#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t n LEU 3 N 0.00 1.86 0.00 6.15 -0.00 -1.26 -4.71 117.00 119.03 3i1t n LEU 3 Ca 0.00 0.48 0.00 0.00 -0.00 0.00 0.00 56.01 56.49 3i1t n LEU 3 Cb 0.00 -0.90 0.00 0.00 -0.00 0.00 0.00 43.42 42.52 3i1t n LEU 3 CO 0.00 0.01 0.00 -3.20 -0.00 0.00 0.00 177.39 174.20 3i1t n ASN 4 N -4.48 0.00 -3.49 1.45 4.05 -1.26 -1.05 115.26 110.49 3i1t n ASN 4 Ca -0.25 0.00 -0.38 0.00 0.45 0.00 0.00 54.58 54.40 3i1t n ASN 4 Cb 0.55 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.49 3i1t n ASN 4 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 3i1t n THR 5 N 0.00 1.22 -3.61 -0.44 -2.24 -1.26 -4.74 114.28 103.22 3i1t n THR 5 Ca 0.00 -0.99 -0.20 0.00 -2.27 0.00 0.00 64.05 60.59 3i1t n THR 5 Cb 0.00 -2.14 -0.16 0.00 -2.10 0.00 0.00 70.33 65.93 3i1t n THR 5 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3i1t s LEU 6 N 0.61 0.05 0.23 3.22 0.20 -0.21 -5.15 118.68 117.63 3i1t s LEU 6 Ca 0.54 -0.10 0.05 0.00 0.69 0.00 0.00 54.13 55.31 3i1t s LEU 6 Cb 0.13 0.12 -0.05 0.00 -0.43 0.00 0.00 46.19 45.96 3i1t s LEU 6 CO 0.16 -0.30 -0.03 -0.94 -0.29 0.00 0.00 176.35 174.95 3i1t s SER 7 N 2.25 2.09 0.89 3.68 1.04 -1.26 -5.14 113.70 117.25 3i1t s SER 7 Ca 0.04 -1.18 -0.14 0.00 0.48 0.00 0.00 55.95 55.15 3i1t s SER 7 Cb -0.14 -0.04 0.14 0.00 0.10 0.00 0.00 66.02 66.08 3i1t s SER 7 CO -0.08 -0.44 1.25 -2.16 0.98 0.00 0.00 173.24 172.79 3i1t s PRO 8 N -3.81 1.25 1.08 4.02 0.04 -1.26 -5.03 135.00 131.28 3i1t s PRO 8 Ca 0.27 -0.14 -0.17 0.00 0.04 0.00 0.00 61.00 61.00 3i1t s PRO 8 Cb 0.05 -1.89 0.09 0.00 0.04 0.00 0.00 34.50 32.78 3i1t s PRO 8 CO 0.08 -2.05 0.11 0.00 0.04 0.00 0.00 177.00 175.19 3i1t n ALA 9 N -3.57 -3.76 -2.71 8.56 0.00 -1.26 -4.94 120.51 112.83 3i1t n ALA 9 Ca 0.11 -1.11 -0.38 0.00 0.00 0.00 0.00 53.44 52.06 3i1t n ALA 9 Cb 0.60 -1.59 -0.06 0.00 0.00 0.00 0.00 19.45 18.40 3i1t n ALA 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3i1t s GLU 10 N -3.49 4.37 -1.35 0.00 2.12 -1.26 -3.77 118.70 115.31 3i1t s GLU 10 Ca 0.56 0.59 0.00 0.00 0.36 0.00 0.00 54.97 56.48 3i1t s GLU 10 Cb -0.14 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.81 3i1t s GLU 10 CO 0.67 0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.93 3i1t n GLY 11 N 3.19 1.30 0.15 -1.50 0.00 -1.26 -4.85 105.19 102.21 3i1t n GLY 11 Ca -0.05 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.92 3i1t n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i1t h SER 12 N 0.00 0.00 -3.50 1.61 4.64 -1.94 -3.44 113.55 110.93 3i1t h SER 12 Ca -0.26 -0.03 -0.66 0.00 -0.47 0.00 0.00 61.79 60.37 3i1t h SER 12 Cb 1.02 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.94 3i1t h SER 12 CO 0.38 0.02 -0.79 -0.54 -0.87 0.00 0.00 176.83 175.03 3i1t s LYS 13 N -3.20 1.81 -0.07 4.77 -0.14 -1.26 -5.05 119.74 116.60 3i1t s LYS 13 Ca 0.07 -1.24 0.20 0.00 -1.36 0.00 0.00 55.97 53.63 3i1t s LYS 13 Cb 0.09 -2.09 0.41 0.00 -1.68 0.00 0.00 37.83 34.56 3i1t s LYS 13 CO 0.67 0.46 1.18 1.63 -0.76 0.00 0.00 175.35 178.53 3i1t n LYS 14 N 0.56 0.56 0.00 1.68 4.76 -1.26 -5.11 118.16 119.35 3i1t n LYS 14 Ca -0.14 -2.42 0.00 0.00 -2.87 0.00 0.00 58.31 52.88 3i1t n LYS 14 Cb 0.54 -0.59 0.00 0.00 -1.84 0.00 0.00 35.03 33.14 3i1t n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i1t n ALA 15 N -0.09 0.00 -3.20 7.82 0.00 -1.26 -4.82 120.51 118.96 3i1t n ALA 15 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.34 3i1t n ALA 15 Cb 0.97 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.26 3i1t n ALA 15 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i1t s GLY 16 N -5.63 0.53 -0.35 0.00 0.00 -1.26 -5.09 107.32 95.52 3i1t s GLY 16 Ca 0.00 -0.27 -0.37 0.00 0.00 0.00 0.00 44.72 44.08 3i1t s GLY 16 CO 0.00 0.04 2.13 0.58 0.00 0.00 0.00 173.10 175.85 3i1t n LYS 17 N 3.49 0.97 0.08 2.90 2.85 -1.26 -4.86 118.16 122.33 3i1t n LYS 17 Ca -0.20 0.28 -0.03 0.00 -1.05 0.00 0.00 58.31 57.30 3i1t n LYS 17 Cb 0.53 -2.30 -0.02 0.00 -0.65 0.00 0.00 35.03 32.60 3i1t n LYS 17 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3i1t h ARG 18 N 11.30 -0.21 -1.42 -1.58 2.47 -1.99 -3.50 114.38 119.44 3i1t h ARG 18 Ca -0.27 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 3i1t h ARG 18 Cb 1.33 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.70 3i1t h ARG 18 CO 1.02 -0.14 -0.21 -0.11 0.56 0.00 0.00 179.97 181.09 3i1t n LEU 19 N -2.99 -2.94 -2.33 3.04 7.94 -1.26 -4.93 117.00 113.53 3i1t n LEU 19 Ca -0.03 0.73 -0.07 0.00 -1.11 0.00 0.00 56.01 55.53 3i1t n LEU 19 Cb 0.09 -0.87 0.03 0.00 0.53 0.00 0.00 43.42 43.20 3i1t n LEU 19 CO 0.07 -0.29 0.02 0.61 -1.11 0.00 0.00 177.39 176.68 3i1t n GLY 20 N 0.15 -0.08 3.30 -3.96 0.00 -1.23 -4.89 105.19 98.48 3i1t n GLY 20 