#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eef s SER 2 N 0.00 6.32 -1.28 1.61 0.15 -1.26 -4.42 113.70 114.82 2eef s SER 2 Ca 0.00 0.34 -0.07 0.00 0.70 0.00 0.00 55.95 56.92 2eef s SER 2 Cb 0.00 -1.98 0.01 0.00 -1.71 0.00 0.00 66.02 62.34 2eef s SER 2 CO 0.00 -0.20 1.11 -0.24 1.20 0.00 0.00 173.24 175.11 2eef n SER 3 N -1.53 -5.24 -4.55 5.45 2.88 -1.26 -4.95 113.62 104.41 2eef n SER 3 Ca -0.06 -0.54 -0.42 0.00 -1.33 0.00 0.00 58.87 56.52 2eef n SER 3 Cb 0.56 -4.91 -0.07 0.00 -0.75 0.00 0.00 64.21 59.04 2eef n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2eef s GLY 4 N -3.55 1.74 0.08 0.46 0.00 -1.26 -5.05 107.32 99.74 2eef s GLY 4 Ca 0.43 -0.99 0.09 0.00 0.00 0.00 0.00 44.72 44.26 2eef s GLY 4 CO 0.71 1.49 -0.24 -0.45 0.00 0.00 0.00 173.10 174.60 2eef s SER 5 N 1.87 2.95 -0.15 1.64 0.15 -1.26 -5.11 113.70 113.80 2eef s SER 5 Ca 0.23 -0.64 -0.29 0.00 0.70 0.00 0.00 55.95 55.95 2eef s SER 5 Cb -0.14 -0.22 -0.01 0.00 -1.71 0.00 0.00 66.02 63.94 2eef s SER 5 CO 0.16 0.18 1.07 -0.44 1.20 0.00 0.00 173.24 175.41 2eef s SER 6 N -1.61 7.14 0.00 5.45 0.01 -1.26 -4.59 113.70 118.84 2eef s SER 6 Ca 0.11 1.53 0.00 0.00 1.31 0.00 0.00 55.95 58.90 2eef s SER 6 Cb -0.10 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2eef s SER 6 CO 0.04 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 173.73 2eef n GLY 7 N 3.26 -1.87 2.84 3.44 0.00 -1.26 -5.11 105.19 106.49 2eef n GLY 7 Ca 0.11 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 2eef n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2eef s ALA 8 N 0.00 0.57 -0.33 4.61 0.00 -1.26 -5.12 121.76 120.23 2eef s ALA 8 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.89 2eef s ALA 8 Cb 0.00 -0.47 0.04 0.00 0.00 0.00 0.00 23.12 22.69 2eef s ALA 8 CO 0.00 -0.14 0.09 -1.21 0.00 0.00 0.00 175.76 174.51 2eef s GLU 9 N 1.20 2.65 0.16 0.00 8.01 -1.26 -5.07 118.70 124.38 2eef s GLU 9 Ca -0.07 -1.15 -0.05 0.00 0.01 0.00 0.00 54.97 53.71 2eef s GLU 9 Cb -0.14 -3.43 -0.02 0.00 -4.31 0.00 0.00 34.13 26.23 2eef s GLU 9 CO -0.02 -0.64 0.19 -1.12 0.01 0.00 0.00 175.26 173.68 2eef s SER 10 N 1.40 0.15 0.99 -0.19 0.01 -1.26 -5.15 113.70 109.66 2eef s SER 10 Ca -0.01 -1.04 -0.17 0.00 1.31 0.00 0.00 55.95 56.04 2eef s SER 10 Cb -0.19 0.38 -0.07 0.00 0.21 0.00 0.00 66.02 66.34 2eef s SER 10 CO 0.02 -0.83 -0.40 -0.62 0.41 0.00 0.00 173.24 171.82 2eef n GLU 11 N -0.17 -0.20 -3.68 12.44 1.02 -1.26 -5.01 120.64 123.77 2eef n GLU 11 Ca -0.06 -0.04 -0.23 0.00 -0.02 0.00 0.00 57.16 56.81 2eef n GLU 11 Cb 0.63 -1.34 -0.02 0.00 -0.02 0.00 0.00 31.44 30.69 2eef n GLU 11 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2eef n SER 12 N 1.51 2.71 -4.62 1.62 7.64 -1.26 -4.98 113.62 116.24 2eef n SER 12 Ca 0.01 -2.62 -0.26 0.00 1.01 0.00 0.00 58.87 57.01 2eef n SER 12 Cb 0.57 0.10 -0.10 0.00 -1.01 0.00 0.00 64.21 63.78 2eef n SER 12 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2eef s PHE 13 N -2.29 2.51 0.34 1.43 0.40 -1.26 -1.57 117.98 117.54 2eef s PHE 13 Ca 0.14 -0.57 0.05 0.00 -0.60 0.00 0.00 56.93 55.95 2eef s PHE 13 Cb -0.01 -1.66 -0.03 0.00 0.51 0.00 0.00 43.02 41.83 2eef s PHE 13 CO 0.09 0.44 0.20 0.14 0.70 0.00 0.00 175.22 176.80 2eef s VAL 14 N -2.63 0.23 -0.18 -0.44 -7.23 0.04 -4.58 120.40 105.60 2eef s VAL 14 Ca 0.35 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.47 2eef s VAL 14 Cb 0.05 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.51 2eef s VAL 14 CO 0.19 0.00 0.02 -0.76 -0.31 0.00 0.00 175.10 174.23 2eef s LEU 15 N -3.43 3.50 -0.16 1.32 1.43 -1.26 -2.70 118.68 117.38 2eef s LEU 15 Ca 0.35 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 2eef s LEU 15 Cb 0.03 -1.88 0.18 0.00 0.03 0.00 0.00 46.19 44.55 2eef s LEU 15 CO 0.21 0.14 1.55 -0.67 0.23 0.00 0.00 176.35 177.82 2eef n ASP 16 N 3.73 4.29 -3.73 2.29 2.03 -1.18 -4.81 116.55 119.16 2eef n ASP 16 Ca -0.17 -2.62 -0.14 0.00 0.52 0.00 0.00 54.79 52.39 2eef n ASP 16 Cb 0.52 -0.78 -0.09 0.00 -0.72 0.00 0.00 41.12 40.05 2eef n ASP 16 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2eef s PHE 17 N -1.06 -0.28 0.20 -0.67 -0.12 -1.26 -4.93 117.98 109.86 2eef s PHE 17 Ca 0.18 0.50 -0.29 0.00 -0.05 0.00 0.00 56.93 57.28 2eef s PHE 17 Cb 0.15 0.14 -0.08 0.00 -0.63 0.00 0.00 43.02 42.60 2eef s PHE 17 CO 0.02 -0.38 0.89 -1.54 -0.05 0.00 0.00 175.22 174.16 2eef s SER 18 N -1.03 7.55 0.17 1.98 1.04 -1.26 -4.98 113.70 117.16 2eef s SER 18 Ca -0.11 1.84 -0.33 0.00 0.48 0.00 0.00 55.95 57.82 2eef s SER 18 Cb -0.04 -2.57 -0.15 0.00 0.10 0.00 0.00 66.02 63.35 2eef s SER 18 CO 0.04 0.14 1.30 0.00 0.98 0.00 0.00 173.24 175.71 2eef n GLN 19 N 1.70 1.46 -0.02 4.02 1.13 -1.26 -4.91 117.38 119.50 2eef n GLN 19 Ca -0.03 0.52 -0.13 0.00 -1.94 0.00 0.00 57.00 55.43 2eef n GLN 19 Cb 0.48 -2.11 -0.09 0.00 0.11 0.00 0.00 30.24 28.62 2eef n GLN 19 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2eef h PRO 20 N 4.09 0.09 -1.72 -1.09 0.13 -1.81 -3.14 132.00 128.56 2eef h PRO 20 Ca -0.45 -0.05 0.51 0.00 -0.87 0.00 0.00 66.00 65.15 2eef h PRO 20 Cb 1.32 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.36 2eef h PRO 20 CO 0.75 0.55 1.22 0.66 -0.23 0.00 0.00 178.00 180.95 2eef h SER 21 N -0.37 