67 Cb 0.00 -0.47 -0.16 0.00 1.34 0.00 0.00 72.50 73.21 3i1p s THR 67 CO 0.00 -0.50 1.29 0.28 -0.54 0.00 0.00 174.62 175.15 3i1p h SER 68 N 4.30 -0.88 -0.78 3.99 0.02 -2.02 -3.47 113.55 114.71 3i1p h SER 68 Ca -0.32 0.03 -0.29 0.00 -0.84 0.00 0.00 61.79 60.38 3i1p h SER 68 Cb 1.20 0.23 -0.10 0.00 0.14 0.00 0.00 62.40 63.86 3i1p h SER 68 CO 0.43 -0.56 -0.27 0.54 -1.14 0.00 0.00 176.83 175.83 3i1p n ARG 69 N -5.12 -0.99 -0.92 3.45 5.12 -1.26 -4.75 116.66 112.19 3i1p n ARG 69 Ca -0.13 0.97 -0.04 0.00 -1.93 0.00 0.00 57.85 56.72 3i1p n ARG 69 Cb 0.41 -5.08 -0.04 0.00 -1.16 0.00 0.00 32.46 26.59 3i1p n ARG 69 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3i1p n LYS 70 N -2.57 0.00 0.00 5.56 4.81 -1.26 -4.88 118.16 119.82 3i1p n LYS 70 Ca -0.14 -0.87 0.00 0.00 -0.87 0.00 0.00 58.31 56.42 3i1p n LYS 70 Cb 0.48 0.29 0.00 0.00 0.02 0.00 0.00 35.03 35.81 3i1p n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1p n ALA 71 N 0.05 1.15 0.25 3.14 0.00 -1.26 -4.24 120.51 119.60 3i1p n ALA 71 Ca -0.17 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.40 3i1p n ALA 71 Cb 0.70 0.06 0.60 0.00 0.00 0.00 0.00 19.45 20.81 3i1p n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p h ALA 72 N 0.00 1.00 0.00 0.00 0.00 -1.97 -2.19 119.26 116.10 3i1p h ALA 72 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3i1p h ALA 72 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3i1p h ALA 72 CO 0.00 0.00 -1.25 0.44 0.00 0.00 0.00 179.25 178.44 3i1p n ILE 73 N -2.33 0.07 -2.73 0.00 -5.35 -1.26 -4.79 119.36 102.97 3i1p n ILE 73 Ca -0.00 -0.13 -0.43 0.00 -0.27 0.00 0.00 62.75 61.92 3i1p n ILE 73 Cb 0.11 0.09 -0.03 0.00 -1.74 0.00 0.00 39.64 38.07 3i1p n ILE 73 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3i1p s THR 74 N -2.29 4.65 0.59 7.28 2.01 -0.83 -1.96 115.64 125.09 3i1p s THR 74 Ca -0.02 1.72 0.09 0.00 0.31 0.00 0.00 61.69 63.79 3i1p s THR 74 Cb 0.03 -4.30 0.09 0.00 0.01 0.00 0.00 72.50 68.32 3i1p s THR 74 CO 0.20 -0.29 0.75 0.00 -0.69 0.00 0.00 174.62 174.59 3i1p s ALA 75 N 3.29 4.70 -0.07 7.40 0.00 -0.10 -4.77 121.76 132.21 3i1p s ALA 75 Ca 0.41 -2.03 -0.02 0.00 0.00 0.00 0.00 51.96 50.33 3i1p s ALA 75 Cb -0.14 -1.32 0.03 0.00 0.00 0.00 0.00 23.12 21.69 3i1p s ALA 75 CO 0.11 -0.85 0.03 -1.83 0.00 0.00 0.00 175.76 173.21 3i1p s GLU 76 N -4.64 0.35 0.41 0.00 -1.05 -1.26 -2.27 118.70 110.24 3i1p s GLU 76 Ca 0.58 0.18 -0.09 0.00 -0.15 0.00 0.00 54.97 55.48 3i1p s GLU 76 Cb -0.05 -0.89 -0.06 0.00 -0.44 0.00 0.00 34.13 32.70 3i1p s GLU 76 CO 0.36 -0.34 0.75 0.42 0.95 0.00 0.00 175.26 177.41 3i1p s ILE 77 N 2.04 4.83 0.25 1.83 1.01 -0.94 -4.90 121.20 125.32 3i1p s ILE 77 Ca 0.05 0.50 0.11 0.00 0.00 0.00 0.00 60.65 61.31 3i1p s ILE 77 Cb -0.12 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 3i1p s ILE 77 CO -0.05 -0.56 -0.20 -0.13 0.00 0.00 0.00 174.94 174.00 3i1p s ARG 78 N -3.98 1.60 0.00 2.79 0.52 -1.24 -3.82 118.95 114.81 3i1p s ARG 78 Ca 0.50 -1.70 0.00 0.00 -0.52 0.00 0.00 55.73 54.01 3i1p s