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 46.02 46.17 3i1t n GLY 20 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i1t s ARG 21 N -3.71 0.35 0.02 1.61 1.70 -1.26 -4.64 118.95 113.02 3i1t s ARG 21 Ca 0.21 0.76 0.00 0.00 -0.47 0.00 0.00 55.73 56.23 3i1t s ARG 21 Cb -0.03 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.79 3i1t s ARG 21 CO 0.35 -0.25 0.00 0.41 -1.08 0.00 0.00 175.30 174.73 3i1t n GLY 22 N 5.27 -3.04 0.38 3.88 0.00 -1.26 -4.38 105.19 106.04 3i1t n GLY 22 Ca -0.07 -1.75 -0.17 0.00 0.00 0.00 0.00 46.02 44.03 3i1t n GLY 22 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i1t n ILE 23 N -0.61 0.93 0.26 -0.61 -0.00 -1.26 -3.47 119.36 114.60 3i1t n ILE 23 Ca 0.00 -0.27 0.12 0.00 -0.00 0.00 0.00 62.75 62.61 3i1t n ILE 23 Cb 0.00 -1.58 0.70 0.00 -0.00 0.00 0.00 39.64 38.76 3i1t n ILE 23 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 3i1t h GLY 24 N -0.18 0.00 0.32 7.39 0.00 -2.00 -1.52 103.07 107.08 3i1t h GLY 24 Ca -0.42 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.15 3i1t h GLY 24 CO -0.22 0.00 0.61 1.48 0.00 0.00 0.00 176.54 178.42 3i1t h SER 25 N 0.00 0.00 0.00 0.19 4.64 -1.81 -3.45 113.55 113.12 3i1t h SER 25 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i1t h SER 25 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3i1t h SER 25 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 3i1t n GLY 26 N -1.67 0.55 0.00 -0.77 0.00 -0.57 -4.80 105.19 97.93 3i1t n GLY 26 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3i1t n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1t n LEU 27 N 0.00 0.00 -4.31 0.99 4.77 -1.26 -4.98 117.00 112.20 3i1t n LEU 27 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 3i1t n LEU 27 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 3i1t n LEU 27 CO 0.00 0.00 -0.41 0.61 -1.33 0.00 0.00 177.39 176.26 3i1t n GLY 28 N 0.00 -2.63 2.70 -0.72 0.00 -1.23 -3.57 105.19 99.75 3i1t n GLY 28 Ca 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.56 3i1t n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1t n LYS 29 N 0.47 -3.88 -1.93 1.61 4.81 -1.26 -4.79 118.16 113.20 3i1t n LYS 29 Ca 0.07 3.00 0.00 0.00 -0.87 0.00 0.00 58.31 60.51 3i1t n LYS 29 Cb 0.50 -4.56 0.00 0.00 0.02 0.00 0.00 35.03 31.00 3i1t n LYS 29 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3i1t n THR 30 N 1.57-10.10 -1.81 3.15 -2.24 -1.26 -4.71 114.28 98.88 3i1t n THR 30 Ca -0.27 2.25 -0.36 0.00 -2.27 0.00 0.00 64.05 63.39 3i1t n THR 30 Cb 0.44 -5.15 -0.05 0.00 -2.10 0.00 0.00 70.33 63.48 3i1t n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1t n GLY 31 N 1.29 2.03 3.83 3.38 0.00 -1.26 -4.14 105.19 110.33 3i1t n GLY 31 Ca 0.00 -1.06 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 3i1t n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1t n GLY 32 N 5.18 -0.28 0.00 -0.02 0.00 -1.26 -4.89 105.19 103.92 3i1t n GLY 32 Ca 0.48 0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.64 3i1t n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1t n ARG 33 N -4.36 2.15 0.00 1.61 1.74 -1.26 -5.13 116.66 111.42 3i1t n ARG 33 Ca -0.27 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 3i1t n ARG 33 Cb 0.67 -0.89 0.00 0.00 -1.02 0.00 0.00 32.46 31.21 3i1t n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i1t n GLY 34 N 1.95 -0.69 3.69 -0.13 0.00 -1.26 -4.87 105.19 103.88 3i1t n GLY 34 Ca -0.00 -1.21 -0.26 0.00 0.00 0.00 0.00 46.02 44.54 3i1t n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i1t s HIS 35 N 0.00 2.53 0.00 1.61 0.09 -1.26 -4.88 115.29 113.39 3i1t s HIS 35 Ca 0.00 -0.64 0.00 0.00 -0.00 0.00 0.00 55.06 54.42 3i1t s HIS 35 Cb 0.00 -1.87 0.00 0.00 -0.00 0.00 0.00 32.58 30.71 3i1t s HIS 35 CO 0.00 0.30 0.00 1.63 -0.00 0.00 0.00 174.74 176.67 3i1t n LYS 36 N -1.12 0.00 0.00 1.40 5.02 -1.26 -4.96 118.16 117.23 3i1t n LYS 36 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3i1t n LYS 36 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.67 3i1t n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1t n GLY 37 N 0.00 -1.61 0.10 0.72 0.00 -1.26 -4.35 105.19 98.79 3i1t n GLY 37 Ca 0.00 -1.55 -0.15 0.00 0.00 0.00 0.00 46.02 44.32 3i1t n GLY 37 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3i1t h GLN 38 N 0.00 0.18 -1.51 1.61 4.15 -1.96 -3.33 115.11 114.25 3i1t h GLN 38 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.24 3i1t h GLN 38 Cb 0.00 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.74 3i1t h GLN 38 CO 0.00 0.89 0.00 1.63 -1.93 0.00 0.00 178.83 179.42 3i1t n LYS 39 N -4.52 0.00 0.00 1.69 5.02 -1.26 -3.49 118.16 115.60 3i1t n LYS 39 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 3i1t n LYS 39 Cb 0.49 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 