#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t n ILE 2 N 0.00 -0.42 -3.68 1.12 2.08 -1.26 -4.11 119.36 113.09 3i1t n ILE 2 Ca 0.00 2.11 -0.11 0.00 0.56 0.00 0.00 62.75 65.31 3i1t n ILE 2 Cb 0.00 -3.21 -0.12 0.00 -0.75 0.00 0.00 39.64 35.56 3i1t n ILE 2 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3i1t s ARG 3 N -5.80 0.25 0.00 0.38 0.52 -1.26 -5.13 118.95 107.92 3i1t s ARG 3 Ca -0.11 0.81 -0.27 0.00 -0.52 0.00 0.00 55.73 55.64 3i1t s ARG 3 Cb 0.31 0.06 -0.13 0.00 0.52 0.00 0.00 34.95 35.71 3i1t s ARG 3 CO 0.77 -0.23 0.72 0.39 0.02 0.00 0.00 175.30 176.97 3i1t n GLU 4 N 4.98 0.00 0.19 3.54 -0.58 -1.26 -4.72 120.64 122.79 3i1t n GLU 4 Ca -0.13 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 56.77 3i1t n GLU 4 Cb 0.51 -1.01 0.78 0.00 -0.57 0.00 0.00 31.44 31.16 3i1t n GLU 4 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 3i1t h GLU 5 N 2.01 0.00 -0.87 3.49 4.11 -1.97 0.17 114.58 121.53 3i1t h GLU 5 Ca -0.34 0.00 0.18 0.00 0.07 0.00 0.00 59.36 59.26 3i1t h GLU 5 Cb 0.96 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.11 3i1t h GLU 5 CO 0.44 0.00 0.42 0.00 0.07 0.00 0.00 179.01 179.94 3i1t h ARG 6 N 0.00 0.52 0.00 1.06 3.08 -2.03 0.34 114.38 117.35 3i1t h ARG 6 Ca 0.09 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 3i1t h ARG 6 Cb 0.46 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3i1t h ARG 6 CO -0.00 0.34 -0.36 1.25 -1.07 0.00 0.00 179.97 180.13 3i1t h LEU 7 N 0.53 0.00 0.00 3.04 6.46 -0.98 -3.29 115.31 121.07 3i1t h LEU 7 Ca 0.50 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.26 3i1t h LEU 7 Cb 0.82 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.75 3i1t h LEU 7 CO -0.43 0.36 0.00 0.18 -0.62 0.00 0.00 178.44 177.93 3i1t n LEU 8 N -3.22 0.00 -1.96 2.25 4.77 0.12 -3.52 117.00 115.44 3i1t n LEU 8 Ca 0.02 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 3i1t n LEU 8 Cb 0.65 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.70 3i1t n LEU 8 CO 0.38 0.00 1.35 2.29 -1.33 0.00 0.00 177.39 180.08 3i1t n LYS 9 N -0.62 1.79 -0.04 3.23 0.00 -1.21 -4.53 118.16 116.77 3i1t n LYS 9 Ca 0.03 -1.22 -0.01 0.00 -0.00 0.00 0.00 58.31 57.11 3i1t n LYS 9 Cb 0.01 -1.68 -0.00 0.00 -0.00 0.00 0.00 35.03 33.36 3i1t n LYS 9 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 3i1t h VAL 10 N 1.47 0.00 -2.11 0.58 -1.51 -1.91 -3.48 116.25 109.30 3i1t h VAL 10 Ca 0.22 -0.71 -0.58 0.00 -1.23 0.00 0.00 66.70 64.40 3i1t h VAL 10 Cb 1.04 0.00 0.20 0.00 -2.13 0.00 0.00 31.29 30.40 3i1t h VAL 10 CO 0.47 0.00 -1.32 0.18 -1.23 0.00 0.00 177.57 175.67 3i1t n LEU 11 N -3.96 -4.06 0.00 4.19 4.32 -1.26 -4.51 117.00 111.72 3i1t n LEU 11 Ca -0.02 0.50 0.00 0.00 -0.02 0.00 0.00 56.01 56.47 3i1t n LEU 11 Cb 0.07 -0.85 0.00 0.00 -1.62 0.00 0.00 43.42 41.01 3i1t n LEU 11 CO 0.03 -5.06 -0.23 0.54 -1.22 0.00 0.00 177.39 171.45 3i1t n ARG 12 N 1.64 2.67 -3.59 3.23 3.00 -1.26 -4.95 116.66 117.40 3i1t n ARG 12 Ca 0.05 0.00 -0.06 0.00 -0.01 0.00 0.00 57.85 57.83 3i1t n ARG 12 Cb 0.50 -0.73 -0.02 0.00 0.00 0.00 0.00 32.46 32.21 3i1t n ARG 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i1t s ALA 13 N -1.14 -1.85 0.00 7.54 