ARG 78 Cb -0.10 -1.69 0.00 0.00 0.52 0.00 0.00 34.95 33.68 3i1p s ARG 78 CO 0.34 0.32 0.54 -0.11 0.02 0.00 0.00 175.30 176.41 3i1p n LEU 79 N -0.43 0.29 -1.08 2.53 0.00 -1.25 -1.05 117.00 116.01 3i1p n LEU 79 Ca -0.07 -0.14 0.08 0.00 0.00 0.00 0.00 56.01 55.88 3i1p n LEU 79 Cb 0.59 -0.14 0.26 0.00 0.00 0.00 0.00 43.42 44.13 3i1p n LEU 79 CO 0.36 0.07 0.72 -1.54 0.00 0.00 0.00 177.39 177.00 3i1p n SER 80 N -0.22 3.74 0.00 1.96 3.41 -1.26 -2.07 113.62 119.17 3i1p n SER 80 Ca 0.00 -2.22 0.00 0.00 -0.26 0.00 0.00 58.87 56.39 3i1p n SER 80 Cb 0.07 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 3i1p n SER 80 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3i1p n ASP 81 N 0.84 0.00 0.00 4.04 8.00 -0.21 -4.70 116.55 124.52 3i1p n ASP 81 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.69 3i1p n ASP 81 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 3i1p n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3i1p n LEU 82 N 0.00 0.00 -0.19 0.64 4.32 -1.26 0.10 117.00 120.61 3i1p n LEU 82 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.96 3i1p n LEU 82 Cb 0.00 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 41.83 3i1p n LEU 82 CO 0.00 0.00 0.69 0.00 -1.22 0.00 0.00 177.39 176.86 3i1p h ALA 83 N 0.00 0.17 -1.81 -1.18 0.00 -1.77 -3.37 119.26 111.30 3i1p h ALA 83 Ca 0.00 0.19 -0.56 0.00 0.00 0.00 0.00 54.91 54.54 3i1p h ALA 83 Cb 0.00 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3i1p h ALA 83 CO 0.00 -0.55 1.30 0.21 0.00 0.00 0.00 179.25 180.20 3i1p s LYS 84 N -6.12 3.20 0.00 0.00 2.20 0.29 -4.47 119.74 114.84 3i1p s LYS 84 Ca -0.14 1.31 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 3i1p s LYS 84 Cb 0.17 -4.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 3i1p s LYS 84 CO 0.71 -2.02 0.00 1.55 -0.36 0.00 0.00 175.35 175.24 3i1p n VAL 85 N 7.40 0.00 0.00 4.02 3.14 -1.26 -4.85 118.33 126.78 3i1p n VAL 85 Ca 0.23 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.61 3i1p n VAL 85 Cb 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.26 3i1p n VAL 85 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3i1p n GLU 86 N 0.00 0.00 0.00 1.45 -0.58 -1.26 -4.43 120.64 115.82 3i1p n GLU 86 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i1p n GLU 86 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3i1p n GLU 86 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i1p n GLY 87 N 0.00 -1.49 3.52 0.62 0.00 -1.26 -5.10 105.19 101.48 3i1p n GLY 87 Ca 0.00 0.51 -0.33 0.00 0.00 0.00 0.00 46.02 46.20 3i1p n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1p n GLY 88 N 0.00 -0.27 1.55 -0.02 0.00 -1.26 -4.64 105.19 100.56 3i1p n GLY 88 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.73 3i1p n GLY 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3i1p n VAL 89 N 7.43 -2.77 -2.72 1.61 3.14 -1.26 -4.71 118.33 119.05 3i1p n VAL 89 Ca 0.56 1.37 -0.41 0.00 -2.96 0.00 0.00 64.34 62.91 3i1p n VAL 89 Cb 0.24 -2.25 0.02 0.00 -1.06 0.00 0.00 33.84 30.78 3i1p n