3i1t n LYS 39 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3i1t n SER 40 N 0.86 0.00 0.00 4.39 3.41 -1.25 -4.98 113.62 116.06 3i1t n SER 40 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3i1t n SER 40 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3i1t n SER 40 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i1t n ARG 41 N 0.00 0.00 -1.23 4.33 5.12 -1.23 -4.23 116.66 119.43 3i1t n ARG 41 Ca 0.00 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.51 3i1t n ARG 41 Cb 0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.18 3i1t n ARG 41 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3i1t n SER 42 N 0.99 0.38 -1.33 0.55 2.88 -1.26 -0.65 113.62 115.18 3i1t n SER 42 Ca 0.00 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 3i1t n SER 42 Cb 0.00 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 3i1t n SER 42 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i1t n GLY 43 N 5.90 0.38 2.77 0.46 0.00 -1.26 -5.08 105.19 108.35 3i1t n GLY 43 Ca 0.54 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 3i1t n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i1t s GLY 44 N -2.45 0.30 0.00 -0.02 0.00 0.18 -5.06 107.32 100.27 3i1t s GLY 44 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.81 3i1t s GLY 44 CO 0.00 0.95 0.00 0.61 0.00 0.00 0.00 173.10 174.66 3i1t n GLY 45 N 4.71 4.03 3.65 0.20 0.00 -1.26 -4.52 105.19 112.00 3i1t n GLY 45 Ca -0.15 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 3i1t n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i1t s VAL 46 N -1.96 1.69 0.30 1.61 -7.23 -1.26 -5.04 120.40 108.51 3i1t s VAL 46 Ca 0.00 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.15 3i1t s VAL 46 Cb 0.00 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 3i1t s VAL 46 CO 0.00 0.00 0.53 0.00 -0.31 0.00 0.00 175.10 175.32 3i1t s ARG 47 N -5.43 3.55 -0.71 4.82 1.04 -1.26 -4.96 118.95 115.99 3i1t s ARG 47 Ca 0.71 -0.20 -0.25 0.00 -1.04 0.00 0.00 55.73 54.95 3i1t s ARG 47 Cb -0.10 -2.68 -0.13 0.00 -2.04 0.00 0.00 34.95 30.00 3i1t s ARG 47 CO 0.56 0.21 2.41 2.89 -0.04 0.00 0.00 175.30 181.33 3i1t n ARG 48 N -1.29 0.66 0.00 3.89 1.85 -1.26 -1.86 116.66 118.65 3i1t n ARG 48 Ca -0.03 -0.49 0.00 0.00 -1.00 0.00 0.00 57.85 56.33 3i1t n ARG 48 Cb 0.55 -3.36 0.00 0.00 -1.05 0.00 0.00 32.46 28.59 3i1t n ARG 48 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i1t n GLY 49 N 6.45 -0.89 3.86 2.89 0.00 -1.26 -5.14 105.19 111.11 3i1t n GLY 49 Ca 0.46 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.13 3i1t n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i1t s PHE 50 N 0.00 3.52 -0.07 1.61 5.99 -0.78 -4.82 117.98 123.43 3i1t s PHE 50 Ca 0.00 0.41 0.14 0.00 0.00 0.00 0.00 56.93 57.48 3i1t s PHE 50 Cb 0.00 -1.87 0.27 0.00 0.00 0.00 0.00 43.02 41.43 3i1t s PHE 50 CO 0.00 0.67 1.13 0.39 -0.00 0.00 0.00 175.22 177.40 3i1t n GLU 51 N 1.53 0.56 -0.00 10.12 1.02 -1.26 -4.92 120.64 127.68 3i1t n GLU 51 Ca -0.16 -2.08 0.00 0.00 -0.02 0.00 0.00 57.16 54.90 3i1t n GLU 51 Cb 0.54 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 31.20 3i1t n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i1t n GLY 52 N -0.34 0.25 0.00 0.62 0.00 -1.26 -4.07 105.19 100.39 3i1t n GLY 52 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3i1t n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1t n GLY 53 N -2.00 1.75 3.67 -0.02 0.00 -1.26 -5.08 105.19 102.26 3i1t n GLY 53 Ca 0.00 -0.21 -0.49 0.00 0.00 0.00 0.00 46.02 45.32 3i1t n GLY 53 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i1t n GLN 54 N 0.00 2.01 -0.88 1.61 7.27 -1.26 -4.71 117.38 121.42 3i1t n GLN 54 Ca 0.00 0.73 -0.38 0.00 0.07 0.00 0.00 57.00 57.43 3i1t n GLN 54 Cb 0.00 -2.53 -0.09 0.00 2.41 0.00 0.00 30.24 30.04 3i1t n GLN 54 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 3i1t n MET 55 N 5.20 0.00 -0.90 3.69 0.00 -1.26 -4.63 117.12 119.22 3i1t n MET 55 Ca 0.21 0.00 -0.34 0.00 -0.00 0.00 0.00 57.70 57.56 3i1t n MET 55 Cb 0.27 -1.01 0.08 0.00 0.00 0.00 0.00 33.22 32.56 3i1t n MET 55 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3i1t n PRO 56 N 5.22 -0.15 -0.19 2.12 -0.02 -1.26 -4.28 135.00 136.44 3i1t n PRO 56 Ca 0.39 -0.02 -0.04 0.00 -2.02 0.00 0.00 63.50 61.80 3i1t n PRO 56 Cb -0.02 -1.48 0.06 0.00 -0.02 0.00 0.00 33.50 32.03 3i1t n PRO 56 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i1t h LEU 57 N -1.28 0.51 -1.73 2.45 5.85 -1.88 0.22 115.31 119.45 3i1t h LEU 57 Ca -0.44 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 3i1t h LEU 57 Cb 1.29 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 3i1t h LEU 57 CO 0.30 0.35 -0.08 0.10 -0.34 0.00 0.00 178.44 178.77 3i1t h TYR 58 N 0.63 0.00 0.01 1.25 -0.00 -1.89 -2.05 