0.00 -1.26 -5.01 121.76 120.04 3i1t s ALA 13 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.78 3i1t s ALA 13 Cb 0.00 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.52 3i1t s ALA 13 CO 0.00 -0.81 0.00 -0.35 0.00 0.00 0.00 175.76 174.60 3i1t n PRO 14 N -0.31 0.00 0.00 0.00 -0.04 -1.26 -1.08 135.00 132.31 3i1t n PRO 14 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 3i1t n PRO 14 Cb 0.61 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.07 3i1t n PRO 14 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3i1t n HIS 15 N 0.00 0.00 -3.17 0.54 -0.00 -1.26 -3.73 115.22 107.59 3i1t n HIS 15 Ca 0.00 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.96 3i1t n HIS 15 Cb 0.00 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 29.89 3i1t n HIS 15 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3i1t n VAL 16 N 0.00 -7.73 -3.19 3.57 0.31 -1.26 -5.01 118.33 105.01 3i1t n VAL 16 Ca 0.00 0.49 0.00 0.00 -0.01 0.00 0.00 64.34 64.82 3i1t n VAL 16 Cb 0.00 -5.54 -0.02 0.00 -0.91 0.00 0.00 33.84 27.38 3i1t n VAL 16 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3i1t s SER 17 N -2.12 -1.05 0.00 4.52 0.01 -1.26 -5.02 113.70 108.78 3i1t s SER 17 Ca 0.30 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.75 3i1t s SER 17 Cb -0.05 1.81 0.00 0.00 0.21 0.00 0.00 66.02 67.98 3i1t s SER 17 CO 0.82 -0.30 0.00 -1.84 0.41 0.00 0.00 173.24 172.33 3i1t n GLU 18 N 5.40 0.00 -1.02 12.44 0.00 -1.26 -3.61 120.64 132.59 3i1t n GLU 18 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.86 3i1t n GLU 18 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.85 3i1t n GLU 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3i1t n LYS 19 N 8.05 0.23 0.00 3.44 4.76 -1.26 -0.51 118.16 132.87 3i1t n LYS 19 Ca 0.00 -1.40 0.00 0.00 -2.87 0.00 0.00 58.31 54.04 3i1t n LYS 19 Cb 0.00 -3.12 0.00 0.00 -1.84 0.00 0.00 35.03 30.07 3i1t n LYS 19 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i1t n ALA 20 N 13.19 0.00 -1.74 7.82 0.00 -1.24 -4.92 120.51 133.62 3i1t n ALA 20 Ca 0.45 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.92 3i1t n ALA 20 Cb 0.44 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.93 3i1t n ALA 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i1t n SER 21 N 0.00 0.63 0.00 0.00 3.41 -0.39 -3.36 113.62 113.90 3i1t n SER 21 Ca 0.00 -2.28 0.00 0.00 -0.26 0.00 0.00 58.87 56.33 3i1t n SER 21 Cb 0.00 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 3i1t n SER 21 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i1t n THR 22 N -0.38 0.00 -0.30 6.66 -2.24 0.34 -4.63 114.28 113.73 3i1t n THR 22 Ca 0.04 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.93 3i1t n THR 22 Cb 0.68 0.00 0.34 0.00 -2.10 0.00 0.00 70.33 69.25 3i1t n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1t h ALA 23 N 0.79 1.75 0.26 6.98 0.00 -1.95 0.14 119.26 127.23 3i1t h ALA 23 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3i1t h ALA 23 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3i1t h ALA 23 CO 0.00 0.00 -0.13 0.52 0.00 0.00 0.00 179.25 179.65 3i1t h MET 24 N 0.77 -0.34 -0.68 0.00 2.86 -1.86 -2.60 114.93 113.09 3i1t