0.06 -0.98 1.44 4.64 -1.66 0.30 113.55 116.98 2eef h SER 21 Ca 0.01 0.04 0.32 0.00 -0.47 0.00 0.00 61.79 61.68 2eef h SER 21 Cb 0.54 0.03 -0.16 0.00 -0.31 0.00 0.00 62.40 62.51 2eef h SER 21 CO 0.01 -0.05 0.47 0.00 -0.87 0.00 0.00 176.83 176.39 2eef h ALA 22 N 1.21 1.83 -2.93 5.18 0.00 -1.84 -3.13 119.26 119.58 2eef h ALA 22 Ca 0.87 0.22 -0.74 0.00 0.00 0.00 0.00 54.91 55.26 2eef h ALA 22 Cb 3.32 0.24 -0.31 0.00 0.00 0.00 0.00 17.79 21.04 2eef h ALA 22 CO -0.12 -0.62 -0.20 -0.51 0.00 0.00 0.00 179.25 177.80 2eef s ASP 23 N -4.87 5.90 0.26 0.00 1.01 0.10 -4.93 116.67 114.14 2eef s ASP 23 Ca -0.10 -2.61 -0.01 0.00 0.71 0.00 0.00 52.55 50.54 2eef s ASP 23 Cb 0.30 -2.02 0.54 0.00 1.01 0.00 0.00 42.92 42.75 2eef s ASP 23 CO 0.78 -0.51 1.75 0.22 0.21 0.00 0.00 175.17 177.62 2eef h TYR 24 N 7.59 0.70 0.18 4.23 3.20 -1.78 0.23 116.97 131.32 2eef h TYR 24 Ca -0.01 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 2eef h TYR 24 Cb 1.01 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.10 2eef h TYR 24 CO 0.82 0.13 -0.09 -0.07 -1.64 0.00 0.00 178.16 177.31 2eef h LEU 25 N 0.56 -0.20 -1.38 2.82 -0.00 -1.91 0.12 115.31 115.31 2eef h LEU 25 Ca 0.47 0.01 0.08 0.00 -0.00 0.00 0.00 57.88 58.43 2eef h LEU 25 Cb 0.70 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.40 2eef h LEU 25 CO -0.39 -0.06 0.66 -0.78 -0.00 0.00 0.00 178.44 177.87 2eef h ASP 26 N -0.42 0.00 0.00 -0.43 3.58 -1.91 -0.80 116.42 116.43 2eef h ASP 26 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2eef h ASP 26 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2eef h ASP 26 CO 0.04 0.00 -0.25 0.15 -2.88 0.00 0.00 179.24 176.30 2eef h PHE 27 N 0.00 0.00 -1.30 0.28 3.04 -0.49 -3.36 116.94 115.11 2eef h PHE 27 Ca 0.13 0.00 0.38 0.00 3.98 0.00 0.00 57.97 62.45 2eef h PHE 27 Cb 1.44 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 39.90 2eef h PHE 27 CO 0.00 0.00 0.93 0.07 -2.02 0.00 0.00 178.31 177.29 2eef h ARG 28 N -0.76 0.01 -0.64 1.11 0.11 0.09 0.38 114.38 114.69 2eef h ARG 28 Ca 0.00 -0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.08 2eef h ARG 28 Cb 0.25 -0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.29 2eef h ARG 28 CO 0.00 0.01 0.42 -0.91 0.10 0.00 0.00 179.97 179.59 2eef h ASN 29 N 0.01 0.73 0.16 0.08 2.35 -1.33 0.25 115.58 117.83 2eef h ASN 29 Ca 0.62 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 56.19 2eef h ASN 29 Cb 2.47 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 40.65 2eef h ASN 29 CO -0.02 0.54 -0.59 0.03 -1.65 0.00 0.00 177.43 175.74 2eef h ARG 30 N 0.86 0.44 0.00 0.81 2.47 -0.38 0.17 114.38 118.75 2eef h ARG 30 Ca 0.23 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 2eef h ARG 30 Cb -0.09 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 2eef h ARG 30 CO -0.05 0.90 0.00 -0.11 0.56 0.00 0.00 179.97 181.27 2eef n LEU 31 N -3.92 0.16 -0.10 3.04 7.94 -0.95 0.56 117.00 123.73 2eef n LEU 31 Ca -0.03 0.52 -0.13 0.00 -1.11 0.00 0.00 56.01 55.27 2eef n LEU 31 Cb 0.62 -0.48 -0.12 0.00 0.53 0.00 0.00 43.42 43.97 2eef n LEU 31 CO 0.46 -0.15 -1.17 1.67 -1.11 0.00 0.00 177.39 177.10 2eef n GLN 32 N -1.66 0.81 -0.02 1.96 -0.06 0.03 -2.82 117.38 115.63 2eef n GLN 32 Ca 0.05 0.07 -0.04 0.00 -2.00 0.00 0.00 57.00 55.08 2eef n GLN 32 Cb 0.29 -1.45 -0.12 0.00 -4.06 0.00 0.00 30.24 24.89 2eef n GLN 32 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2eef n ALA 33 N -2.93 1.76 0.52 1.69 0.00 0.02 -4.27 120.51 117.30 2eef n ALA 33 Ca -0.35 -0.79 0.05 0.00 0.00 0.00 0.00 53.44 52.35 2eef n ALA 33 Cb 1.00 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 19.66 2eef n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2eef n ASP 34 N -2.86 0.66 -2.40 0.00 -0.08 0.19 -4.99 116.55 107.08 2eef n ASP 34 Ca -0.17 -0.83 -0.17 0.00 -1.51 0.00 0.00 54.79 52.10 2eef n ASP 34 Cb 0.96 0.90 -0.01 0.00 2.34 0.00 0.00 41.12 45.32 2eef n ASP 34 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2eef n HIS 35 N -1.07 -1.15 -3.64 -0.67 8.25 -1.02 -4.74 115.22 111.17 2eef n HIS 35 Ca 0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.44 2eef n HIS 35 Cb 0.18 -3.49 -0.06 0.00 1.12 0.00 0.00 29.99 27.75 2eef n HIS 35 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2eef s VAL 36 N -2.87 0.00 -0.25 1.59 0.11 -1.24 -3.66 120.40 114.09 2eef s VAL 36 Ca 0.00 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 2eef s VAL 36 Cb 0.00 -1.00 0.17 0.00 -1.53 0.00 0.00 36.38 34.02 2eef s VAL 36 CO 0.00 0.00 1.24 0.00 -3.33 0.00 0.00 175.10 173.01 2eef s LEU 38 N -0.94 4.35 -0.09 0.00 2.96 -1.26 -1.09 118.68 122.61 2eef s LEU 38 Ca 0.05 1.07 -0.04 0.00 -0.22 0.00 0.00 54.13 54.99 2eef s LEU 38 Cb -0.01 -2.91 -0.01 0.00 0.50 0.00 0.00 46.19 43.76 2eef s LEU 38 CO -0.05 0.01 -0.08 -0.08 -1.32 0.00 0.00 176.35 174.83 2eef h GLU 39 N 6.26 0.00 -3.71 1.98 4.57 -1.78 -3.39 114.58 118.51 2eef h GLU 39 Ca -0.43 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.56 2eef h GLU 39 Cb 1.19 0.00 -0.25 0.00 -0.16 0.00 0.00 28.75 29.54 2eef h GLU 39 CO 0.73 0.00 -0.65 0.54 -1.18 0.00 0.00 179.01 178.44 2eef s ASN 40 N -4.92 0.05 -0.23 1.04 4.22 -1.24 -2.32 114.94 111.52 2eef s ASN 40 Ca -0.07 -0.12 -0.04 0.00 -2.14 0.00 0.00 52.86 50.49 2eef s ASN 40 Cb 0.01 0.11 0.08 0.00 1.28 0.00 0.00 41.25 42.73 2eef s ASN 40 CO 0.10 -0.14 0.10 0.00 -2.04 0.00 0.00 177.10 175.12 2eef s VAL 42 N 2.04 3.57 -0.03 0.00 -7.23 0.24 -4.93 120.40 114.07 2eef s VAL 42 Ca 0.05 -0.20 0.06 0.00 -1.81 0.00 0.00 61.98 60.08 2eef s VAL 42 Cb -0.16 -3.39 -0.01 0.00 0.56 0.00 0.00 36.38 33.37 2eef s VAL 42 CO -0.22 -0.36 -0.21 -0.22 -0.31 0.00 0.00 175.10 173.78 2eef s LEU 43 N -4.87 2.02 0.00 1.32 0.20 -1.26 -1.90 118.68 114.18 2eef s LEU 43 Ca 0.53 -0.39 0.03 0.00 0.69 0.00 0.00 54.13 54.98 2eef s LEU 43 Cb -0.10 -1.11 -0.01 0.00 -0.43 0.00 0.00 46.19 44.54 2eef s LEU 43 CO 0.43 0.24 0.10 0.29 -0.29 0.00 0.00 176.35 177.11 2eef n LYS 44 N 2.72 0.61 -1.65 1.98 4.01 0.17 -4.99 118.16 121.01 2eef n LYS 44 Ca -0.16 -1.89 -0.48 0.00 -0.51 0.00 0.00 58.31 55.27 2eef n LYS 44 Cb 0.53 1.15 -0.05 0.00 -0.51 0.00 0.00 35.03 36.15 2eef n LYS 44 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2eef n ASP 45 N -1.89 3.34 -3.07 4.39 8.00 -1.26 -2.23 116.55 123.83 2eef n ASP 45 Ca -0.01 0.86 -0.21 0.00 0.71 0.00 0.00 54.79 56.13 2eef n ASP 45 Cb 0.34 -1.38 -0.04 0.00 -0.02 0.00 0.00 41.12 40.02 2eef n ASP 45 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2eef n LYS 46 N 7.01 -1.20 -3.51 -1.24 4.01 -1.26 -4.80 118.16 117.18 2eef n LYS 46 Ca 0.25 0.07 -0.17 0.00 -0.51 0.00 0.00 58.31 57.95 2eef n LYS 46 Cb 0.30 -3.07 -0.05 0.00 -0.51 0.00 0.00 35.03 31.70 2eef n LYS 46 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2eef s ALA 47 N -2.18 -1.75 0.29 7.82 0.00 -0.94 0.09 121.76 125.09 2eef s ALA 47 Ca 0.41 1.19 0.07 0.00 0.00 0.00 0.00 51.96 53.63 2eef s ALA 47 Cb -0.24 0.13 -0.06 0.00 0.00 0.00 0.00 23.12 22.95 2eef s ALA 47 CO 0.50 -0.43 -0.05 0.96 0.00 0.00 0.00 175.76 176.74 2eef s ILE 48 N -1.61 1.65 -0.24 0.00 -4.36 -0.42 0.46 121.20 116.69 2eef s ILE 48 Ca -0.09 -2.11 -0.18 0.00 -0.26 0.00 0.00 60.65 58.01 2eef s ILE 48 Cb -0.00 -2.52 0.07 0.00 1.25 0.00 0.00 42.46 41.26 2eef s ILE 48 CO 0.06 -0.25 0.61 0.00 0.24 0.00 0.00 174.94 175.60 2eef s ALA 49 N -3.00 -1.58 0.09 2.27 0.00 -0.80 -3.03 121.76 115.71 2eef s ALA 49 Ca 0.31 1.97 -0.25 0.00 0.00 0.00 0.00 51.96 53.98 2eef s ALA 49 Cb 0.04 -1.16 0.08 0.00 0.00 0.00 0.00 23.12 22.09 2eef s ALA 49 CO 0.13 -0.32 0.68 0.20 0.00 0.00 0.00 175.76 176.45 2eef s GLY 50 N 0.99 -0.57 -0.10 0.00 0.00 -0.91 0.80 107.32 107.51 2eef s GLY 50 Ca -0.05 0.74 0.02 0.00 0.00 0.00 0.00 44.72 45.43 2eef s GLY 50 CO -0.09 0.31 -0.15 -0.51 0.00 0.00 0.00 173.10 172.66 2eef s THR 51 N -3.25 2.88 0.06 0.90 -4.23 -0.68 -0.44 115.64 110.88 2eef s THR 51 Ca 0.00 -0.74 0.05 0.00 -1.18 0.00 0.00 61.69 59.82 2eef s THR 51 Cb -0.01 -2.17 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 2eef s THR 51 CO -0.09 0.55 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.78 2eef s VAL 52 N 0.06 3.64 0.14 2.29 1.01 0.59 -2.05 120.40 126.09 2eef s VAL 52 Ca -0.06 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 60.96 2eef s VAL 52 Cb -0.15 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 2eef s VAL 52 CO 0.05 0.22 0.09 -0.54 0.00 0.00 0.00 175.10 174.92 2eef s LYS 53 N -1.92 2.78 0.01 2.72 -0.14 -0.25 -1.59 119.74 121.36 2eef s LYS 53 Ca 0.21 -0.86 -0.11 0.00 -1.36 0.00 0.00 55.97 53.85 2eef s LYS 53 Cb -0.11 -2.61 0.01 0.00 -1.68 0.00 0.00 37.83 33.44 2eef s LYS 53 CO 0.12 0.51 0.23 0.14 -0.76 0.00 0.00 175.35 175.59 2eef s VAL 54 N -1.61 0.08 0.29 3.17 -7.23 -1.23 -2.74 120.40 111.13 2eef s VAL 54 Ca 0.29 -0.68 -0.21 0.00 -1.81 0.00 0.00 61.98 59.57 2eef s VAL 54 Cb -0.11 -0.71 -0.09 0.00 0.56 0.00 0.00 36.38 36.03 2eef s VAL 54 CO 0.22 -0.38 0.82 -1.10 -0.31 0.00 0.00 175.10 174.35 2eef s GLN 55 N -1.89 4.33 -0.00 4.82 -1.52 -1.24 -3.81 119.66 120.34 2eef s GLN 55 Ca -0.10 1.02 -0.05 0.00 -1.95 0.00 0.00 55.36 54.27 2eef s GLN 55 Cb -0.04 -2.72 -0.24 0.00 -0.22 0.00 0.00 33.01 29.78 2eef s GLN 55 CO 0.00 0.28 3.47 0.27 -0.25 0.00 0.00 175.29 179.07 2eef n ASN 56 N 0.39 5.25 0.22 5.90 6.94 -1.26 -4.55 115.26 128.15 2eef n ASN 56 Ca 0.01 -2.48 -0.15 0.00 -0.02 0.00 0.00 54.58 51.94 2eef n ASN 56 Cb 0.51 -1.39 -0.08 0.00 -2.36 0.00 0.00 39.78 36.46 2eef n ASN 56 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2eef h LEU 57 N 4.81 -0.54-10.05 -4.53 3.38 -1.94 -3.45 115.31 102.98 2eef h LEU 57 Ca 0.17 0.03 -0.66 0.00 0.09 0.00 0.00 57.88 57.52 2eef h LEU 57 Cb 1.47 0.16 -0.11 0.00 0.09 0.00 0.00 40.66 42.26 2eef h LEU 57 CO 0.21 -0.35 -0.49 0.00 0.09 0.00 0.00 178.44 177.90 2eef s ALA 58 N -6.10 4.07 -0.03 1.53 0.00 -1.26 -5.02 121.76 114.94 2eef s ALA 58 Ca -0.16 -0.75 -0.20 0.00 0.00 0.00 0.00 51.96 50.84 2eef s ALA 58 Cb 0.05 -0.10 -0.14 0.00 0.00 0.00 0.00 23.12 22.93 2eef s ALA 58 CO 0.64 -0.10 0.88 0.74 0.00 0.00 0.00 175.76 177.91 2eef h PHE 59 N 1.29 -0.34 -3.94 0.00 0.04 -1.98 -3.45 116.94 108.56 2eef h PHE 59 Ca -0.43 -0.01 -0.50 0.00 2.80 0.00 0.00 57.97 59.84 2eef h PHE 59 Cb 1.30 0.11 0.05 0.00 2.20 0.00 0.00 35.95 39.61 2eef h PHE 59 CO 1.33 0.01 0.26 -1.21 -0.60 0.00 0.00 178.31 178.10 2eef s GLU 60 N -3.65 3.54 -0.00 1.51 2.02 -1.26 -5.10 118.70 115.76 2eef s GLU 60 Ca -0.12 0.44 -0.09 0.00 0.02 0.00 0.00 54.97 55.22 2eef s GLU 60 Cb 0.01 -2.23 0.01 0.00 0.10 0.00 0.00 34.13 32.01 2eef s GLU 60 CO 0.42 -0.40 0.18 0.15 0.02 0.00 0.00 175.26 175.64 2eef s LYS 61 N -4.95 0.52 -0.35 1.61 1.02 -1.26 -4.83 119.74 111.49 2eef s LYS 61 Ca 0.51 -0.33 -0.00 0.00 0.02 0.00 0.00 55.97 56.17 2eef s LYS 61 Cb -0.11 0.22 0.12 0.00 -0.52 0.00 0.00 37.83 37.55 2eef s LYS 61 CO 0.49 -0.13 0.17 0.99 -0.92 0.00 0.00 175.35 175.95 2eef s THR 62 N -1.34 0.66 -0.27 2.17 2.01 -1.07 -5.04 115.64 112.77 2eef s THR 62 Ca -0.14 -1.70 -0.09 0.00 0.31 0.00 0.00 61.69 60.07 2eef s THR 62 Cb -0.07 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 2eef s THR 62 CO 0.02 -0.83 0.13 -0.69 -0.69 0.00 0.00 174.62 172.56 2eef s VAL 63 N 1.20 4.79 -0.04 3.82 1.01 -1.26 -1.64 120.40 128.27 2eef s VAL 63 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 2eef s VAL 63 Cb -0.21 -3.27 0.03 0.00 0.00 0.00 0.00 36.38 32.93 2eef s VAL 63 CO -0.13 0.28 0.08 -0.54 0.00 0.00 0.00 175.10 174.79 2eef s LYS 64 N 1.68 -0.01 -0.06 2.72 1.02 -1.01 -2.87 119.74 121.21 2eef s LYS 64 Ca 0.07 0.32 -0.18 0.00 0.02 0.00 0.00 55.97 56.19 2eef s LYS 64 Cb -0.16 -0.30 -0.05 0.00 -0.52 0.00 0.00 37.83 36.81 2eef s LYS 64 CO 0.07 -0.22 0.51 0.42 -0.92 0.00 0.00 175.35 175.21 2eef s ILE 65 N 1.51 5.07 -0.16 2.17 -1.09 -0.87 -2.43 121.20 125.39 2eef s ILE 65 Ca -0.04 1.04 0.01 0.00 -2.23 0.00 0.00 60.65 59.43 2eef s ILE 65 Cb -0.12 -3.84 0.01 0.00 -1.58 0.00 0.00 42.46 36.92 2eef s ILE 65 CO -0.04 0.39 -0.19 0.00 -1.23 0.00 0.00 174.94 173.88 2eef s ARG 66 N 0.11 3.07 -0.05 2.79 1.70 -1.07 -2.00 118.95 123.50 2eef s ARG 66 Ca 0.27 -0.81 0.03 0.00 -0.47 0.00 0.00 55.73 54.75 2eef s ARG 66 Cb -0.16 -2.56 0.01 0.00 -0.57 0.00 0.00 34.95 31.66 2eef s ARG 66 CO 0.13 -0.09 -0.13 1.41 -1.08 0.00 0.00 175.30 175.54 2eef s MET 67 N 1.04 1.51 0.09 3.89 1.75 -1.26 -0.96 119.30 125.36 2eef s MET 67 Ca -0.01 -0.43 0.06 0.00 -1.25 0.00 0.00 55.69 54.05 2eef s MET 67 Cb -0.14 -1.30 -0.04 0.00 2.84 0.00 0.00 34.83 36.18 2eef s MET 67 CO -0.06 0.11 -0.03 -0.08 -0.65 0.00 0.00 175.02 174.31 2eef s THR 68 N 0.36 3.82 -0.02 10.11 -1.32 0.29 -3.87 115.64 125.02 2eef s THR 68 Ca -0.08 -1.08 0.03 0.00 -1.21 0.00 0.00 61.69 59.35 2eef s THR 68 Cb -0.13 -2.81 0.04 0.00 -1.51 0.00 0.00 72.50 68.10 2eef s THR 68 CO 0.02 0.12 0.96 0.49 -2.21 0.00 0.00 174.62 174.00 2eef n PHE 69 N 0.61 0.00 -3.15 9.09 3.01 -1.25 -2.46 117.46 123.31 2eef n PHE 69 Ca -0.12 -0.51 -0.23 0.00 1.01 0.00 0.00 57.45 57.61 2eef n PHE 69 Cb 0.52 -0.06 -0.05 0.00 -0.01 0.00 0.00 39.48 39.88 2eef n PHE 69 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2eef n ASP 70 N -0.57 2.35 -4.13 4.37 8.00 -1.23 -4.55 116.55 120.79 2eef n ASP 70 Ca 0.02 -3.24 -0.33 0.00 0.71 0.00 0.00 54.79 51.96 2eef n ASP 70 Cb 0.35 -0.61 -0.08 0.00 -0.02 0.00 0.00 41.12 40.76 2eef n ASP 70 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2eef n THR 71 N 0.41 -0.38 -3.12 -3.53 -1.04 -1.14 0.43 114.28 105.90 2eef n THR 71 Ca 0.27 -0.19 -0.14 0.00 -2.04 0.00 0.00 64.05 61.95 2eef n THR 71 Cb 0.51 -0.63 0.07 0.00 -1.82 0.00 0.00 70.33 68.46 2eef n THR 71 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 2eef n TRP 72 N -3.83 -1.95 0.00 -1.42 7.02 -1.26 -4.95 117.44 111.05 2eef n TRP 72 Ca -0.07 0.77 0.00 0.00 -1.02 0.00 0.00 57.50 57.18 2eef n TRP 72 Cb 0.49 -4.33 0.00 0.00 -2.42 0.00 0.00 31.31 25.05 2eef n TRP 72 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2eef n LYS 73 N -3.38 3.08 -3.61 -0.99 5.02 0.17 -5.04 118.16 113.39 2eef n LYS 73 Ca -0.17 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.11 2eef n LYS 73 Cb 0.63 -0.94 -0.04 0.00 -0.02 0.00 0.00 35.03 34.66 2eef n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2eef s SER 74 N -2.91 -1.15 0.33 4.39 0.15 -1.26 -5.05 113.70 108.20 2eef s SER 74 Ca 0.00 1.51 0.05 0.00 0.70 0.00 0.00 55.95 58.22 2eef s SER 74 Cb 0.00 2.28 -0.03 0.00 -1.71 0.00 0.00 66.02 66.56 2eef s SER 74 CO 0.00 -0.22 0.22 -0.72 1.20 0.00 0.00 173.24 173.72 2eef s TYR 75 N 2.88 1.68 0.02 3.44 -0.85 -1.26 -3.95 117.35 119.32 2eef s TYR 75 Ca -0.04 -1.52 0.04 0.00 -0.52 0.00 0.00 57.07 55.03 2eef s TYR 75 Cb -0.12 -0.81 -0.02 0.00 0.38 0.00 0.00 41.96 41.39 2eef s TYR 75 CO -0.19 -0.68 -0.12 0.99 -1.52 0.00 0.00 175.55 174.03 2eef s THR 76 N -3.49 0.96 -0.19 -3.49 2.01 -1.25 -5.05 115.64 105.14 2eef s THR 76 Ca 0.36 -0.82 -0.26 0.00 0.31 0.00 0.00 61.69 61.28 2eef s THR 76 Cb 0.03 -0.86 -0.01 0.00 0.01 0.00 0.00 72.50 71.67 2eef s THR 76 CO 0.22 0.04 0.89 1.51 -0.69 0.00 0.00 174.62 176.59 2eef s ASP 77 N -0.89 6.99 -0.22 3.53 -4.77 -1.26 -4.08 116.67 115.97 2eef s ASP 77 Ca 0.01 1.22 -0.05 0.00 -3.30 0.00 0.00 52.55 50.43 2eef s ASP 77 Cb -0.07 -2.48 -0.02 0.00 -1.09 0.00 0.00 42.92 39.27 2eef s ASP 77 CO 0.01 -0.47 0.00 -0.36 0.70 0.00 0.00 175.17 175.04 2eef s PHE 78 N 2.45 3.01 0.22 2.11 0.08 -0.85 -5.02 117.98 119.98 2eef s PHE 78 Ca 0.40 -0.65 -0.30 0.00 0.12 0.00 0.00 56.93 56.50 2eef s PHE 78 Cb -0.16 -2.13 -0.09 0.00 -0.57 0.00 0.00 43.02 40.07 2eef s PHE 78 CO 0.11 -0.40 1.29 -1.25 -0.10 0.00 0.00 175.22 174.87 2eef s PRO 79 N 1.36 4.40 0.72 0.24 0.04 -1.26 -2.06 135.00 138.44 2eef s PRO 79 Ca 0.04 2.05 -0.07 0.00 0.04 0.00 0.00 61.00 63.07 2eef s PRO 79 Cb -0.15 -3.18 0.07 0.00 0.04 0.00 0.00 34.50 31.28 2eef s PRO 79 CO 0.00 -0.22 1.03 0.00 0.04 0.00 0.00 177.00 177.86 2eef s GLN 81 N -5.27 2.24 -0.17 0.00 -0.21 0.62 -4.96 119.66 111.91 2eef s GLN 81 Ca 0.61 -2.10 -0.00 0.00 0.02 0.00 0.00 55.36 53.89 2eef s GLN 81 Cb -0.10 -1.97 -0.00 0.00 1.00 0.00 0.00 33.01 31.94 2eef s GLN 81 CO 0.45 -0.55 -0.14 -0.47 -2.12 0.00 0.00 175.29 172.46 2eef s TYR 82 N -2.79 2.81 -0.35 0.91 5.04 -1.26 -2.53 117.35 119.18 2eef s TYR 82 Ca 0.28 -1.09 -0.14 0.00 -2.44 0.00 0.00 57.07 53.67 2eef s TYR 82 Cb -0.01 -1.93 -0.01 0.00 0.35 0.00 0.00 41.96 40.36 2eef s TYR 82 CO 0.17 -0.52 0.29 0.08 -1.34 0.00 0.00 175.55 174.22 2eef s VAL 83 N 0.97 5.24 -0.37 3.14 1.01 -1.12 -4.92 120.40 124.35 2eef s VAL 83 Ca -0.02 -0.18 0.06 0.00 0.00 0.00 0.00 61.98 61.83 2eef s VAL 83 Cb -0.15 -3.78 0.45 0.00 0.00 0.00 0.00 36.38 32.91 2eef s VAL 83 CO -0.02 -0.07 1.28 2.29 0.00 0.00 0.00 175.10 178.58 2eef n LYS 84 N 5.21 3.47 -2.45 2.72 2.85 -1.26 -4.69 118.16 124.01 2eef n LYS 84 Ca -0.11 -4.12 -0.23 0.00 -1.05 0.00 0.00 58.31 52.79 2eef n LYS 84 Cb 0.49 -2.28 0.05 0.00 -0.65 0.00 0.00 35.03 32.65 2eef n LYS 84 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2eef s ASP 85 N -3.35 5.11 0.31 -5.58 -1.08 -1.26 -4.97 116.67 105.85 2eef s ASP 85 Ca 0.52 0.24 0.06 0.00 -0.52 0.00 0.00 52.55 52.86 2eef s ASP 85 Cb 0.42 -1.04 0.75 0.00 -1.46 0.00 0.00 42.92 41.59 2eef s ASP 85 CO -0.02 -1.32 1.78 0.74 0.52 0.00 0.00 175.17 176.87 2eef h THR 86 N -0.22 0.70 -0.31 1.71 2.02 -2.03 -1.75 112.91 113.04 2eef h THR 86 Ca -0.43 -0.26 -0.27 0.00 0.77 0.00 0.00 66.41 66.21 2eef h THR 86 Cb 1.30 -0.12 -0.10 0.00 -1.74 0.00 0.00 68.15 67.50 2eef h THR 86 CO 0.56 0.14 -0.15 -1.22 0.37 0.00 0.00 175.52 175.22 2eef n TYR 87 N -4.76 0.46 -4.15 3.16 4.02 -1.26 -4.81 117.16 109.83 2eef n TYR 87 Ca 0.23 -1.62 -0.20 0.00 -0.01 0.00 0.00 57.90 56.31 2eef n TYR 87 Cb 0.58 -1.50 -0.16 0.00 -0.02 0.00 0.00 39.34 38.23 2eef n TYR 87 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2eef s ALA 88 N 0.18 0.67 1.04 -0.72 0.00 -0.66 -5.08 121.76 117.20 2eef s ALA 88 Ca 0.63 -0.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.37 2eef s ALA 88 Cb 0.33 -0.43 0.21 0.00 0.00 0.00 0.00 23.12 23.24 2eef s ALA 88 CO -0.06 -0.03 1.16 0.20 0.00 0.00 0.00 175.76 177.03 2eef s GLY 89 N 0.94 1.62 -0.16 0.00 0.00 -1.26 -4.95 107.32 103.50 2eef s GLY 89 Ca -0.11 -0.82 -0.16 0.00 0.00 0.00 0.00 44.72 43.64 2eef s GLY 89 CO -0.00 -0.08 -0.31 -1.26 0.00 0.00 0.00 173.10 171.45 2eef n SER 90 N -4.19 1.80 0.39 1.64 2.88 -1.26 -4.72 113.62 110.15 2eef n SER 90 Ca 0.11 0.35 -0.16 0.00 -1.33 0.00 0.00 58.87 57.84 2eef n SER 90 Cb 0.59 -0.74 -0.08 0.00 -0.75 0.00 0.00 64.21 63.23 2eef n SER 90 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2eef h ASP 91 N -0.93 -0.96 -3.33 -3.46 3.32 -1.98 -3.38 116.42 105.69 2eef h ASP 91 Ca 0.00 0.04 -0.59 0.00 0.02 0.00 0.00 57.03 56.50 2eef h ASP 91 Cb 0.87 0.26 -0.11 0.00 0.22 0.00 0.00 39.33 40.58 2eef h ASP 91 CO 0.00 -0.63 0.67 -0.13 -1.72 0.00 0.00 179.24 177.43 2eef s ARG 92 N -5.34 3.43 0.02 3.56 0.52 -1.26 -4.24 118.95 115.63 2eef s ARG 92 Ca -0.15 -0.02 -0.30 0.00 -0.52 0.00 0.00 55.73 54.73 2eef s ARG 92 Cb 0.02 -4.01 -0.04 0.00 0.52 0.00 0.00 34.95 31.44 2eef s ARG 92 CO 0.48 -1.46 1.13 -0.51 0.02 0.00 0.00 175.30 174.95 2eef s ASP 93 N 2.72 7.17 -0.37 0.23 1.01 -1.25 -4.29 116.67 121.89 2eef s ASP 93 Ca 0.35 1.86 -0.15 0.00 0.71 0.00 0.00 52.55 55.32 2eef s ASP 93 Cb -0.11 -2.57 -0.00 0.00 1.01 0.00 0.00 42.92 41.25 2eef s ASP 93 CO 0.23 -0.43 0.37 -0.89 0.21 0.00 0.00 175.17 174.66 2eef s THR 94 N 1.28 5.17 -0.19 -1.27 2.01 -1.26 -3.55 115.64 117.82 2eef s THR 94 Ca 0.56 -0.12 -0.08 0.00 0.31 0.00 0.00 61.69 62.36 2eef s THR 94 Cb -0.26 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 2eef s THR 94 CO 0.27 -0.18 0.08 -0.36 -0.69 0.00 0.00 174.62 173.74 2eef s PHE 95 N 2.00 3.27 0.36 4.92 0.08 -0.62 -2.78 117.98 125.20 2eef s PHE 95 Ca 0.11 0.09 -0.00 0.00 0.12 0.00 0.00 56.93 57.25 2eef s PHE 95 Cb -0.17 -2.12 -0.03 0.00 -0.57 0.00 0.00 43.02 40.13 2eef s PHE 95 CO 0.12 0.13 0.57 0.45 -0.10 0.00 0.00 175.22 176.39 2eef s SER 96 N 0.51 6.30 -0.00 1.36 0.15 -1.05 -0.30 113.70 120.67 2eef s SER 96 Ca 0.04 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.20 2eef s SER 96 Cb -0.12 -2.06 -0.00 0.00 -1.71 0.00 0.00 66.02 62.13 2eef s SER 96 CO 0.01 -0.32 -0.01 0.72 1.20 0.00 0.00 173.24 174.84 2eef s PHE 97 N -2.35 0.10 -0.32 3.44 -0.12 0.42 -0.28 117.98 118.87 2eef s PHE 97 Ca 0.41 -0.02 -0.01 0.00 -0.05 0.00 0.00 56.93 57.26 2eef s PHE 97 Cb -0.10 -0.07 0.11 0.00 -0.63 0.00 0.00 43.02 42.33 2eef s PHE 97 CO 0.37 -0.00 0.13 0.16 -0.05 0.00 0.00 175.22 175.83 2eef s ASP 98 N -0.00 3.73 -0.04 1.98 1.47 -1.26 -2.15 116.67 120.40 2eef s ASP 98 Ca 0.00 -1.71 -0.07 0.00 1.18 0.00 0.00 52.55 51.95 2eef s ASP 98 Cb -0.01 -0.69 -0.04 0.00 -0.34 0.00 0.00 42.92 41.84 2eef s ASP 98 CO -0.00 -0.39 0.22 -0.63 0.68 0.00 0.00 175.17 175.04 2eef s ILE 99 N 1.55 5.38 -0.30 2.11 1.01 -1.17 -4.95 121.20 124.84 2eef s ILE 99 Ca 0.11 0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.79 2eef s ILE 99 Cb -0.18 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 2eef s ILE 99 CO -0.23 0.47 0.43 -0.94 0.00 0.00 0.00 174.94 174.67 2eef s SER 100 N -1.44 6.29 0.60 3.58 1.04 -1.26 -1.30 113.70 121.21 2eef s SER 100 Ca 0.22 0.17 -0.17 0.00 0.48 0.00 0.00 55.95 56.65 2eef s SER 100 Cb -0.13 -2.23 -0.03 0.00 0.10 0.00 0.00 66.02 63.73 2eef s SER 100 CO 0.12 -0.30 1.10 -0.76 0.98 0.00 0.00 173.24 174.38 2eef s LEU 101 N 2.18 3.55 0.63 2.42 1.43 0.11 -4.94 118.68 124.08 2eef s LEU 101 Ca 0.16 2.02 -0.16 0.00 -1.03 0.00 0.00 54.13 55.12 2eef s LEU 101 Cb -0.16 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.49 2eef s LEU 101 CO 0.11 -1.37 1.11 -2.16 0.23 0.00 0.00 176.35 174.28 2eef s PRO 102 N -3.78 2.92 0.13 1.29 0.04 -1.26 -4.77 135.00 129.57 2eef s PRO 102 Ca 0.68 1.43 -0.20 0.00 0.04 0.00 0.00 61.00 62.95 2eef s PRO 102 Cb -0.20 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2eef s PRO 102 CO 0.35 -1.16 1.13 -0.85 0.04 0.00 0.00 177.00 176.50 2eef n GLU 103 N -2.19 -0.29 -4.08 4.56 0.28 -1.26 -4.72 120.64 112.94 2eef n GLU 103 Ca 0.11 1.11 -0.15 0.00 -0.16 0.00 0.00 57.16 58.07 2eef n GLU 103 Cb 0.52 -1.64 -0.04 0.00 1.43 0.00 0.00 31.44 31.71 2eef n GLU 103 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2eef s LYS 104 N -5.44 1.92 -0.25 3.44 -0.14 -1.26 -5.03 119.74 112.98 2eef s LYS 104 Ca -0.09 -1.75 -0.03 0.00 -1.36 0.00 0.00 55.97 52.74 2eef s LYS 104 Cb 0.10 0.45 0.14 0.00 -1.68 0.00 0.00 37.83 36.84 2eef s LYS 104 CO 0.47 -0.80 0.42 0.42 -0.76 0.00 0.00 175.35 175.11 2eef s ILE 105 N -3.04 -0.68 -0.22 2.17 1.01 -1.26 -5.02 121.20 114.15 2eef s ILE 105 Ca 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.90 2eef s ILE 105 Cb -0.01 -0.84 0.15 0.00 0.01 0.00 0.00 42.46 41.77 2eef s ILE 105 CO 0.20 -0.09 2.00 0.00 0.00 0.00 0.00 174.94 177.06 2eef n GLN 106 N 5.38 1.55 -3.51 2.79 1.13 -1.26 -4.81 117.38 118.65 2eef n GLN 106 Ca -0.03 -1.08 -0.25 0.00 -1.94 0.00 0.00 57.00 53.69 2eef n GLN 106 Cb 0.50 -1.42 -0.06 0.00 0.11 0.00 0.00 30.24 29.37 2eef n GLN 106 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2eef n SER 107 N 0.69 -0.59 -0.01 1.08 7.64 -1.26 -4.71 113.62 116.47 2eef n SER 107 Ca 0.21 -0.80 0.09 0.00 1.01 0.00 0.00 58.87 59.37 2eef n SER 107 Cb 0.56 -1.02 -0.13 0.00 -1.01 0.00 0.00 64.21 62.61 2eef n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2eef n TYR 108 N -2.93 0.00 -4.07 1.43 4.11 -1.26 -4.94 117.16 109.50 2eef n TYR 108 Ca -0.02 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.68 2eef n TYR 108 Cb 0.34 -0.38 -0.16 0.00 -0.00 0.00 0.00 39.34 39.14 2eef n TYR 108 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 2eef s GLU 109 N -3.18 0.73 0.56 -3.48 0.41 -1.26 -5.03 118.70 107.45 2eef s GLU 109 Ca -0.06 -0.05 -0.20 0.00 -0.41 0.00 0.00 54.97 54.25 2eef s GLU 109 Cb 0.11 -0.81 -0.06 0.00 -1.78 0.00 0.00 34.13 31.59 2eef s GLU 109 CO 0.73 -0.12 1.04 -2.13 -0.49 0.00 0.00 175.26 174.29 2eef n ARG 110 N 4.22 1.13 -3.65 1.61 3.00 -1.26 -4.76 116.66 116.94 2eef n ARG 110 Ca -0.22 0.42 -0.26 0.00 -0.00 0.00 0.00 57.85 57.79 2eef n ARG 110 Cb 0.51 -2.22 -0.17 0.00 0.00 0.00 0.00 32.46 30.58 2eef n ARG 110 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 2eef s MET 111 N -2.63 0.23 0.15 -0.14 -2.45 -1.26 -2.91 119.30 110.29 2eef s MET 111 Ca 0.73 -0.15 0.00 0.00 -1.25 0.00 0.00 55.69 55.02 2eef s MET 111 Cb -0.44 -1.83 -0.04 0.00 1.25 0.00 0.00 34.83 33.77 2eef s MET 111 CO 0.49 -0.64 0.03 -1.21 1.05 0.00 0.00 175.02 174.75 2eef s GLU 112 N 2.06 1.00 -0.10 4.11 8.01 -1.03 -3.34 118.70 129.41 2eef s GLU 112 Ca 0.01 -1.48 -0.09 0.00 0.01 0.00 0.00 54.97 53.43 2eef s GLU 112 Cb -0.16 0.04 0.03 0.00 -4.31 0.00 0.00 34.13 29.72 2eef s GLU 112 CO -0.08 -0.21 0.26 -0.59 0.01 0.00 0.00 175.26 174.65 2eef s PHE 113 N -3.89 -0.29 0.03 1.61 -0.12 -1.24 -0.54 117.98 113.54 2eef s PHE 113 Ca 0.24 0.71 0.08 0.00 -0.05 0.00 0.00 56.93 57.90 2eef s PHE 113 Cb 0.07 0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.53 2eef s PHE 113 CO 0.03 -0.14 -0.22 0.00 -0.05 0.00 0.00 175.22 174.83 2eef s ALA 114 N 0.18 1.88 -0.12 1.99 0.00 -0.14 -3.92 121.76 121.63 2eef s ALA 114 Ca -0.00 -1.09 -0.29 0.00 0.00 0.00 0.00 51.96 50.58 2eef s ALA 114 Cb -0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 2eef s ALA 114 CO 0.00 0.43 0.99 0.08 0.00 0.00 0.00 175.76 177.27 2eef s VAL 115 N -0.75 4.78 -0.43 0.00 1.01 -1.03 -2.61 120.40 121.37 2eef s VAL 115 Ca 0.09 2.01 -0.03 0.00 0.00 0.00 0.00 61.98 64.05 2eef s VAL 115 Cb -0.09 -4.30 0.11 0.00 0.00 0.00 0.00 36.38 32.11 2eef s VAL 115 CO 0.01 -0.01 0.22 -0.47 0.00 0.00 0.00 175.10 174.86 2eef s TYR 116 N 2.14 3.57 -0.39 5.22 5.04 -1.02 -2.20 117.35 129.72 2eef s TYR 116 Ca 0.47 -2.46 -0.11 0.00 -2.44 0.00 0.00 57.07 52.53 2eef s TYR 116 Cb -0.18 -3.22 0.04 0.00 0.35 0.00 0.00 41.96 38.96 2eef s TYR 116 CO 0.16 -0.96 0.22 -0.47 -1.34 0.00 0.00 175.55 173.16 2eef s TYR 117 N 1.02 3.26 -0.13 4.97 5.04 -0.77 -2.40 117.35 128.35 2eef s TYR 117 Ca 0.09 -1.11 -0.12 0.00 -2.44 0.00 0.00 57.07 53.50 2eef