116.97 114.93 3i1t h TYR 58 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 58.73 58.67 3i1t h TYR 58 Cb 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 36.76 3i1t h TYR 58 CO -0.07 0.08 -1.67 0.00 -0.00 0.00 0.00 178.16 176.50 3i1t h ARG 59 N 0.00 0.03 -0.46 0.10 3.08 -1.47 -3.34 114.38 112.32 3i1t h ARG 59 Ca -0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3i1t h ARG 59 Cb 0.44 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3i1t h ARG 59 CO 0.01 0.60 0.21 0.00 -1.07 0.00 0.00 179.97 179.72 3i1t h ARG 60 N 0.01 0.67 -6.53 0.04 3.08 -0.34 -3.44 114.38 107.87 3i1t h ARG 60 Ca -0.27 -0.10 -0.53 0.00 0.07 0.00 0.00 59.98 59.15 3i1t h ARG 60 Cb 2.00 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.90 3i1t h ARG 60 CO 0.09 0.58 0.18 -0.51 -1.07 0.00 0.00 179.97 179.23 3i1t s LEU 61 N -9.85 4.59 0.00 3.04 1.02 -0.80 -5.08 118.68 111.60 3i1t s LEU 61 Ca -0.13 1.64 -0.01 0.00 0.02 0.00 0.00 54.13 55.65 3i1t s LEU 61 Cb 0.11 -3.30 0.02 0.00 0.02 0.00 0.00 46.19 43.03 3i1t s LEU 61 CO 0.76 0.21 0.07 -0.81 0.02 0.00 0.00 176.35 176.59 3i1t n PRO 62 N 1.57 -0.86 -3.80 1.29 -0.04 -1.26 -4.84 135.00 127.05 3i1t n PRO 62 Ca -0.06 -0.11 -0.27 0.00 -0.04 0.00 0.00 63.50 63.03 3i1t n PRO 62 Cb 0.49 -0.09 -0.17 0.00 -0.04 0.00 0.00 33.50 33.69 3i1t n PRO 62 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3i1t s LYS 63 N -3.15 0.93 -0.08 0.54 -2.85 -1.26 -4.98 119.74 108.88 3i1t s LYS 63 Ca 0.04 -0.34 0.01 0.00 -1.00 0.00 0.00 55.97 54.67 3i1t s LYS 63 Cb -0.00 -1.82 0.11 0.00 -2.06 0.00 0.00 37.83 34.05 3i1t s LYS 63 CO 0.03 -0.49 1.30 1.97 0.10 0.00 0.00 175.35 178.26 3i1t n PHE 64 N 5.00 0.53 -1.12 1.78 1.16 -1.26 -4.97 117.46 118.59 3i1t n PHE 64 Ca -0.10 -0.84 -0.36 0.00 -1.87 0.00 0.00 57.45 54.29 3i1t n PHE 64 Cb 0.48 -0.42 0.02 0.00 -1.61 0.00 0.00 39.48 37.94 3i1t n PHE 64 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3i1t n GLY 65 N 0.36 -3.30 0.00 4.97 0.00 -1.26 -5.01 105.19 100.96 3i1t n GLY 65 Ca 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3i1t n GLY 65 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3i1t n PHE 66 N -1.60 0.00 -4.11 1.61 7.35 -1.26 -5.18 117.46 114.26 3i1t n PHE 66 Ca 0.06 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.64 3i1t n PHE 66 Cb 0.46 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.18 3i1t n PHE 66 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3i1t s THR 67 N -2.00 0.54 -0.03 -2.13 -4.23 -1.26 -5.07 115.64 101.45 3i1t s THR 67 Ca 0.00 -1.61 -0.19 0.00 -1.18 0.00 0.00 61.69 58.70 3i1t s THR 67 Cb 0.00 -1.27 -0.13 0.00 1.34 0.00 0.00 72.50 72.44 3i1t s THR 67 CO 0.00 -0.73 0.84 0.28 -0.54 0.00 0.00 174.62 174.46 3i1t h SER 68 N 3.53 -0.34 -0.44 3.99 0.02 -2.02 -3.47 113.55 114.81 3i1t h SER 68 Ca -0.35 -0.17 -0.19 0.00 -0.84 0.00 0.00 61.79 60.24 3i1t h SER 68 Cb 1.17 0.09 -0.07 0.00 0.14 0.00 0.00 62.40 63.73 3i1t h SER 68 CO 0.57 0.13 -0.17 0.54 -1.14 0.00 0.00 176.83 176.75 3i1t n ARG 69 N -5.06 -1.38 -0.65 3.45 5.12 -1.26 -4.68 116.66 112.20 3i1t n ARG 69 Ca -0.08 0.78 -0.00 0.00 -1.93 0.00 0.00 57.85 56.62 3i1t n ARG 69 Cb 0.25 -5.00 -0.00 0.00 -1.16 0.00 0.00 32.46 26.55 3i1t n ARG 69 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3i1t n LYS 70 N -1.26 0.00 0.00 5.56 4.81 -1.26 -4.84 118.16 121.17 3i1t n LYS 70 Ca -0.09 -0.77 0.00 0.00 -0.87 0.00 0.00 58.31 56.58 3i1t n LYS 70 Cb 0.49 -0.19 0.00 0.00 0.02 0.00 0.00 35.03 35.35 3i1t n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1t n ALA 71 N 0.06 1.41 0.33 3.14 0.00 -1.26 -4.03 120.51 120.15 3i1t n ALA 71 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.48 3i1t n ALA 71 Cb 0.68 0.05 0.27 0.00 0.00 0.00 0.00 19.45 20.46 3i1t n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t n ALA 72 N -1.13 1.44 0.00 0.00 0.00 -1.26 -2.45 120.51 117.12 3i1t n ALA 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1t n ALA 72 Cb 0.10 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3i1t n ALA 72 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3i1t n ILE 73 N -1.66 0.00 -2.86 0.00 -5.35 -1.26 -4.79 119.36 103.43 3i1t n ILE 73 Ca 0.02 -0.11 -0.42 0.00 -0.27 0.00 0.00 62.75 61.96 3i1t n ILE 73 Cb 0.12 0.59 -0.04 0.00 -1.74 0.00 0.00 39.64 38.57 3i1t n ILE 73 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3i1t s THR 74 N -1.54 4.65 0.53 7.28 2.01 -1.02 -0.90 115.64 126.64 3i1t s THR 74 Ca 0.00 1.11 0.05 0.00 0.31 0.00 0.00 61.69 63.16 3i1t s THR 74 Cb 0.00 -4.28 0.09 0.00 0.01 0.00 0.00 72.50 68.33 3i1t s THR 74 CO 0.00 -0.47 0.73 0.00 -0.69 0.00 0.00 174.62 174.18 3i1t n ALA 75 N 6.60 0.73 -3.70 7.40 0.00 0.94 -4.76 120.51 127.73 3i1t n ALA 75 Ca 0.06 -1.71 -0.23 0.00 0.00 0.00 