h MET 24 Ca 0.47 0.02 0.14 0.00 -2.06 0.00 0.00 59.70 58.28 3i1t h MET 24 Cb 0.67 0.08 -0.12 0.00 0.06 0.00 0.00 31.60 32.29 3i1t h MET 24 CO -0.23 -0.01 -0.04 1.49 1.06 0.00 0.00 176.91 179.18 3i1t h GLU 25 N -0.95 0.08 -0.41 1.72 4.57 -1.24 0.98 114.58 119.32 3i1t h GLU 25 Ca -0.04 -0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.20 3i1t h GLU 25 Cb 0.48 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.00 3i1t h GLU 25 CO 0.06 0.05 0.08 -0.22 -1.18 0.00 0.00 179.01 177.81 3i1t h LYS 26 N 0.08 0.21 0.25 1.92 3.64 -0.74 -1.01 116.57 120.92 3i1t h LYS 26 Ca 0.35 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 3i1t h LYS 26 Cb 0.58 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3i1t h LYS 26 CO -0.61 0.14 -0.12 1.03 -2.27 0.00 0.00 179.45 177.61 3i1t h SER 27 N 0.22 -0.29 -5.96 4.20 0.87 -0.89 -3.49 113.55 108.21 3i1t h SER 27 Ca 0.20 -0.12 0.40 0.00 -1.23 0.00 0.00 61.79 61.04 3i1t h SER 27 Cb 0.24 0.07 -0.09 0.00 -0.44 0.00 0.00 62.40 62.18 3i1t h SER 27 CO -0.26 -0.05 1.00 0.54 -0.53 0.00 0.00 176.83 177.53 3i1t s ASN 28 N -5.04 -0.00 0.31 6.23 4.22 0.33 -5.08 114.94 115.90 3i1t s ASN 28 Ca -0.15 -0.04 0.00 0.00 -2.14 0.00 0.00 52.86 50.53 3i1t s ASN 28 Cb 0.04 0.03 0.00 0.00 1.28 0.00 0.00 41.25 42.60 3i1t s ASN 28 CO 0.61 -0.06 0.00 1.07 -2.04 0.00 0.00 177.10 176.68 3i1t n THR 29 N -0.87 -1.24 -4.58 0.54 5.66 -1.26 -2.62 114.28 109.91 3i1t n THR 29 Ca 0.03 0.69 -0.23 0.00 -3.05 0.00 0.00 64.05 61.48 3i1t n THR 29 Cb 0.59 -1.12 -0.14 0.00 -1.55 0.00 0.00 70.33 68.11 3i1t n THR 29 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3i1t s ILE 30 N -4.72 1.41 0.05 1.09 1.10 -1.26 -3.38 121.20 115.48 3i1t s ILE 30 Ca 0.00 -1.03 -0.02 0.00 -0.51 0.00 0.00 60.65 59.10 3i1t s ILE 30 Cb 0.00 -1.23 -0.04 0.00 0.15 0.00 0.00 42.46 41.34 3i1t s ILE 30 CO 0.00 0.17 0.23 0.68 -2.11 0.00 0.00 174.94 173.91 3i1t s VAL 31 N -0.73 5.37 -0.09 4.00 -7.23 -1.21 -2.58 120.40 117.93 3i1t s VAL 31 Ca 0.05 -0.24 -0.32 0.00 -1.81 0.00 0.00 61.98 59.66 3i1t s VAL 31 Cb -0.08 -3.60 0.12 0.00 0.56 0.00 0.00 36.38 33.38 3i1t s VAL 31 CO 0.01 0.19 1.09 -1.48 -0.31 0.00 0.00 175.10 174.60 3i1t s LEU 32 N -2.33 -0.21 0.78 1.32 2.34 -1.25 -4.38 118.68 114.95 3i1t s LEU 32 Ca 0.33 -0.03 -0.16 0.00 0.06 0.00 0.00 54.13 54.33 3i1t s LEU 32 Cb -0.13 1.65 -0.04 0.00 -0.56 0.00 0.00 46.19 47.11 3i1t s LEU 32 CO 0.24 -0.41 0.35 1.17 -1.06 0.00 0.00 176.35 176.65 3i1t n LYS 33 N -0.20 0.13 -0.09 1.48 3.00 -0.24 -2.69 118.16 119.56 3i1t n LYS 33 Ca -0.04 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 3i1t n LYS 33 Cb 0.60 -1.72 0.00 0.00 0.00 0.00 0.00 35.03 33.91 3i1t n LYS 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3i1t n VAL 34 N -2.60 0.00 -0.46 3.15 0.31 -1.11 -4.42 118.33 113.20 3i1t n VAL 34 Ca 0.08 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.47 3i1t n VAL 34 Cb 0.51 0.87 -0.02 0.00 -0.91 0.00 0.00 33.84 34.29 3i1t n VAL 34 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1t n ALA 35 N 0.00 -1.21 0.02 3.52 0.00 -1.26 -3.96 120.51 117.62 3i1t n ALA 35 Ca 0.00 0.23 -0.18 0.00 0.00 0.00 0.00 53.44 53.48 3i1t n ALA 