VAL 89 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 3i1p n VAL 90 N -2.49 5.89 -0.81 1.55 0.31 -0.61 -4.97 118.33 117.21 3i1p n VAL 90 Ca 0.00 -5.97 -0.34 0.00 -0.01 0.00 0.00 64.34 58.02 3i1p n VAL 90 Cb 0.42 -1.64 0.12 0.00 -0.91 0.00 0.00 33.84 31.82 3i1p n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3i1p n ASP 91 N 0.19 -2.86 -0.16 4.52 -0.08 -1.26 -1.90 116.55 115.00 3i1p n ASP 91 Ca 0.43 0.14 -0.06 0.00 -1.51 0.00 0.00 54.79 53.78 3i1p n ASP 91 Cb 0.28 -1.00 -0.05 0.00 2.34 0.00 0.00 41.12 42.69 3i1p n ASP 91 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3i1p h LEU 92 N -1.59 -1.01 0.00 -2.67 3.38 -1.76 -3.40 115.31 108.27 3i1p h LEU 92 Ca -0.46 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3i1p h LEU 92 Cb 1.32 0.44 0.00 0.00 0.09 0.00 0.00 40.66 42.51 3i1p h LEU 92 CO 0.33 -0.14 0.00 -0.46 0.09 0.00 0.00 178.44 178.26 3i1p n ASN 93 N -4.06 0.00 0.00 -0.43 6.94 -1.26 -4.74 115.26 111.71 3i1p n ASN 93 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3i1p n ASN 93 Cb 0.14 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 3i1p n ASN 93 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3i1p n THR 94 N 0.00 0.00 -0.35 5.53 -1.04 -1.26 -4.33 114.28 112.83 3i1p n THR 94 Ca 0.00 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.15 3i1p n THR 94 Cb 0.00 0.00 0.34 0.00 -1.82 0.00 0.00 70.33 68.85 3i1p n THR 94 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3i1p h LEU 95 N 0.00 0.73 0.25 -4.42 3.38 -1.82 2.14 115.31 115.57 3i1p h LEU 95 Ca 0.00 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3i1p h LEU 95 Cb 0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3i1p h LEU 95 CO 0.00 0.21 -0.20 0.11 0.09 0.00 0.00 178.44 178.66 3i1p h LYS 96 N 0.69 -0.42 0.00 1.13 1.57 -1.63 -0.49 116.57 117.43 3i1p h LYS 96 Ca 0.60 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.41 3i1p h LYS 96 Cb 1.01 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.41 3i1p h LYS 96 CO -0.42 -0.28 0.04 0.00 -0.57 0.00 0.00 179.45 178.23 3i1p n ALA 97 N -2.41 0.93 -2.61 3.86 0.00 -0.35 -1.76 120.51 118.18 3i1p n ALA 97 Ca -0.05 0.05 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3i1p n ALA 97 Cb 0.19 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.63 3i1p n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p n ALA 98 N -1.54 5.44 -2.17 0.00 0.00 0.71 -4.98 120.51 117.97 3i1p n ALA 98 Ca -0.00 -4.52 -0.04 0.00 0.00 0.00 0.00 53.44 48.88 3i1p n ALA 98 Cb 0.05 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3i1p n ALA 98 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3i1p n ASN 99 N -0.29 -0.68 0.00 0.00 0.23 -0.72 -4.74 115.26 109.06 3i1p n ASN 99 Ca 0.41 -0.09 0.00 0.00 -0.53 0.00 0.00 54.58 54.36 3i1p n ASN 99 Cb 0.38 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 3i1p n ASN 99 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i1p n ILE 100 N -0.50 0.00 0.00 1.53 0.13 -0.30 -4.99 119.36 115.24 3i1p n ILE 100 Ca -0.03 