0.00 53.44 51.56 3i1t n ALA 75 Cb 0.48 0.40 -0.18 0.00 0.00 0.00 0.00 19.45 20.16 3i1t n ALA 75 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3i1t s GLU 76 N -4.35 0.23 0.35 0.00 -1.05 -1.26 -2.48 118.70 110.14 3i1t s GLU 76 Ca 0.52 0.14 -0.11 0.00 -0.15 0.00 0.00 54.97 55.38 3i1t s GLU 76 Cb -0.04 -1.03 -0.07 0.00 -0.44 0.00 0.00 34.13 32.55 3i1t s GLU 76 CO 0.34 -0.41 0.71 0.42 0.95 0.00 0.00 175.26 177.27 3i1t s ILE 77 N 2.07 4.81 0.22 1.83 1.01 -1.16 -4.93 121.20 125.05 3i1t s ILE 77 Ca 0.04 0.61 0.11 0.00 0.00 0.00 0.00 60.65 61.41 3i1t s ILE 77 Cb -0.13 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 3i1t s ILE 77 CO -0.05 -0.36 -0.20 -0.13 0.00 0.00 0.00 174.94 174.20 3i1t s ARG 78 N -3.47 1.67 0.00 2.79 0.52 -1.25 -3.91 118.95 115.30 3i1t s ARG 78 Ca 0.51 -1.56 0.00 0.00 -0.52 0.00 0.00 55.73 54.16 3i1t s ARG 78 Cb -0.10 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.49 3i1t s ARG 78 CO 0.26 0.38 0.39 -0.11 0.02 0.00 0.00 175.30 176.24 3i1t n LEU 79 N -0.06 0.04 -1.02 2.53 0.00 -1.26 -0.31 117.00 116.91 3i1t n LEU 79 Ca -0.10 -0.02 0.08 0.00 0.00 0.00 0.00 56.01 55.97 3i1t n LEU 79 Cb 0.57 -0.02 0.25 0.00 0.00 0.00 0.00 43.42 44.22 3i1t n LEU 79 CO 0.33 0.01 0.71 -1.54 0.00 0.00 0.00 177.39 176.90 3i1t n SER 80 N -0.42 3.82 0.00 1.96 3.41 -1.26 -2.26 113.62 118.87 3i1t n SER 80 Ca 0.00 -2.48 0.00 0.00 -0.26 0.00 0.00 58.87 56.13 3i1t n SER 80 Cb 0.01 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 3i1t n SER 80 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3i1t n ASP 81 N 0.36 0.00 0.00 4.04 8.00 0.57 -4.72 116.55 124.80 3i1t n ASP 81 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.69 3i1t n ASP 81 Cb 0.73 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 3i1t n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3i1t n LEU 82 N 0.00 0.00 -0.13 0.64 4.32 -1.26 0.22 117.00 120.79 3i1t n LEU 82 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.95 3i1t n LEU 82 Cb 0.00 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 41.82 3i1t n LEU 82 CO 0.00 0.00 0.81 0.00 -1.22 0.00 0.00 177.39 176.98 3i1t h ALA 83 N 0.00 0.32 -1.74 -1.18 0.00 -1.78 -3.38 119.26 111.50 3i1t h ALA 83 Ca 0.00 0.15 -0.55 0.00 0.00 0.00 0.00 54.91 54.51 3i1t h ALA 83 Cb 0.00 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3i1t h ALA 83 CO 0.00 -0.43 1.33 0.21 0.00 0.00 0.00 179.25 180.36 3i1t s LYS 84 N -6.20 3.03 0.00 0.00 2.20 0.13 -4.44 119.74 114.46 3i1t s LYS 84 Ca -0.14 1.21 0.00 0.00 -0.36 0.00 0.00 55.97 56.68 3i1t s LYS 84 Cb 0.15 -4.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.18 3i1t s LYS 84 CO 0.71 -2.23 0.00 1.55 -0.36 0.00 0.00 175.35 175.02 3i1t n VAL 85 N 7.41 0.00 0.00 4.02 3.14 -1.26 -4.86 118.33 126.78 3i1t n VAL 85 Ca 0.23 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.61 3i1t n VAL 85 Cb 0.49 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.27 3i1t n VAL 85 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3i1t n GLU 86 N 0.00 0.00 0.00 1.45 -0.58 -1.26 -4.45 120.64 115.80 3i1t n GLU 86 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3i1t n GLU 86 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3i1t n GLU 86 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i1t n GLY 87 N 0.00 -1.16 3.53 0.62 0.00 -1.26 -5.10 105.19 101.82 3i1t n GLY 87 Ca 0.00 0.44 -0.31 0.00 0.00 0.00 0.00 46.02 46.15 3i1t n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1t n GLY 88 N 0.00 -0.22 1.58 -0.02 0.00 -1.26 -4.65 105.19 100.63 3i1t n GLY 88 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.65 3i1t n GLY 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3i1t n VAL 89 N 7.53 -2.82 -2.78 1.61 3.14 -1.26 -4.70 118.33 119.05 3i1t n VAL 89 Ca 0.54 1.41 -0.41 0.00 -2.96 0.00 0.00 64.34 62.92 3i1t n VAL 89 Cb 0.29 -2.35 0.01 0.00 -1.06 0.00 0.00 33.84 30.73 3i1t n VAL 89 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 3i1t n VAL 90 N -2.63 5.72 -0.80 1.55 0.31 -0.52 -4.97 118.33 116.99 3i1t n VAL 90 Ca -0.00 -5.95 -0.33 0.00 -0.01 0.00 0.00 64.34 58.04 3i1t n VAL 90 Cb 0.47 -1.72 0.12 0.00 -0.91 0.00 0.00 33.84 31.80 3i1t n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3i1t n ASP 91 N 0.38 -2.68 -0.04 4.52 -0.08 -1.26 -2.64 116.55 114.75 3i1t n ASP 91 Ca 0.39 0.20 -0.01 0.00 -1.51 0.00 0.00 54.79 53.86 3i1t n ASP 91 Cb 0.29 -1.07 -0.01 0.00 2.34 0.00 0.00 41.12 42.67 3i1t n ASP 91 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3i1t n LEU 92 N -0.62 -0.11 0.00 -2.67 4.77 -1.08 -4.38 117.00 112.91 3i1t n LEU 92 Ca 0.04 0.91 0.00 0.00 -0.03 0.00 0.00 56.01 56.92 3i1t n LEU 92 Cb 0.57 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3i1t n LEU 92 CO 0.51 -0.51 0.00 -0.46 -1.33 0.00 0.00 177.39 175.60 3i1t n ASN 93 N -3.11 0.00 0.00 -1.43 6.94 -1.26 -4.73 115.26 111.68 3i1t n ASN 93 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 3i1t n ASN 93 Cb 0.03 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 3i1t n ASN 93 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3i1t n THR 94 N 0.00 0.00 -0.35 5.53 -1.04 -1.26 -4.20 114.28 112.96 3i1t n THR 94 Ca 0.00 0.00 0.26 0.00 -2.04 0.00 0.00 64.05 62.27 3i1t n THR 94 Cb 0.00 0.00 0.53 0.00 -1.82 0.00 0.00 70.33 69.04 3i1t n THR 94 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3i1t h LEU 95 N 0.00 0.43 0.41 -4.42 3.38 -1.83 2.01 115.31 115.29 3i1t h LEU 95 Ca 0.00 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3i1t h LEU 95 Cb 0.00 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3i1t h LEU 95 CO 0.00 0.00 -0.23 0.11 0.09 0.00 0.00 178.44 178.42 3i1t h LYS 96 N 0.33 -0.57 0.00 1.13 1.57 -1.68 -1.57 116.57 115.79 3i1t h LYS 96 Ca 0.67 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.48 3i1t h LYS 96 Cb 1.74 0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.18 3i1t h LYS 96 CO -0.37 -0.38 0.00 0.00 -0.57 0.00 0.00 179.45 178.13 3i1t n ALA 97 N -2.36 1.10 -2.77 3.86 0.00 0.01 -1.96 120.51 118.39 3i1t n ALA 97 Ca -0.07 0.05 -0.34 0.00 0.00 0.00 0.00 53.44 53.07 3i1t n ALA 97 Cb 0.24 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 3i1t n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t n ALA 98 N -1.58 5.41 -2.87 0.00 0.00 0.66 -4.98 120.51 117.15 3i1t n ALA 98 Ca 0.00 -4.65 -0.05 0.00 0.00 0.00 0.00 53.44 48.74 3i1t n ALA 98 Cb 0.03 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.01 3i1t n ALA 98 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3i1t n ASN 99 N -0.16 -0.88 0.00 0.00 0.23 -0.83 -4.71 115.26 108.91 3i1t n ASN 99 Ca 0.39 -0.19 0.00 0.00 -0.53 0.00 0.00 54.58 54.25 3i1t n ASN 99 Cb 0.33 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 3i1t n ASN 99 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i1t n ILE 100 N -1.00 0.00 0.00 1.53 0.13 -0.66 -5.01 119.36 114.35 3i1t n ILE 100 Ca -0.06 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.59 3i1t n ILE 100 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.93 3i1t n ILE 100 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 3i1t n ILE 101 N -0.17 0.00 0.00 9.51 2.08 -1.26 -2.71 119.36 126.81 3i1t n ILE 101 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3i1t n ILE 101 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3i1t n ILE 101 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i1t n GLY 102 N 0.00 2.80 0.35 7.39 0.00 -1.26 -4.79 105.19 109.68 3i1t n GLY 102 Ca 0.00 -1.41 0.18 0.00 0.00 0.00 0.00 46.02 44.79 3i1t n GLY 102 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3i1t h ILE 103 N 0.00 0.22 -0.61 -0.61 -0.00 -1.92 -1.49 117.51 113.11 3i1t h ILE 103 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 64.86 64.81 3i1t h ILE 103 Cb 0.00 0.76 -0.03 0.00 -0.00 0.00 0.00 36.82 37.55 3i1t h ILE 103 CO 0.00 0.00 0.19 1.56 -0.00 0.00 0.00 178.15 179.90 3i1t h GLN 104 N 0.00 0.95 -6.70 0.16 1.08 -1.95 -3.46 115.11 105.20 3i1t h GLN 104 Ca 0.07 -0.21 -0.53 0.00 -1.45 0.00 0.00 58.65 56.53 3i1t h GLN 104 Cb 0.62 -0.14 0.22 0.00 -0.05 0.00 0.00 27.48 28.13 3i1t h GLN 104 CO -0.00 0.84 -0.73 -0.89 -0.95 0.00 0.00 178.83 177.10 3i1t n ILE 105 N -4.39 0.00 -0.79 2.54 2.08 -0.56 -4.85 119.36 113.39 3i1t n ILE 105 Ca 0.04 -0.23 0.00 0.00 0.56 0.00 0.00 62.75 63.12 3i1t n ILE 105 Cb 0.21 -0.55 0.00 0.00 -0.75 0.00 0.00 39.64 38.55 3i1t n ILE 105 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3i1t n GLU 106 N -1.27 0.00 -3.83 0.38 1.02 -0.08 -5.00 120.64 111.86 3i1t n GLU 106 Ca 0.06 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.07 3i1t n GLU 106 Cb 0.54 -0.13 -0.11 0.00 -0.02 0.00 0.00 31.44 31.72 3i1t n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3i1t s PHE 107 N 0.00 -0.12 -0.03 -0.32 0.08 -1.20 -5.00 117.98 111.38 3i1t s PHE 107 Ca 0.00 0.28 -0.01 0.00 0.12 0.00 0.00 56.93 57.32 3i1t s PHE 107 Cb 0.00 0.03 0.03 0.00 -0.57 0.00 0.00 43.02 42.51 3i1t s PHE 107 CO 0.00 -0.16 0.07 0.00 -0.10 0.00 0.00 175.22 175.03 3i1t s ALA 108 N -0.41 -0.07 0.40 5.36 0.00 -1.26 -0.04 121.76 125.73 3i1t s ALA 108 Ca -0.05 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.32 3i1t s ALA 108 Cb -0.03 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.79 3i1t s ALA 108 CO 0.01 -0.11 0.00 1.63 0.00 0.00 0.00 175.76 177.29 3i1t n LYS 109 N 4.02 0.69 0.00 0.00 4.76 -1.04 -1.62 118.16 124.97 3i1t n LYS 109 Ca -0.25 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.19 3i1t n LYS 109 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 