35 Cb 0.53 -0.46 -0.14 0.00 0.00 0.00 0.00 19.45 19.38 3i1t n ALA 35 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3i1t h LYS 36 N -0.44 0.24 -0.57 0.00 3.64 -1.93 -3.26 116.57 114.25 3i1t h LYS 36 Ca -0.03 -0.38 0.11 0.00 -1.27 0.00 0.00 60.65 59.08 3i1t h LYS 36 Cb 0.43 0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 32.30 3i1t h LYS 36 CO 0.02 1.16 0.07 -0.44 -2.27 0.00 0.00 179.45 177.99 3i1t h ASP 37 N -0.48 -0.10 -2.81 4.20 3.45 -2.00 -3.47 116.42 115.21 3i1t h ASP 37 Ca -0.10 0.12 0.32 0.00 0.43 0.00 0.00 57.03 57.80 3i1t h ASP 37 Cb 1.44 0.19 -0.10 0.00 -0.56 0.00 0.00 39.33 40.29 3i1t h ASP 37 CO 0.11 -0.03 -0.57 0.00 -1.57 0.00 0.00 179.24 177.18 3i1t n ALA 38 N -2.64 -3.49 0.00 3.45 0.00 -1.23 -5.03 120.51 111.58 3i1t n ALA 38 Ca 0.08 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3i1t n ALA 38 Cb 0.31 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3i1t n ALA 38 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3i1t n THR 39 N -3.74 0.00 0.00 0.00 5.66 -1.26 -4.98 114.28 109.96 3i1t n THR 39 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 3i1t n THR 39 Cb 0.65 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.43 3i1t n THR 39 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 3i1t n LYS 40 N 0.00 0.00 0.07 1.09 4.81 -1.26 -4.49 118.16 118.38 3i1t n LYS 40 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 3i1t n LYS 40 Cb 0.00 -1.54 -0.04 0.00 0.02 0.00 0.00 35.03 33.47 3i1t n LYS 40 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1t n ALA 41 N 0.25 2.44 0.01 3.14 0.00 -1.26 -3.67 120.51 121.42 3i1t n ALA 41 Ca 0.00 -0.35 0.09 0.00 0.00 0.00 0.00 53.44 53.18 3i1t n ALA 41 Cb 0.00 -1.01 0.20 0.00 0.00 0.00 0.00 19.45 18.64 3i1t n ALA 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i1t n GLU 42 N -2.66 2.44 -0.05 0.00 1.02 -1.26 -4.03 120.64 116.10 3i1t n GLU 42 Ca -0.03 -2.18 -0.20 0.00 -0.02 0.00 0.00 57.16 54.73 3i1t n GLU 42 Cb 0.62 -1.42 -0.13 0.00 -0.02 0.00 0.00 31.44 30.49 3i1t n GLU 42 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 3i1t n ILE 43 N 1.14 1.65 0.08 -3.67 3.06 -1.24 -2.23 119.36 118.16 3i1t n ILE 43 Ca 0.17 -0.62 0.03 0.00 -2.50 0.00 0.00 62.75 59.83 3i1t n ILE 43 Cb 0.52 -1.58 0.43 0.00 0.54 0.00 0.00 39.64 39.54 3i1t n ILE 43 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 3i1t h LYS 44 N 0.04 0.36 0.00 9.51 3.64 -1.75 -1.54 116.57 126.83 3i1t h LYS 44 Ca -0.49 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 3i1t h LYS 44 Cb 1.98 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 3i1t h LYS 44 CO 0.01 0.34 -0.01 0.00 -2.27 0.00 0.00 179.45 177.52 3i1t h ALA 45 N 1.72 1.00 0.00 5.00 0.00 -1.70 0.10 119.26 125.37 3i1t h ALA 45 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i1t h ALA 45 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3i1t h ALA 45 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3i1t n ALA 46 N -2.08 2.56 -1.04 0.00 0.00 -0.59 -2.81 120.51 116.55 3i1t n ALA 46 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3i1t n ALA 46 Cb 0.52 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3i1t n ALA 46 