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.62 3i1p n ILE 100 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.89 3i1p n ILE 100 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 3i1p n ILE 101 N -0.28 0.00 0.00 9.51 2.08 -1.26 -2.16 119.36 127.25 3i1p n ILE 101 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3i1p n ILE 101 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3i1p n ILE 101 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i1p n GLY 102 N 0.00 3.40 0.39 7.39 0.00 -1.26 -4.78 105.19 110.33 3i1p n GLY 102 Ca 0.00 -1.31 0.20 0.00 0.00 0.00 0.00 46.02 44.91 3i1p n GLY 102 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3i1p h ILE 103 N 0.00 0.32 -0.76 -0.61 -0.00 -1.92 -1.43 117.51 113.12 3i1p h ILE 103 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 64.86 64.84 3i1p h ILE 103 Cb 0.00 0.62 -0.04 0.00 -0.00 0.00 0.00 36.82 37.41 3i1p h ILE 103 CO 0.00 0.00 0.41 1.56 -0.00 0.00 0.00 178.15 180.12 3i1p h GLN 104 N 0.00 1.07 -6.73 0.16 1.08 -1.94 -3.45 115.11 105.29 3i1p h GLN 104 Ca 0.19 -0.13 -0.55 0.00 -1.45 0.00 0.00 58.65 56.71 3i1p h GLN 104 Cb 1.11 -0.21 0.20 0.00 -0.05 0.00 0.00 27.48 28.54 3i1p h GLN 104 CO -0.00 0.80 -0.48 -0.89 -0.95 0.00 0.00 178.83 177.31 3i1p n ILE 105 N -4.44 0.90 -0.24 2.54 2.08 -0.54 -4.81 119.36 114.85 3i1p n ILE 105 Ca 0.07 -0.29 0.00 0.00 0.56 0.00 0.00 62.75 63.09 3i1p n ILE 105 Cb 0.10 -0.69 0.00 0.00 -0.75 0.00 0.00 39.64 38.30 3i1p n ILE 105 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3i1p n GLU 106 N -1.26 0.59 -4.05 0.38 1.02 -0.83 -5.01 120.64 111.49 3i1p n GLU 106 Ca 0.08 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.09 3i1p n GLU 106 Cb 0.52 -0.05 -0.13 0.00 -0.02 0.00 0.00 31.44 31.76 3i1p n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3i1p s PHE 107 N 0.00 0.44 -0.03 -0.32 0.08 -1.25 -5.03 117.98 111.88 3i1p s PHE 107 Ca 0.00 -0.32 -0.01 0.00 0.12 0.00 0.00 56.93 56.72 3i1p s PHE 107 Cb 0.00 -0.28 0.03 0.00 -0.57 0.00 0.00 43.02 42.20 3i1p s PHE 107 CO 0.00 -0.07 0.06 0.00 -0.10 0.00 0.00 175.22 175.11 3i1p s ALA 108 N -0.86 -0.01 0.44 5.36 0.00 -1.26 -0.92 121.76 124.51 3i1p s ALA 108 Ca -0.06 0.40 -0.00 0.00 0.00 0.00 0.00 51.96 52.29 3i1p s ALA 108 Cb -0.06 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.78 3i1p s ALA 108 CO -0.00 -0.12 0.13 1.63 0.00 0.00 0.00 175.76 177.40 3i1p n LYS 109 N 4.16 0.51 0.00 0.00 4.76 -0.96 -1.46 118.16 125.17 3i1p n LYS 109 Ca -0.27 -0.34 0.00 0.00 -2.87 0.00 0.00 58.31 54.83 3i1p n LYS 109 Cb 0.51 -0.09 0.00 0.00 -1.84 0.00 0.00 35.03 33.61 3i1p n LYS 109 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3i1p n VAL 110 N -1.58 0.00 0.00 -0.18 0.31 -0.78 -2.22 118.33 113.89 3i1p n VAL 110 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3i1p n VAL 110 Cb 0.07 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 3i1p n VAL 110 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3i1p n ILE 111 N -1.51 0.00 -3.63 2.52 -0.00 -1.25 -3.67 119.36 111.83 