3i1t n LYS 109 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3i1t n VAL 110 N -1.32 0.00 0.00 -0.18 0.31 -0.43 -2.97 118.33 113.74 3i1t n VAL 110 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i1t n VAL 110 Cb 0.00 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 3i1t n VAL 110 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3i1t n ILE 111 N -1.66 0.00 -3.72 2.52 -0.00 -1.25 -3.75 119.36 111.49 3i1t n ILE 111 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 62.75 62.50 3i1t n ILE 111 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 39.64 39.47 3i1t n ILE 111 CO 0.00 0.00 0.00 -1.48 -0.00 0.00 0.00 176.55 175.07 3i1t s LEU 112 N 0.00 0.69 -0.20 7.28 2.34 -1.26 -4.26 118.68 123.27 3i1t s LEU 112 Ca 0.00 -0.39 -0.10 0.00 0.06 0.00 0.00 54.13 53.70 3i1t s LEU 112 Cb 0.00 -0.42 -0.08 0.00 -0.56 0.00 0.00 46.19 45.12 3i1t s LEU 112 CO 0.00 -0.26 -0.25 0.00 -1.06 0.00 0.00 176.35 174.77 3i1t n ALA 113 N 5.16 1.72 0.00 1.48 0.00 -1.26 -4.79 120.51 122.81 3i1t n ALA 113 Ca -0.07 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.59 3i1t n ALA 113 Cb 0.49 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.18 3i1t n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1t n GLY 114 N 1.77 -1.83 3.29 0.00 0.00 -1.25 -4.91 105.19 102.27 3i1t n GLY 114 Ca -0.38 0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3i1t n GLY 114 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i1t n GLU 115 N 0.00 0.03 0.05 1.61 4.71 -0.96 -4.87 120.64 121.21 3i1t n GLU 115 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 3i1t n GLU 115 Cb 0.00 -1.03 0.00 0.00 -1.01 0.00 0.00 31.44 29.40 3i1t n GLU 115 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 3i1t n VAL 116 N -1.19 0.76 -0.41 2.62 3.14 -1.26 -4.54 118.33 117.45 3i1t n VAL 116 Ca 0.10 0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.73 3i1t n VAL 116 Cb 0.42 -1.39 0.00 0.00 -1.06 0.00 0.00 33.84 31.82 3i1t n VAL 116 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 3i1t n THR 117 N -3.34 0.00 -1.68 1.55 -1.04 -1.26 -4.41 114.28 104.10 3i1t n THR 117 Ca 0.00 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.55 3i1t n THR 117 Cb 0.11 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.58 3i1t n THR 117 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 3i1t n THR 118 N 0.00 0.59 -0.41 12.58 5.66 -1.26 -4.81 114.28 126.63 3i1t n THR 118 Ca 0.00 -0.11 -0.06 0.00 -3.05 0.00 0.00 64.05 60.84 3i1t n THR 118 Cb 0.00 -2.01 -0.06 0.00 -1.55 0.00 0.00 70.33 66.71 3i1t n THR 118 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 3i1t n PRO 119 N 6.66 0.87 -0.99 1.09 -0.02 -1.26 -4.46 135.00 136.89 3i1t n PRO 119 Ca 0.21 -0.48 -0.31 0.00 -2.02 0.00 0.00 63.50 60.90 3i1t n PRO 119 Cb 0.33 -1.76 0.13 0.00 -0.02 0.00 0.00 33.50 32.18 3i1t n PRO 119 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i1t s VAL 120 N 2.36 2.56 -0.16 -1.45 1.01 -1.26 -4.41 120.40 119.05 3i1t s VAL 120 Ca 0.27 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.37 3i1t s VAL 120 Cb 0.12 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3i1t s VAL 120 CO -0.00 -0.23 0.10 0.28 0.00 0.00 0.00 175.10 175.25 3i1t s THR 121 N -2.67 5.11 -0.40 3.92 -1.32 -1.26 -4.22 115.64 114.79 3i1t s THR 121 Ca 0.65 0.07 -0.25 0.00 -1.21 0.00 0.00 61.69 60.95 3i1t s THR 121 Cb -0.21 -3.27 0.02 0.00 -1.51 0.00 0.00 72.50 67.53 3i1t s THR 121 CO 0.56 0.52 0.90 0.68 -2.21 0.00 0.00 174.62 175.06 3i1t s VAL 122 N -0.19 4.57 -0.08 5.08 -7.23 -1.13 -1.44 120.40 119.97 3i1t s VAL 122 Ca 0.09 0.95 -0.02 0.00 -1.81 0.00 0.00 61.98 61.19 3i1t s VAL 122 Cb -0.12 -4.35 -0.03 0.00 0.56 0.00 0.00 36.38 32.44 3i1t s VAL 122 CO 0.01 -0.63 0.01 -0.13 -0.31 0.00 0.00 175.10 174.05 3i1t s ARG 123 N 3.51 3.00 -2.01 4.82 0.52 -1.08 -2.27 118.95 125.44 3i1t s ARG 123 Ca 0.36 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 55.17 3i1t s ARG 123 Cb -0.11 -2.81 0.00 0.00 0.52 0.00 0.00 34.95 32.55 3i1t s ARG 123 CO 0.21 0.70 0.00 0.41 0.02 0.00 0.00 175.30 176.65 3i1t n GLY 124 N 2.08 1.81 2.44 -3.53 0.00 -1.26 -2.62 105.19 104.12 3i1t n GLY 124 Ca -0.18 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 3i1t n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1t n LEU 125 N -2.16 0.00 -3.86 0.99 4.77 -1.26 -4.75 117.00 110.73 3i1t n LEU 125 Ca -0.19 -1.85 -0.30 0.00 -0.03 0.00 0.00 56.01 53.65 3i1t n LEU 125 Cb 0.66 -0.02 -0.16 0.00 -2.33 0.00 0.00 43.42 41.57 3i1t n LEU 125 CO 0.29 -0.46 -0.39 -0.13 -1.33 0.00 0.00 177.39 175.37 3i1t s ARG 126 N -3.44 1.23 -0.10 3.23 0.52 -0.64 -5.03 118.95 114.72 3i1t s ARG 126 Ca 0.19 -0.92 -0.04 0.00 -0.52 0.00 0.00 55.73 54.44 3i1t s ARG 126 Cb -0.02 -2.42 -0.04 0.00 