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1t n VAL 47 N -1.00 0.00 0.02 0.00 0.24 -1.05 -4.44 118.33 112.11 3i1t n VAL 47 Ca 0.21 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.39 3i1t n VAL 47 Cb 0.10 1.15 -0.09 0.00 -1.47 0.00 0.00 33.84 33.53 3i1t n VAL 47 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 3i1t h GLN 48 N 0.00 -0.12 0.00 7.34 1.08 -0.63 -3.32 115.11 119.46 3i1t h GLN 48 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3i1t h GLN 48 Cb 0.90 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 3i1t h GLN 48 CO 0.00 0.39 0.00 1.63 -0.95 0.00 0.00 178.83 179.90 3i1t n LYS 49 N -4.88 0.00 -0.66 1.46 4.76 -1.25 -4.76 118.16 112.84 3i1t n LYS 49 Ca -0.08 0.09 -0.32 0.00 -2.87 0.00 0.00 58.31 55.13 3i1t n LYS 49 Cb 0.28 -0.45 0.18 0.00 -1.84 0.00 0.00 35.03 33.20 3i1t n LYS 49 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3i1t n LEU 50 N -1.27 -1.61 -3.78 -0.35 0.00 -1.26 -3.62 117.00 105.10 3i1t n LEU 50 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 56.01 55.74 3i1t n LEU 50 Cb 0.00 -1.07 0.02 0.00 0.00 0.00 0.00 43.42 42.37 3i1t n LEU 50 CO 0.00 -3.19 -0.05 0.49 0.00 0.00 0.00 177.39 174.64 3i1t n PHE 51 N -4.38 -1.96 0.00 1.96 3.01 -1.26 -4.25 117.46 110.58 3i1t n PHE 51 Ca 0.02 0.84 0.00 0.00 1.01 0.00 0.00 57.45 59.33 3i1t n PHE 51 Cb 0.59 -4.22 0.00 0.00 -0.01 0.00 0.00 39.48 35.84 3i1t n PHE 51 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3i1t n GLU 52 N -4.38 0.00 -0.26 -1.08 -0.58 -1.24 -4.59 120.64 108.52 3i1t n GLU 52 Ca -0.23 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.45 3i1t n GLU 52 Cb 0.65 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.57 3i1t n GLU 52 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 3i1t n VAL 53 N 0.00 0.00 -3.72 2.62 0.24 -1.26 -4.73 118.33 111.48 3i1t n VAL 53 Ca 0.00 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 3i1t n VAL 53 Cb 0.00 -1.18 0.00 0.00 -1.47 0.00 0.00 33.84 31.19 3i1t n VAL 53 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3i1t n GLU 54 N -2.14 0.09 -3.94 7.34 0.00 -1.25 -4.57 120.64 116.19 3i1t n GLU 54 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.10 3i1t n GLU 54 Cb 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.48 3i1t n GLU 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3i1t s VAL 55 N -1.67 0.14 0.00 3.84 0.11 -1.26 -4.42 120.40 117.14 3i1t s VAL 55 Ca 0.00 -1.17 0.00 0.00 -2.93 0.00 0.00 61.98 57.88 3i1t s VAL 55 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 3i1t s VAL 55 CO 0.00 -0.65 0.00 -0.62 -3.33 0.00 0.00 175.10 170.50 3i1t n GLU 56 N 0.62 0.00 -5.24 1.54 4.71 -1.26 -4.90 120.64 116.11 3i1t n GLU 56 Ca -0.18 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.66 3i1t n GLU 56 Cb 0.59 0.00 -0.16 0.00 -1.01 0.00 0.00 31.44 30.86 3i1t n GLU 56 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3i1t s VAL 57 N 0.00 2.17 0.55 2.62 0.11 -1.26 -5.03 120.40 119.56 3i1t s VAL 57 Ca 0.00 -1.05 -0.04 0.00 -2.93 0.00 0.00 61.98 57.96 3i1t s VAL 57 Cb 0.00 -1.78 0.00 0.00 -1.53 0.00 0.00 36.38 33.08 3i1t s VAL 57 CO 0.00 0.58 0.83 0.54 -3.33 0.00 0.00 175.10 