3i1p n ILE 111 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 62.75 62.50 3i1p n ILE 111 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 39.64 39.47 3i1p n ILE 111 CO 0.00 0.00 0.00 -1.48 -0.00 0.00 0.00 176.55 175.07 3i1p s LEU 112 N 0.00 0.33 -0.25 7.28 2.34 -1.26 -4.29 118.68 122.83 3i1p s LEU 112 Ca 0.00 -0.49 -0.12 0.00 0.06 0.00 0.00 54.13 53.58 3i1p s LEU 112 Cb 0.00 -0.23 -0.11 0.00 -0.56 0.00 0.00 46.19 45.29 3i1p s LEU 112 CO 0.00 -0.33 -0.32 0.00 -1.06 0.00 0.00 176.35 174.64 3i1p n ALA 113 N 5.28 1.40 0.00 1.48 0.00 -1.26 -4.81 120.51 122.60 3i1p n ALA 113 Ca -0.06 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.39 3i1p n ALA 113 Cb 0.49 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.11 3i1p n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1p n GLY 114 N 1.48 -1.75 2.27 0.00 0.00 -1.25 -4.92 105.19 101.02 3i1p n GLY 114 Ca -0.49 0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 3i1p n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i1p n GLU 115 N 0.00 0.00 0.05 1.61 4.71 -0.88 -4.83 120.64 121.30 3i1p n GLU 115 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3i1p n GLU 115 Cb 0.00 -0.69 0.00 0.00 -1.01 0.00 0.00 31.44 29.74 3i1p n GLU 115 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 3i1p n VAL 116 N -0.82 0.91 -1.31 2.62 3.14 -1.26 -4.56 118.33 117.05 3i1p n VAL 116 Ca 0.07 0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.75 3i1p n VAL 116 Cb 0.29 -1.47 0.00 0.00 -1.06 0.00 0.00 33.84 31.61 3i1p n VAL 116 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 3i1p n THR 117 N -3.40 0.00 -1.68 1.55 -1.04 -1.26 -4.32 114.28 104.13 3i1p n THR 117 Ca 0.00 0.00 -0.47 0.00 -2.04 0.00 0.00 64.05 61.54 3i1p n THR 117 Cb 0.08 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.55 3i1p n THR 117 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 3i1p n THR 118 N 0.00 0.60 -0.33 12.58 5.66 -1.26 -4.80 114.28 126.74 3i1p n THR 118 Ca 0.00 -0.11 -0.04 0.00 -3.05 0.00 0.00 64.05 60.85 3i1p n THR 118 Cb 0.00 -1.97 -0.05 0.00 -1.55 0.00 0.00 70.33 66.76 3i1p n THR 118 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3i1p n PRO 119 N 6.74 0.66 -0.73 1.09 -0.02 -1.26 -4.41 135.00 137.06 3i1p n PRO 119 Ca 0.22 -0.32 -0.30 0.00 -2.02 0.00 0.00 63.50 61.07 3i1p n PRO 119 Cb 0.32 -1.65 0.17 0.00 -0.02 0.00 0.00 33.50 32.32 3i1p n PRO 119 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i1p s VAL 120 N 2.26 2.18 -0.16 -1.45 1.01 -1.26 -4.42 120.40 118.57 3i1p s VAL 120 Ca 0.21 0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.20 3i1p s VAL 120 Cb 0.10 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 3i1p s VAL 120 CO 0.00 -0.08 0.04 0.28 0.00 0.00 0.00 175.10 175.34 3i1p s THR 121 N -2.65 4.57 -0.47 3.92 -1.32 -1.26 -4.19 115.64 114.25 3i1p s THR 121 Ca 0.66 -0.12 -0.27 0.00 -1.21 0.00 0.00 61.69 60.75 3i1p s THR 121 Cb -0.23 -3.02 0.03 0.00 -1.51 0.00 0.00 72.50 67.77 3i1p s THR 121 CO 0.59 0.50 1.03 0.68 -2.21 0.00 0.00 