0.52 0.00 0.00 34.95 33.00 3i1t s ARG 126 CO 0.12 -0.69 0.07 0.54 0.02 0.00 0.00 175.30 175.36 3i1t s VAL 127 N 1.51 4.87 0.75 3.52 0.11 -1.26 -1.31 120.40 128.58 3i1t s VAL 127 Ca -0.01 -0.04 -0.15 0.00 -2.93 0.00 0.00 61.98 58.84 3i1t s VAL 127 Cb -0.18 -3.09 0.01 0.00 -1.53 0.00 0.00 36.38 31.59 3i1t s VAL 127 CO -0.10 0.60 0.89 0.41 -3.33 0.00 0.00 175.10 173.57 3i1t n THR 128 N 2.04 2.29 0.16 5.04 -1.04 -1.26 -4.70 114.28 116.81 3i1t n THR 128 Ca -0.19 -0.34 0.05 0.00 -2.04 0.00 0.00 64.05 61.53 3i1t n THR 128 Cb 0.54 -1.02 0.50 0.00 -1.82 0.00 0.00 70.33 68.54 3i1t n THR 128 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 3i1t h LYS 129 N -0.47 0.18 0.01 -2.82 2.10 -1.99 0.37 116.57 113.96 3i1t h LYS 129 Ca -0.47 -0.02 -0.29 0.00 -2.00 0.00 0.00 60.65 57.88 3i1t h LYS 129 Cb 1.33 -0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 32.58 3i1t h LYS 129 CO 0.45 0.21 -1.63 0.78 -2.00 0.00 0.00 179.45 177.26 3i1t h GLY 130 N 0.41 0.03 2.00 0.07 0.00 -1.96 -3.16 103.07 100.47 3i1t h GLY 130 Ca 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 3i1t h GLY 130 CO 0.00 0.07 -0.19 0.00 0.00 0.00 0.00 176.54 176.42 3i1t h ALA 131 N 0.92 0.91 0.14 3.60 0.00 -1.74 -3.03 119.26 120.06 3i1t h ALA 131 Ca -0.26 -0.18 -0.29 0.00 0.00 0.00 0.00 54.91 54.19 3i1t h ALA 131 Cb 1.98 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.76 3i1t h ALA 131 CO 0.09 0.24 -1.26 -0.09 0.00 0.00 0.00 179.25 178.23 3i1t h ARG 132 N 0.00 0.43 -0.60 0.00 2.43 -0.39 -3.01 114.38 113.24 3i1t h ARG 132 Ca -0.00 -0.65 0.00 0.00 -0.81 0.00 0.00 59.98 58.52 3i1t h ARG 132 Cb 1.01 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3i1t h ARG 132 CO 0.03 1.29 0.00 0.00 -1.51 0.00 0.00 179.97 179.78 3i1t n ALA 133 N -2.61 2.51 0.00 2.80 0.00 -1.15 -0.57 120.51 121.48 3i1t n ALA 133 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3i1t n ALA 133 Cb 1.01 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3i1t n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t n ALA 134 N -0.19 1.03 -0.14 0.00 0.00 -1.16 -4.22 120.51 115.84 3i1t n ALA 134 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3i1t n ALA 134 Cb 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.50 3i1t n ALA 134 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3i1t n ILE 135 N -0.63 1.53 0.18 0.00 3.06 -1.07 -3.71 119.36 118.71 3i1t n ILE 135 Ca 0.00 -0.38 0.05 0.00 -2.50 0.00 0.00 62.75 59.92 3i1t n ILE 135 Cb 0.00 -1.85 0.25 0.00 0.54 0.00 0.00 39.64 38.58 3i1t n ILE 135 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 3i1t h GLU 136 N -0.90 0.00 0.00 9.51 4.81 -1.04 -2.24 114.58 124.73 3i1t h GLU 136 Ca -0.67 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.54 3i1t h GLU 136 Cb 1.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.01 3i1t h GLU 136 CO -0.38 0.39 -0.08 0.00 -0.73 0.00 0.00 179.01 178.21 3i1t h ALA 137 N 1.61 0.01 -0.20 2.92 0.00 -1.73 -3.27 119.26 118.60 3i1t h ALA 137 Ca -0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 3i1t h ALA 137 Cb 1.05 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 3i1t h ALA 137 CO 0.05 -0.03 0.13 0.00 0.00 0.00 0.00 179.25 179.40 3i1t n ALA 138 N -2.53 3.27 -1.02 0.00 0.00 -1.24 -4.84 120.51 114.15 3i1t n ALA 138 Ca -0.10 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.76 3i1t n ALA 138 Cb 0.44 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3i1t n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1t n GLY 139 N 0.28 -1.94 0.00 0.00 0.00 -1.20 -4.92 105.19 97.41 3i1t n GLY 139 Ca 0.12 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3i1t n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1t n GLY 140 N 0.30 0.82 3.32 -0.02 0.00 -0.85 -4.27 105.19 104.49 3i1t n GLY 140 Ca 0.00 -0.74 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 3i1t n GLY 140 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1t s LYS 141 N -2.00 1.25 -0.04 1.61 2.36 -1.26 -4.36 119.74 117.30 3i1t s LYS 141 Ca 0.00 -1.44 0.05 0.00 -2.55 0.00 0.00 55.97 52.03 3i1t s LYS 141 Cb 0.00 -1.20 -0.01 0.00 -1.05 0.00 0.00 37.83 35.57 3i1t s LYS 141 CO 0.00 0.23 -0.19 0.42 1.55 0.00 0.00 175.35 177.36 3i1t s ILE 142 N -2.35 1.56 -2.00 5.43 1.09 -1.26 -2.86 121.20 120.81 3i1t s ILE 142 Ca 0.17 -0.80 0.13 0.00 -1.10 0.00 0.00 60.65 59.05 3i1t s ILE 142 Cb -0.04 -1.33 0.37 0.00 -1.06 0.00 0.00 42.46 40.40 3i1t s ILE 142 CO 0.06 0.44 1.20 -1.84 -0.10 0.00 0.00 174.94 174.71 3i1t n GLU 143 N 3.00 0.46 0.00 2.79 0.00 -0.96 -5.00 120.64 120.93 3i1t n GLU 143 Ca -0.17 0.00 0.03 0.00 0.00 0.00 0.00 57.16 57.02 3i1t n GLU 143 Cb 0.53 -1.44 0.18 0.00 0.00 0.00 0.00 31.44 30.71 3i1t n GLU 143 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22