173.72 3i1t s VAL 58 N -0.42 3.78 -0.30 2.04 0.11 -1.26 -4.69 120.40 119.66 3i1t s VAL 58 Ca 0.04 -0.14 -0.03 0.00 -2.93 0.00 0.00 61.98 58.92 3i1t s VAL 58 Cb -0.12 -3.47 0.11 0.00 -1.53 0.00 0.00 36.38 31.37 3i1t s VAL 58 CO 0.01 -0.44 0.14 0.20 -3.33 0.00 0.00 175.10 171.69 3i1t s ASN 59 N -4.28 3.47 0.58 3.54 0.01 -0.84 -5.05 114.94 112.38 3i1t s ASN 59 Ca 0.52 -1.50 0.02 0.00 -0.71 0.00 0.00 52.86 51.19 3i1t s ASN 59 Cb -0.10 -0.40 0.10 0.00 0.41 0.00 0.00 41.25 41.25 3i1t s ASN 59 CO 0.43 -0.41 0.70 0.35 -1.51 0.00 0.00 177.10 176.66 3i1t n THR 60 N 4.97 0.00 -3.63 1.60 -2.24 -1.19 -4.29 114.28 109.50 3i1t n THR 60 Ca -0.02 -1.26 -0.06 0.00 -2.27 0.00 0.00 64.05 60.43 3i1t n THR 60 Cb 0.41 -0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 67.69 3i1t n THR 60 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3i1t s LEU 61 N 0.00 -0.22 0.44 3.22 0.05 -1.26 -5.01 118.68 115.90 3i1t s LEU 61 Ca 0.48 0.34 0.02 0.00 0.05 0.00 0.00 54.13 55.02 3i1t s LEU 61 Cb -0.03 1.46 0.00 0.00 -2.05 0.00 0.00 46.19 45.57 3i1t s LEU 61 CO 0.32 -0.13 0.64 -0.69 -0.55 0.00 0.00 176.35 175.93 3i1t s VAL 62 N -0.44 3.83 0.03 1.48 1.01 -1.26 -1.25 120.40 123.80 3i1t s VAL 62 Ca 0.05 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 3i1t s VAL 62 Cb -0.03 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.95 3i1t s VAL 62 CO -0.08 -0.25 0.16 0.68 0.00 0.00 0.00 175.10 175.62 3i1t s VAL 63 N -2.49 0.11 -0.14 2.92 -7.23 -0.73 -4.90 120.40 107.93 3i1t s VAL 63 Ca 0.49 -0.88 -0.04 0.00 -1.81 0.00 0.00 61.98 59.73 3i1t s VAL 63 Cb -0.10 -0.79 -0.03 0.00 0.56 0.00 0.00 36.38 36.02 3i1t s VAL 63 CO 0.36 -0.49 -0.00 -0.54 -0.31 0.00 0.00 175.10 174.12 3i1t s LYS 64 N -2.27 3.57 0.28 4.82 3.01 -1.26 -2.56 119.74 125.32 3i1t s LYS 64 Ca -0.07 -0.45 -0.29 0.00 -1.01 0.00 0.00 55.97 54.14 3i1t s LYS 64 Cb -0.03 -2.96 -0.09 0.00 -1.01 0.00 0.00 37.83 33.74 3i1t s LYS 64 CO -0.03 0.37 1.07 0.20 0.51 0.00 0.00 175.35 177.48 3i1t s GLY 65 N 0.04 3.07 1.26 -3.33 0.00 -1.08 -4.98 107.32 102.29 3i1t s GLY 65 Ca 0.02 0.85 -0.17 0.00 0.00 0.00 0.00 44.72 45.42 3i1t s GLY 65 CO 0.02 1.44 1.00 0.54 0.00 0.00 0.00 173.10 176.11 3i1t s LYS 66 N -1.44 -1.67 0.01 2.90 1.02 -1.26 -4.64 119.74 114.67 3i1t s LYS 66 Ca 0.44 0.41 0.01 0.00 0.02 0.00 0.00 55.97 56.85 3i1t s LYS 66 Cb -0.31 -1.50 -0.01 0.00 -0.52 0.00 0.00 37.83 35.49 3i1t s LYS 66 CO 0.39 -4.11 -0.04 0.54 -0.92 0.00 0.00 175.35 171.21 3i1t s VAL 67 N -2.50 0.27 0.00 3.17 0.11 -1.26 -3.38 120.40 116.81 3i1t s VAL 67 Ca 0.69 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 3i1t s VAL 67 Cb -0.18 -0.31 0.00 0.00 -1.53 0.00 0.00 36.38 34.36 3i1t s VAL 67 CO 0.60 -0.19 0.00 0.29 -3.33 0.00 0.00 175.10 172.48 3i1t n LYS 68 N 2.28 0.00 -1.19 1.54 5.02 -1.14 -5.06 118.16 119.62 3i1t n LYS 68 Ca -0.18 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.25 3i1t n LYS 68 Cb 0.57 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.50 3i1t n LYS 68 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3i1t n ARG 69 N 0.00 -2.77 -1.19 1.97 3.00 -1.26 -2.76 116.66 113.65 3i1t n ARG 69 Ca 0.00 2.27 0.16 0.00 -0.00 0.00 