#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eef n SER 2 N 0.00 3.43 -4.70 1.61 7.64 -1.26 -4.93 113.62 115.41 2eef n SER 2 Ca 0.00 1.15 -0.42 0.00 1.01 0.00 0.00 58.87 60.61 2eef n SER 2 Cb 0.00 -1.60 -0.03 0.00 -1.01 0.00 0.00 64.21 61.57 2eef n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2eef s SER 3 N -0.36 7.01 0.98 6.43 1.04 -1.26 -4.99 113.70 122.55 2eef s SER 3 Ca 0.59 2.02 -0.15 0.00 0.48 0.00 0.00 55.95 58.89 2eef s SER 3 Cb -0.46 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.09 2eef s SER 3 CO 0.60 -0.56 0.08 0.61 0.98 0.00 0.00 173.24 174.95 2eef n GLY 4 N 3.35 -2.58 2.28 7.32 0.00 -1.26 -4.91 105.19 109.39 2eef n GLY 4 Ca 0.10 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 2eef n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eef n SER 5 N -0.36 6.20 -4.50 1.61 7.64 -1.26 -4.97 113.62 117.97 2eef n SER 5 Ca 0.04 -3.77 -0.43 0.00 1.01 0.00 0.00 58.87 55.72 2eef n SER 5 Cb 0.56 -0.66 -0.04 0.00 -1.01 0.00 0.00 64.21 63.05 2eef n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2eef s SER 6 N -2.69 6.29 -0.05 6.43 0.01 -1.26 -4.64 113.70 117.79 2eef s SER 6 Ca 0.56 -0.53 -0.04 0.00 1.31 0.00 0.00 55.95 57.25 2eef s SER 6 Cb 0.45 -2.43 0.01 0.00 0.21 0.00 0.00 66.02 64.26 2eef s SER 6 CO -0.05 -1.30 0.07 0.61 0.41 0.00 0.00 173.24 172.99 2eef n GLY 7 N 5.18 -4.05 3.63 3.44 0.00 -1.26 -5.11 105.19 107.02 2eef n GLY 7 Ca 0.00 0.30 -0.06 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.28 -2.07 -0.21 4.61 0.00 -1.26 -5.15 121.76 117.40 2eef s ALA 8 Ca -0.09 1.76 -0.00 0.00 0.00 0.00 0.00 51.96 53.63 2eef s ALA 8 Cb 0.01 -1.44 0.05 0.00 0.00 0.00 0.00 23.12 21.74 2eef s ALA 8 CO 0.23 -0.20 -0.04 -1.83 0.00 0.00 0.00 175.76 173.92 2eef s GLU 9 N -0.26 1.47 0.11 0.00 -1.05 -1.26 -5.12 118.70 112.58 2eef s GLU 9 Ca 0.05 -0.77 -0.23 0.00 -0.15 0.00 0.00 54.97 53.86 2eef s GLU 9 Cb -0.04 -2.36 -0.07 0.00 -0.44 0.00 0.00 34.13 31.22 2eef s GLU 9 CO -0.08 -0.55 0.71 -1.12 0.95 0.00 0.00 175.26 175.16 2eef s SER 10 N 1.52 7.24 1.14 0.83 0.01 -1.26 -5.05 113.70 118.14 2eef s SER 10 Ca -0.03 1.47 -0.13 0.00 1.31 0.00 0.00 55.95 58.57 2eef s SER 10 Cb -0.17 -2.45 0.25 0.00 0.21 0.00 0.00 66.02 63.85 2eef s SER 10 CO -0.07 0.19 0.86 -0.62 0.41 0.00 0.00 173.24 174.00 2eef n GLU 11 N 1.91 -2.13 -0.75 12.44 1.02 -1.26 -4.97 120.64 126.91 2eef n GLU 11 Ca -0.06 -0.59 -0.29 0.00 -0.02 0.00 0.00 57.16 56.19 2eef n GLU 11 Cb 0.50 -2.11 0.20 0.00 -0.02 0.00 0.00 31.44 30.01 2eef n GLU 11 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2eef s SER 12 N -2.33 2.06 0.37 1.62 0.01 -1.26 -4.84 113.70 109.32 2eef s SER 12 Ca 0.66 1.68 0.08 0.00 1.31 0.00 0.00 55.95 59.68 2eef s SER 12 Cb -0.23 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2eef