174.62 175.21 3i1p s VAL 122 N 0.08 4.33 -0.14 5.08 -7.23 -1.09 -1.58 120.40 119.86 3i1p s VAL 122 Ca 0.04 0.97 -0.06 0.00 -1.81 0.00 0.00 61.98 61.12 3i1p s VAL 122 Cb -0.13 -4.52 -0.04 0.00 0.56 0.00 0.00 36.38 32.25 3i1p s VAL 122 CO 0.01 -0.94 0.06 -0.13 -0.31 0.00 0.00 175.10 173.80 3i1p s ARG 123 N 4.12 3.58 -1.61 4.82 0.52 -0.80 -2.75 118.95 126.83 3i1p s ARG 123 Ca 0.42 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.32 3i1p s ARG 123 Cb -0.09 -3.09 0.00 0.00 0.52 0.00 0.00 34.95 32.29 3i1p s ARG 123 CO 0.29 0.51 0.00 0.41 0.02 0.00 0.00 175.30 176.53 3i1p n GLY 124 N 2.79 1.48 3.83 -3.53 0.00 -1.26 -2.34 105.19 106.15 3i1p n GLY 124 Ca -0.18 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 3i1p n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1p s LEU 125 N -3.51 2.57 -0.27 0.99 1.43 -1.26 -4.76 118.68 113.87 3i1p s LEU 125 Ca 0.00 -1.40 0.02 0.00 -1.03 0.00 0.00 54.13 51.72 3i1p s LEU 125 Cb 0.00 -1.02 0.07 0.00 0.03 0.00 0.00 46.19 45.26 3i1p s LEU 125 CO 0.00 -0.95 -0.06 -0.13 0.23 0.00 0.00 176.35 175.44 3i1p s ARG 126 N -4.08 1.87 -0.14 1.70 0.52 -0.53 -5.02 118.95 113.26 3i1p s ARG 126 Ca 0.23 -1.31 -0.05 0.00 -0.52 0.00 0.00 55.73 54.08 3i1p s ARG 126 Cb -0.00 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 3i1p s ARG 126 CO 0.14 -0.65 0.03 0.54 0.02 0.00 0.00 175.30 175.38 3i1p s VAL 127 N 1.18 4.54 0.83 3.52 0.11 -1.26 -1.86 120.40 127.46 3i1p s VAL 127 Ca -0.04 -0.14 -0.15 0.00 -2.93 0.00 0.00 61.98 58.72 3i1p s VAL 127 Cb -0.19 -2.98 -0.01 0.00 -1.53 0.00 0.00 36.38 31.66 3i1p s VAL 127 CO -0.07 0.53 0.42 0.41 -3.33 0.00 0.00 175.10 173.06 3i1p n THR 128 N 2.90 0.95 0.23 5.04 -1.04 -1.26 -4.56 114.28 116.54 3i1p n THR 128 Ca -0.18 -0.32 0.07 0.00 -2.04 0.00 0.00 64.05 61.58 3i1p n THR 128 Cb 0.53 -0.65 0.54 0.00 -1.82 0.00 0.00 70.33 68.93 3i1p n THR 128 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 3i1p h LYS 129 N -0.89 0.00 0.10 -2.82 2.10 -1.98 0.42 116.57 113.49 3i1p h LYS 129 Ca -0.45 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 57.88 3i1p h LYS 129 Cb 1.32 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.63 3i1p h LYS 129 CO 0.38 0.19 -1.72 0.78 -2.00 0.00 0.00 179.45 177.08 3i1p h GLY 130 N 0.64 0.24 2.00 0.07 0.00 -1.96 -3.16 103.07 100.89 3i1p h GLY 130 Ca -0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 3i1p h GLY 130 CO 0.02 0.53 -0.03 0.00 0.00 0.00 0.00 176.54 177.07 3i1p h ALA 131 N 0.46 0.99 0.19 3.60 0.00 -1.74 -2.83 119.26 119.92 3i1p h ALA 131 Ca -0.31 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.31 3i1p h ALA 131 Cb 2.02 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.84 3i1p h ALA 131 CO 0.12 0.03 -1.16 -0.09 0.00 0.00 0.00 179.25 178.16 3i1p h ARG 132 N 0.00 0.46 -0.38 0.00 2.43 -0.31 -3.12 114.38 113.46 3i1p h ARG 132 Ca -0.00 -0.74 0.00 0.00 -0.81 0.00 0.00 59.98 58.43 3i1p h ARG 132 Cb 0.85 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3i1p h ARG 132 CO 0.00 1.35 0.00 0.00 -1.51 0.00 