0.00 57.85 60.28 3i1t n ARG 69 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 32.46 29.21 3i1t n ARG 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3i1t n HIS 70 N -3.88 -3.36 0.00 -0.14 8.25 -1.26 -4.39 115.22 110.43 3i1t n HIS 70 Ca -0.08 1.48 0.00 0.00 -0.26 0.00 0.00 57.72 58.87 3i1t n HIS 70 Cb 0.56 -2.69 0.00 0.00 1.12 0.00 0.00 29.99 28.98 3i1t n HIS 70 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i1t n GLY 71 N -3.49 0.42 0.20 -1.41 0.00 -1.26 -4.84 105.19 94.81 3i1t n GLY 71 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 3i1t n GLY 71 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3i1t h GLN 72 N 0.00 0.00 0.00 1.61 7.50 -2.03 -3.43 115.11 118.76 3i1t h GLN 72 Ca 0.00 0.00 -0.25 0.00 0.50 0.00 0.00 58.65 58.90 3i1t h GLN 72 Cb 0.00 0.00 0.06 0.00 0.05 0.00 0.00 27.48 27.59 3i1t h GLN 72 CO 0.00 0.31 0.11 0.54 -1.50 0.00 0.00 178.83 178.29 3i1t n ARG 73 N -3.93 -0.05 -3.84 1.46 5.12 -1.26 -5.13 116.66 109.02 3i1t n ARG 73 Ca -0.02 -1.41 -0.06 0.00 -1.93 0.00 0.00 57.85 54.44 3i1t n ARG 73 Cb 0.38 -0.48 0.02 0.00 -1.16 0.00 0.00 32.46 31.22 3i1t n ARG 73 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 3i1t s ILE 74 N -1.89 0.00 -0.04 0.55 1.10 -1.26 -4.55 121.20 115.11 3i1t s ILE 74 Ca 0.38 -0.80 -0.31 0.00 -0.51 0.00 0.00 60.65 59.42 3i1t s ILE 74 Cb -0.02 -2.85 0.12 0.00 0.15 0.00 0.00 42.46 39.86 3i1t s ILE 74 CO 0.26 0.00 1.25 -0.83 -2.11 0.00 0.00 174.94 173.51 3i1t s GLY 75 N -3.22 -0.38 0.04 1.50 0.00 -1.11 -4.92 107.32 99.22 3i1t s GLY 75 Ca 0.18 0.83 -0.10 0.00 0.00 0.00 0.00 44.72 45.64 3i1t s GLY 75 CO 0.08 0.19 0.21 -1.60 0.00 0.00 0.00 173.10 171.98 3i1t s ARG 76 N -2.49 0.71 0.77 2.90 3.52 -1.26 -2.89 118.95 120.21 3i1t s ARG 76 Ca 0.13 -0.61 -0.13 0.00 -0.13 0.00 0.00 55.73 54.99 3i1t s ARG 76 Cb 0.03 0.30 0.18 0.00 -1.56 0.00 0.00 34.95 33.89 3i1t s ARG 76 CO -0.04 -0.21 1.04 0.54 -0.81 0.00 0.00 175.30 175.83 3i1t n ARG 77 N 0.67 -0.99 -2.79 5.12 1.74 -1.22 -5.07 116.66 114.12 3i1t n ARG 77 Ca -0.19 -1.64 -0.21 0.00 -0.77 0.00 0.00 57.85 55.04 3i1t n ARG 77 Cb 0.59 -1.06 0.06 0.00 -1.02 0.00 0.00 32.46 31.03 3i1t n ARG 77 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i1t s SER 78 N -4.83 4.97 -0.20 0.55 0.15 -1.26 -4.69 113.70 108.40 3i1t s SER 78 Ca 0.59 -0.42 -0.11 0.00 0.70 0.00 0.00 55.95 56.71 3i1t s SER 78 Cb -0.02 -0.23 -0.05 0.00 -1.71 0.00 0.00 66.02 64.01 3i1t s SER 78 CO 0.42 -1.38 0.17 -1.81 1.20 0.00 0.00 173.24 171.84 3i1t s ASP 79 N -4.58 6.24 0.35 5.45 1.01 -1.26 -2.64 116.67 121.24 3i1t s ASP 79 Ca 0.61 0.26 0.09 0.00 0.71 0.00 0.00 52.55 54.22 3i1t s ASP 79 Cb -0.07 -2.11 -0.05 0.00 1.01 0.00 0.00 42.92 41.69 3i1t s ASP 79 CO 0.40 0.13 0.04 -1.66 0.21 0.00 0.00 175.17 174.29 3i1t s TRP 80 N 0.56 2.56 -0.06 4.23 1.48 -1.06 -4.97 118.94 121.67 3i1t s TRP 80 Ca 0.10 -0.47 0.03 0.00 -1.06 0.00 0.00 56.10 54.70 3i1t s TRP 80 Cb -0.12 -1.57 -0.02 0.00 -1.16 0.00 0.00 33.47 30.60 3i1t s TRP 80 CO 0.01 0.43 -0.15 0.21 -4.06 0.00 0.00 176.95 173.39 3i1t s LYS 81 N -3.74 2.63 0.64 3.25 2.20 -1.26 -1.77 119.74 121.68 3i1t s LYS 81 Ca 0.36 -0.71 0.04 0.00 -0.36 