s TYR 117 Cb -0.23 -2.56 -0.05 0.00 0.35 0.00 0.00 41.96 39.48 2eef s TYR 117 CO -0.04 -0.70 0.25 -2.00 -1.34 0.00 0.00 175.55 171.71 2eef s GLU 118 N 1.52 3.96 -0.09 4.97 2.12 -0.65 -1.77 118.70 128.76 2eef s GLU 118 Ca 0.02 0.04 -0.31 0.00 0.36 0.00 0.00 54.97 55.08 2eef s GLU 118 Cb -0.20 -3.32 0.12 0.00 0.26 0.00 0.00 34.13 30.98 2eef s GLU 118 CO 0.06 0.48 0.99 0.00 -0.54 0.00 0.00 175.26 176.25 2eef n ASN 120 N 0.02 -2.61 -3.43 0.00 3.02 -1.26 0.82 115.26 111.81 2eef n ASN 120 Ca -0.07 -1.12 -0.25 0.00 -0.03 0.00 0.00 54.58 53.12 2eef n ASN 120 Cb 0.60 -2.24 0.04 0.00 -0.61 0.00 0.00 39.78 37.58 2eef n ASN 120 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2eef n GLY 121 N -1.26 -0.52 3.30 7.41 0.00 -1.26 -4.98 105.19 107.87 2eef n GLY 121 Ca 0.09 0.18 -0.16 0.00 0.00 0.00 0.00 46.02 46.14 2eef n GLY 121 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eef s GLN 122 N -6.13 1.38 -0.10 1.61 -0.21 0.24 -5.16 119.66 111.30 2eef s GLN 122 Ca 0.48 -1.74 0.00 0.00 0.02 0.00 0.00 55.36 54.13 2eef s GLN 122 Cb -0.22 -0.17 0.02 0.00 1.00 0.00 0.00 33.01 33.63 2eef s GLN 122 CO 0.60 -0.31 -0.09 0.99 -2.12 0.00 0.00 175.29 174.36 2eef s THR 123 N -3.82 1.06 -0.09 -0.19 2.01 -1.26 -2.38 115.64 110.97 2eef s THR 123 Ca 0.38 -0.35 0.02 0.00 0.31 0.00 0.00 61.69 62.04 2eef s THR 123 Cb 0.08 -1.05 -0.02 0.00 0.01 0.00 0.00 72.50 71.52 2eef s THR 123 CO 0.13 0.36 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.99 2eef s TYR 124 N 1.37 2.77 -0.10 4.92 2.02 -0.73 -5.00 117.35 122.60 2eef s TYR 124 Ca -0.01 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.33 2eef s TYR 124 Cb -0.14 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.68 2eef s TYR 124 CO -0.05 -0.01 -0.23 -1.58 -1.57 0.00 0.00 175.55 172.11 2eef s TRP 125 N -0.18 2.51 -0.31 2.71 0.52 -1.26 -1.84 118.94 121.09 2eef s TRP 125 Ca -0.00 -1.05 -0.01 0.00 0.02 0.00 0.00 56.10 55.07 2eef s TRP 125 Cb -0.13 -1.68 0.10 0.00 -1.15 0.00 0.00 33.47 30.60 2eef s TRP 125 CO 0.03 -0.43 0.10 0.34 0.02 0.00 0.00 176.95 177.01 2eef s ASP 126 N 0.40 4.06 -0.24 2.95 -1.08 -0.94 -4.97 116.67 116.85 2eef s ASP 126 Ca -0.18 -1.66 -0.02 0.00 -0.52 0.00 0.00 52.55 50.18 2eef s ASP 126 Cb -0.18 -0.89 0.07 0.00 -1.46 0.00 0.00 42.92 40.46 2eef s ASP 126 CO 0.08 -0.41 0.05 -0.94 0.52 0.00 0.00 175.17 174.46 2eef s SER 127 N 1.59 3.43 -0.16 -0.34 1.04 -1.26 -2.47 113.70 115.53 2eef s SER 127 Ca 0.10 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.37 2eef s SER 127 Cb -0.17 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.19 2eef s SER 127 CO -0.25 -0.34 0.00 0.59 0.98 0.00 0.00 173.24 174.23 2eef n ASN 128 N 4.94 -1.30 -2.87 7.02 4.13 -1.26 -1.15 115.26 124.78 2eef n ASN 128 Ca -0.07 0.40 -0.16 0.00 1.68 0.00 0.00 54.58 56.43 2eef n ASN 128 Cb 0.45 -1.28 -0.03 0.00 -1.54 0.00 0.00 39.78 37.38 2eef n ASN 128 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2eef n ARG 129 N -2.35 -1.58 0.00 3.52 1.74 -1.26 -4.28 116.66 112.45 2eef n ARG 129 Ca -0.02 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2eef n ARG 129 Cb 0.45 -3.33 0.00 0.00 -1.02 0.00 0.00 32.46 28.57 2eef n ARG 129 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2eef n GLY 130 N -0.65 -0.75 0.00 -0.13 0.00 -0.30 -5.08 105.19 98.28 2eef n GLY 130 Ca 0.05 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.61 2eef n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2eef n LYS 131 N 0.00 0.00 -3.61 1.61 4.76 -1.26 -4.84 118.16 114.83 2eef n LYS 131 Ca 0.00 0.11 -0.04 0.00 -2.87 0.00 0.00 58.31 55.51 2eef n LYS 131 Cb 0.00 -0.48 -0.03 0.00 -1.84 0.00 0.00 35.03 32.69 2eef n LYS 131 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2eef s ASN 132 N -2.12 -0.13 -0.47 4.39 4.22 -1.26 -4.87 114.94 114.71 2eef s ASN 132 Ca 0.00 0.04 -0.27 0.00 -2.14 0.00 0.00 52.86 50.49 2eef s ASN 132 Cb 0.00 0.13 -0.03 0.00 1.28 0.00 0.00 41.25 42.63 2eef s ASN 132 CO 0.00 -0.19 1.97 -0.31 -2.04 0.00 0.00 177.10 176.53 2eef s TYR 133 N -2.06 1.57 -0.25 1.54 2.02 -1.25 -4.71 117.35 114.20 2eef s TYR 133 Ca 0.09 0.86 -0.19 0.00 -0.37 0.00 0.00 57.07 57.46 2eef s TYR 133 Cb -0.01 -4.00 -0.02 0.00 -0.40 0.00 0.00 41.96 37.53 2eef s TYR 133 CO -0.04 -2.69 0.57 0.50 -1.57 0.00 0.00 175.55 172.32 2eef s ARG 134 N 6.76 4.10 -0.34 -0.62 3.52 -1.26 -3.60 118.95 127.50 2eef s ARG 134 Ca 0.79 0.44 -0.09 0.00 -0.13 0.00 0.00 55.73 56.74 2eef s ARG 134 Cb -0.18 -3.64 0.02 0.00 -1.56 0.00 0.00 34.95 29.58 2eef s ARG 134 CO 0.27 -0.37 0.16 0.42 -0.81 0.00 0.00 175.30 174.97 2eef s ILE 135 N 2.36 4.41 0.39 4.11 1.01 -1.21 -3.11 121.20 129.15 2eef s ILE 135 Ca 0.24 -0.75 0.08 0.00 0.00 0.00 0.00 60.65 60.22 2eef s ILE 135 Cb -0.16 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 2eef s ILE 135 CO 0.09 -0.10 0.27 0.27 0.00 0.00 0.00 174.94 175.47 2eef s ILE 136 N 1.55 2.81 0.82 2.92 -4.36 -1.10 -4.83 121.20 119.00 2eef s ILE 136 Ca 0.02 -1.50 -0.12 0.00 -0.26 0.00 0.00 60.65 58.79 2eef s ILE 136 Cb -0.18 -3.03 0.08 0.00 1.25 0.00 0.00 42.46 40.58 2eef s ILE 136 CO 0.05 -0.07 1.12 -0.60 0.24 0.00 0.00 174.94 175.69 2eef s ARG 137 N -4.00 1.92 0.20 0.37 3.52 -1.26 -0.78 118.95 118.92 2eef s ARG 