s SER 12 CO 0.65 -3.56 0.17 -0.36 0.41 0.00 0.00 173.24 170.55 2eef s PHE 13 N -2.63 2.67 0.27 2.43 0.40 -1.26 -2.32 117.98 117.55 2eef s PHE 13 Ca 0.67 -0.45 0.03 0.00 -0.60 0.00 0.00 56.93 56.58 2eef s PHE 13 Cb -0.23 -1.76 -0.01 0.00 0.51 0.00 0.00 43.02 41.53 2eef s PHE 13 CO 0.61 0.27 0.11 1.33 0.70 0.00 0.00 175.22 178.24 2eef n VAL 14 N -1.20 0.00 -4.63 -0.44 0.24 0.97 -4.65 118.33 108.62 2eef n VAL 14 Ca -0.02 -1.63 -0.34 0.00 -2.04 0.00 0.00 64.34 60.31 2eef n VAL 14 Cb 0.62 0.61 -0.12 0.00 -1.47 0.00 0.00 33.84 33.48 2eef n VAL 14 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2eef s LEU 15 N 0.00 3.08 -0.26 1.34 1.43 -1.26 -2.76 118.68 120.25 2eef s LEU 15 Ca 0.16 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 2eef s LEU 15 Cb 0.01 -1.68 0.41 0.00 0.03 0.00 0.00 46.19 44.95 2eef s LEU 15 CO 0.11 0.30 1.53 -0.67 0.23 0.00 0.00 176.35 177.85 2eef n ASP 16 N 2.65 3.47 -3.67 2.29 -0.08 -1.04 -4.87 116.55 115.30 2eef n ASP 16 Ca -0.18 -2.94 -0.13 0.00 -1.51 0.00 0.00 54.79 50.03 2eef n ASP 16 Cb 0.53 -0.70 -0.07 0.00 2.34 0.00 0.00 41.12 43.22 2eef n ASP 16 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2eef s PHE 17 N -1.98 -0.29 0.02 -0.67 -0.71 -1.26 -4.91 117.98 108.18 2eef s PHE 17 Ca 0.34 0.33 -0.24 0.00 -1.04 0.00 0.00 56.93 56.31 2eef s PHE 17 Cb 0.28 0.21 -0.05 0.00 -1.21 0.00 0.00 43.02 42.25 2eef s PHE 17 CO 0.07 -0.53 0.74 -1.54 -1.34 0.00 0.00 175.22 172.61 2eef s SER 18 N -1.77 7.15 0.17 1.98 1.04 -1.26 -4.99 113.70 116.02 2eef s SER 18 Ca -0.08 1.37 -0.28 0.00 0.48 0.00 0.00 55.95 57.44 2eef s SER 18 Cb -0.02 -2.45 -0.17 0.00 0.10 0.00 0.00 66.02 63.49 2eef s SER 18 CO 0.00 -0.00 0.56 0.00 0.98 0.00 0.00 173.24 174.78 2eef n GLN 19 N 2.99 0.00 -0.05 4.02 1.13 -1.26 -4.88 117.38 119.33 2eef n GLN 19 Ca -0.03 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.90 2eef n GLN 19 Cb 0.51 -1.01 -0.07 0.00 0.11 0.00 0.00 30.24 29.77 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 1.18 0.32 -1.02 -1.09 0.13 -1.81 -3.18 132.00 126.52 2eef h PRO 20 Ca -0.29 -0.17 0.26 0.00 -0.87 0.00 0.00 66.00 64.94 2eef h PRO 20 Cb 1.38 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.39 2eef h PRO 20 CO 0.55 0.71 0.62 1.03 -0.23 0.00 0.00 178.00 180.68 2eef h SER 21 N -0.07 0.59 -0.77 1.44 0.87 -1.70 -1.30 113.55 112.61 2eef h SER 21 Ca 0.02 0.13 0.18 0.00 -1.23 0.00 0.00 61.79 60.89 2eef h SER 21 Cb 0.65 0.04 -0.14 0.00 -0.44 0.00 0.00 62.40 62.50 2eef h SER 21 CO 0.03 0.07 -0.09 0.00 -0.53 0.00 0.00 176.83 176.31 2eef n ALA 22 N -2.36 0.29 -3.24 6.23 0.00 -1.20 -3.09 120.51 117.15 2eef n ALA 22 Ca 0.27 0.83 -0.46 0.00 0.00 0.00 0.00 53.44 54.09 2eef n ALA 22 Cb 0.82 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 