0.00 0.00 55.97 55.30 3i1t s LYS 81 Cb 0.01 -2.40 0.10 0.00 -1.51 0.00 0.00 37.83 34.03 3i1t s LYS 81 CO 0.20 0.55 0.88 0.15 -0.36 0.00 0.00 175.35 176.78 3i1t s LYS 82 N -0.55 2.01 0.01 4.03 1.02 -0.38 -2.73 119.74 123.15 3i1t s LYS 82 Ca 0.08 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 54.74 3i1t s LYS 82 Cb -0.11 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 3i1t s LYS 82 CO 0.01 -1.13 0.00 0.00 -0.92 0.00 0.00 175.35 173.31 3i1t n ALA 83 N -2.53 3.00 -2.73 5.17 0.00 -1.09 -3.98 120.51 118.34 3i1t n ALA 83 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.53 3i1t n ALA 83 Cb 0.61 0.02 0.01 0.00 0.00 0.00 0.00 19.45 20.08 3i1t n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i1t n TYR 84 N -2.56 -2.98 -0.03 0.00 4.02 -1.25 -3.14 117.16 111.20 3i1t n TYR 84 Ca 0.00 1.19 -0.10 0.00 -0.01 0.00 0.00 57.90 58.97 3i1t n TYR 84 Cb 0.00 -3.80 -0.04 0.00 -0.02 0.00 0.00 39.34 35.48 3i1t n TYR 84 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3i1t h VAL 85 N 1.44 1.06 -3.47 -0.72 2.07 -1.82 -2.22 116.25 112.60 3i1t h VAL 85 Ca 0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3i1t h VAL 85 Cb 0.91 0.84 0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3i1t h VAL 85 CO 0.20 0.06 -0.04 0.35 0.02 0.00 0.00 177.57 178.15 3i1t n THR 86 N -4.95 -2.75 -1.55 2.57 -2.24 -1.26 -3.99 114.28 100.10 3i1t n THR 86 Ca -0.04 -0.10 -0.39 0.00 -2.27 0.00 0.00 64.05 61.25 3i1t n THR 86 Cb 0.04 -4.06 0.03 0.00 -2.10 0.00 0.00 70.33 64.25 3i1t n THR 86 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3i1t n LEU 87 N -1.32 2.14 0.00 3.22 0.00 -1.26 -4.40 117.00 115.38 3i1t n LEU 87 Ca -0.00 0.84 0.00 0.00 0.00 0.00 0.00 56.01 56.85 3i1t n LEU 87 Cb 0.51 -1.28 0.00 0.00 0.00 0.00 0.00 43.42 42.64 3i1t n LEU 87 CO 0.11 -2.27 0.00 0.29 0.00 0.00 0.00 177.39 175.51 3i1t n LYS 88 N -0.29 0.00 0.03 1.96 5.02 -1.26 -4.71 118.16 118.91 3i1t n LYS 88 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3i1t n LYS 88 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.46 3i1t n LYS 88 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i1t n GLU 89 N 0.00 0.00 -2.03 1.97 1.02 -1.26 -4.97 120.64 115.37 3i1t n GLU 89 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 3i1t n GLU 89 Cb 0.00 -0.10 -0.06 0.00 -0.02 0.00 0.00 31.44 31.25 3i1t n GLU 89 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3i1t s GLY 90 N -4.95 0.07 -0.05 0.62 0.00 -1.26 -4.91 107.32 96.84 3i1t s GLY 90 Ca 0.00 -2.02 -0.36 0.00 0.00 0.00 0.00 44.72 42.34 3i1t s GLY 90 CO 0.00 3.61 1.69 -1.06 0.00 0.00 0.00 173.10 177.34 3i1t n GLN 91 N 8.35 1.75 0.00 2.90 1.13 -1.26 -4.88 117.38 125.37 3i1t n GLN 91 Ca 0.44 0.64 0.00 0.00 -1.94 0.00 0.00 57.00 56.14 3i1t n GLN 91 Cb 0.47 -2.40 0.00 0.00 0.11 0.00 0.00 30.24 28.42 3i1t n GLN 91 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3i1t n ASN 92 N 4.96 0.00 0.00 1.08 3.02 -1.26 -5.21 115.26 117.85 3i1t n ASN 92 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 3i1t n ASN 92 Cb 0.24 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 3i1t n ASN 92 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82