0.00 179.97 179.81 3i1p n ALA 133 N -2.69 2.36 -0.03 2.80 0.00 -1.10 -0.79 120.51 121.06 3i1p n ALA 133 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3i1p n ALA 133 Cb 0.96 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.41 3i1p n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p n ALA 134 N -0.26 1.39 -0.11 0.00 0.00 -1.09 -4.22 120.51 116.22 3i1p n ALA 134 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 53.44 53.17 3i1p n ALA 134 Cb 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.46 3i1p n ALA 134 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3i1p n ILE 135 N -0.62 1.30 0.15 0.00 3.06 -0.87 -3.98 119.36 118.39 3i1p n ILE 135 Ca 0.00 -0.30 0.00 0.00 -2.50 0.00 0.00 62.75 59.95 3i1p n ILE 135 Cb 0.01 -1.85 0.21 0.00 0.54 0.00 0.00 39.64 38.55 3i1p n ILE 135 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 3i1p h GLU 136 N -0.84 0.00 0.27 9.51 4.81 -1.15 -1.81 114.58 125.37 3i1p h GLU 136 Ca -0.56 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.66 3i1p h GLU 136 Cb 1.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.86 3i1p h GLU 136 CO -0.34 0.56 -0.13 0.00 -0.73 0.00 0.00 179.01 178.37 3i1p h ALA 137 N 1.44 -0.36 0.00 2.92 0.00 -1.73 -3.12 119.26 118.40 3i1p h ALA 137 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3i1p h ALA 137 Cb 1.02 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3i1p h ALA 137 CO 0.07 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.91 3i1p n ALA 138 N -2.61 2.38 -0.80 0.00 0.00 -1.24 -4.79 120.51 113.45 3i1p n ALA 138 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3i1p n ALA 138 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3i1p n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1p n GLY 139 N 0.51 -1.57 0.00 0.00 0.00 -1.17 -4.94 105.19 98.03 3i1p n GLY 139 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3i1p n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1p n GLY 140 N 0.68 0.92 3.26 -0.02 0.00 -0.69 -4.40 105.19 104.93 3i1p n GLY 140 Ca 0.00 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 3i1p n GLY 140 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1p s LYS 141 N -2.00 1.04 -0.04 1.61 2.36 -1.26 -4.31 119.74 117.14 3i1p s LYS 141 Ca 0.00 -1.12 0.07 0.00 -2.55 0.00 0.00 55.97 52.37 3i1p s LYS 141 Cb 0.00 -1.22 -0.02 0.00 -1.05 0.00 0.00 37.83 35.54 3i1p s LYS 141 CO 0.00 0.28 -0.23 0.42 1.55 0.00 0.00 175.35 177.37 3i1p s ILE 142 N -1.26 2.29 -2.00 5.43 1.09 -1.26 -2.66 121.20 122.82 3i1p s ILE 142 Ca 0.05 -1.01 0.19 0.00 -1.10 0.00 0.00 60.65 58.77 3i1p s ILE 142 Cb -0.10 -1.83 0.53 0.00 -1.06 0.00 0.00 42.46 40.01 3i1p s ILE 142 CO 0.04 0.58 1.52 -1.84 -0.10 0.00 0.00 174.94 175.13 3i1p n GLU 143 N 2.54 0.64 0.00 2.79 0.00 -1.11 -5.00 120.64 120.49 3i1p n GLU 143 Ca -0.17 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.02 3i1p n GLU 143 Cb 0.51 -1.45 0.13 0.00 0.00 0.00 0.00 31.44 30.63 3i1p n GLU 143 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22