137 Ca 0.43 0.40 -0.02 0.00 -0.13 0.00 0.00 55.73 56.41 2eef s ARG 137 Cb -0.02 -1.92 0.14 0.00 -1.56 0.00 0.00 34.95 31.60 2eef s ARG 137 CO 0.25 -1.69 1.52 0.00 -0.81 0.00 0.00 175.30 174.58 2eef h ALA 138 N -1.13 0.73 0.00 6.12 0.00 -1.54 -2.91 119.26 120.54 2eef h ALA 138 Ca -0.47 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 53.92 2eef h ALA 138 Cb 1.30 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2eef h ALA 138 CO 0.62 0.69 -0.04 1.05 0.00 0.00 0.00 179.25 181.57 2eef h GLU 139 N 0.39 0.00 -6.03 0.00 4.11 -1.94 -3.41 114.58 107.71 2eef h GLU 139 Ca 0.01 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.75 2eef h GLU 139 Cb 1.07 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.03 2eef h GLU 139 CO 0.10 0.04 -0.85 -0.51 0.07 0.00 0.00 179.01 177.85 2eef s LEU 140 N -7.40 2.25 -0.30 3.06 1.43 -1.10 -5.09 118.68 111.53 2eef s LEU 140 Ca -0.04 -0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 52.46 2eef s LEU 140 Cb 0.14 -1.43 0.17 0.00 0.03 0.00 0.00 46.19 45.11 2eef s LEU 140 CO 0.55 0.26 1.06 -0.75 0.23 0.00 0.00 176.35 177.69 2eef s LYS 141 N -0.23 0.24 -1.77 1.70 2.36 -1.26 -4.31 119.74 116.47 2eef s LYS 141 Ca -0.01 0.55 -0.16 0.00 -2.55 0.00 0.00 55.97 53.80 2eef s LYS 141 Cb -0.13 0.27 0.16 0.00 -1.05 0.00 0.00 37.83 37.08 2eef s LYS 141 CO 0.03 -0.07 0.46 -1.13 1.55 0.00 0.00 175.35 176.19 2eef n SER 142 N 4.53 -1.21 0.04 1.43 3.41 -1.26 -4.82 113.62 115.74 2eef n SER 142 Ca -0.11 -1.23 -0.21 0.00 -0.26 0.00 0.00 58.87 57.06 2eef n SER 142 Cb 0.54 -1.76 -0.14 0.00 -0.26 0.00 0.00 64.21 62.58 2eef n SER 142 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2eef h THR 143 N -1.20 1.22 -3.55 6.66 1.03 -1.98 -3.46 112.91 111.63 2eef h THR 143 Ca -0.62 -2.49 -0.68 0.00 -0.01 0.00 0.00 66.41 62.61 2eef h THR 143 Cb 1.39 2.93 -0.19 0.00 -1.07 0.00 0.00 68.15 71.22 2eef h THR 143 CO 0.83 0.73 -0.68 -1.58 -0.01 0.00 0.00 175.52 174.82 2eef s GLN 144 N -2.48 2.91 0.00 0.00 2.00 -1.26 -5.08 119.66 115.75 2eef s GLN 144 Ca -0.16 -0.52 0.00 0.00 -2.00 0.00 0.00 55.36 52.68 2eef s GLN 144 Cb 0.03 -2.67 0.00 0.00 0.80 0.00 0.00 33.01 31.17 2eef s GLN 144 CO 0.82 0.62 0.00 0.41 -0.50 0.00 0.00 175.29 176.63 2eef n GLY 145 N 2.38 -0.03 2.67 2.59 0.00 -1.26 -4.99 105.19 106.55 2eef n GLY 145 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 2eef n GLY 145 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2eef n MET 146 N 0.00 -4.53 -1.67 1.61 0.00 -1.26 -4.93 117.12 106.34 2eef n MET 146 Ca 0.00 0.49 -0.46 0.00 0.00 0.00 0.00 57.70 57.73 2eef n MET 146 Cb 0.00 -4.48 -0.04 0.00 0.00 0.00 0.00 33.22 28.70 2eef n MET 146 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2eef n THR 147 N -3.75 0.07 -3.92 1.12 5.66 -1.26 -4.99 114.28 107.21 2eef n THR 147 Ca -0.03 -0.01 -0.11 0.00 -3.05 0.00 0.00 64.05 60.85 2eef n THR 147 Cb 0.55 -1.61 -0.13 0.00 -1.55 0.00 0.00 70.33 67.59 2eef n THR 147 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2eef s LYS 148 N 1.30 0.14 0.26 1.09 -2.85 -1.26 -5.14 119.74 113.28 2eef s LYS 148 Ca 0.80 -0.26 -0.30 0.00 -1.00 0.00 0.00 55.97 55.21 2eef s LYS 148 Cb -0.67 0.05 -0.09 0.00 -2.06 0.00 0.00 37.83 35.06 2eef s LYS 148 CO 0.39 -0.02 1.27 -1.25 0.10 0.00 0.00 175.35 175.83 2eef s PRO 149 N -0.65 4.43 0.01 1.78 0.04 -1.26 -5.04 135.00 134.31 2eef s PRO 149 Ca -0.07 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 62.94 2eef s PRO 149 Cb -0.04 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2eef s PRO 149 CO -0.00 -0.14 0.15 -3.38 0.04 0.00 0.00 177.00 173.67 2eef s HIS 150 N -0.54 0.04 0.35 0.56 -3.43 -1.26 -5.17 115.29 105.84 2eef s HIS 150 Ca 0.52 -0.15 -0.15 0.00 -0.80 0.00 0.00 55.06 54.47 2eef s HIS 150 Cb -0.37 -0.04 0.04 0.00 -1.43 0.00 0.00 32.58 30.78 2eef s HIS 150 CO 0.43 -0.32 0.72 -1.54 -2.00 0.00 0.00 174.74 172.04 2eef s SER 151 N -1.52 0.04 0.00 7.38 1.04 -1.26 -5.18 113.70 114.20 2eef s SER 151 Ca -0.13 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.25 2eef s SER 151 Cb -0.06 0.79 0.00 0.00 0.10 0.00 0.00 66.02 66.85 2eef s SER 151 CO 0.01 -1.54 0.00 0.61 0.98 0.00 0.00 173.24 173.30 2eef n GLY 152 N -0.51 -0.20 3.77 7.32 0.00 -1.26 -5.13 105.19 109.18 2eef n GLY 152 Ca -0.06 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 2eef n GLY 152 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2eef s PRO 153 N -1.93 2.71 0.89 1.61 0.04 -1.26 -5.04 135.00 132.03 2eef s PRO 153 Ca 0.00 1.36 -0.12 0.00 0.04 0.00 0.00 61.00 62.28 2eef s PRO 153 Cb 0.00 -1.94 0.13 0.00 0.04 0.00 0.00 34.50 32.73 2eef s PRO 153 CO 0.00 -1.31 1.13 0.16 0.04 0.00 0.00 177.00 177.01 2eef s ASP 154 N -2.70 3.65 -0.20 6.66 -4.77 -1.26 -4.90 116.67 113.15 2eef s ASP 154 Ca 0.66 1.06 -0.38 0.00 -3.30 0.00 0.00 52.55 50.58 2eef s ASP 154 Cb -0.20 -1.67 -0.15 0.00 -1.09 0.00 0.00 42.92 39.81 2eef s ASP 154 CO 0.44 -2.47 1.74 -0.11 0.70 0.00 0.00 175.17 175.46 2eef n LEU 155 N -3.73 2.58 0.00 2.11 -0.00 -1.26 -5.22 117.00 111.49 2eef n LEU 155 Ca 0.07 1.06 0.00 0.00 -0.00 0.00 0.00 56.01 57.13 2eef n LEU 155 Cb 0.58 -1.20 0.00 0.00 -0.00 0.00 0.00 43.42 42.80 2eef n LEU 155 CO 0.57 -0.39 0.00 0.61 -0.00 0.00 0.00 177.39 178.18