19.67 2eef n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2eef s ASP 23 N -5.10 6.21 0.27 0.00 1.01 -0.49 -4.92 116.67 113.64 2eef s ASP 23 Ca -0.11 -1.70 -0.04 0.00 0.71 0.00 0.00 52.55 51.42 2eef s ASP 23 Cb 0.22 -2.24 0.35 0.00 1.01 0.00 0.00 42.92 42.25 2eef s ASP 23 CO 0.60 -0.94 1.92 0.22 0.21 0.00 0.00 175.17 177.18 2eef h TYR 24 N 8.96 1.20 0.25 4.23 3.20 -1.79 0.14 116.97 133.16 2eef h TYR 24 Ca -0.28 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.61 2eef h TYR 24 Cb 1.09 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.96 2eef h TYR 24 CO 0.78 0.71 -0.12 -0.07 -1.64 0.00 0.00 178.16 177.82 2eef h LEU 25 N 1.25 -0.28 -1.29 2.82 -0.00 -1.91 -0.61 115.31 115.29 2eef h LEU 25 Ca 0.38 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 58.27 2eef h LEU 25 Cb -0.03 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 2eef h LEU 25 CO -0.11 0.07 0.17 -0.78 -0.00 0.00 0.00 178.44 177.79 2eef h ASP 26 N -0.87 0.00 0.00 -0.43 3.58 -1.93 -1.30 116.42 115.47 2eef h ASP 26 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 2eef h ASP 26 Cb 0.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2eef h ASP 26 CO 0.06 0.00 -0.47 0.15 -2.88 0.00 0.00 179.24 176.10 2eef h PHE 27 N 0.00 0.00 -0.89 0.28 3.04 -0.70 -3.38 116.94 115.29 2eef h PHE 27 Ca 0.00 0.00 0.23 0.00 3.98 0.00 0.00 57.97 62.18 2eef h PHE 27 Cb 0.34 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.80 2eef h PHE 27 CO 0.00 0.00 0.61 0.07 -2.02 0.00 0.00 178.31 176.97 2eef h ARG 28 N -0.94 0.20 -0.85 1.11 0.11 -0.71 0.15 114.38 113.45 2eef h ARG 28 Ca 0.00 -0.01 0.11 0.00 0.10 0.00 0.00 59.98 60.18 2eef h ARG 28 Cb 0.47 -0.05 -0.06 0.00 1.11 0.00 0.00 29.97 31.44 2eef h ARG 28 CO 0.00 0.13 0.55 -0.91 0.10 0.00 0.00 179.97 179.85 2eef h ASN 29 N 0.21 0.69 0.51 0.08 2.35 -1.43 0.28 115.58 118.26 2eef h ASN 29 Ca 0.45 0.03 -0.27 0.00 -0.55 0.00 0.00 56.30 55.95 2eef h ASN 29 Cb 1.42 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 39.69 2eef h ASN 29 CO -0.10 0.39 -1.21 0.03 -1.65 0.00 0.00 177.43 174.89 2eef h ARG 30 N 0.75 0.35 0.00 0.81 2.47 -0.88 -1.11 114.38 116.77 2eef h ARG 30 Ca 0.41 -0.53 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 2eef h ARG 30 Cb 0.54 0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.05 2eef h ARG 30 CO -0.17 1.23 0.00 -0.11 0.56 0.00 0.00 179.97 181.48 2eef n LEU 31 N -3.61 0.01 -0.05 3.04 7.94 -0.55 0.24 117.00 124.02 2eef n LEU 31 Ca -0.09 0.50 -0.03 0.00 -1.11 0.00 0.00 56.01 55.28 2eef n LEU 31 Cb 0.99 -0.50 -0.11 0.00 0.53 0.00 0.00 43.42 44.33 2eef n LEU 31 CO 0.54 -0.09 -0.88 1.67 -1.11 0.00 0.00 177.39 177.52 2eef n GLN 32 N -1.51 1.36 -0.05 1.96 7.27 0.88 -2.89 117.38 124.40 2eef n GLN 32 Ca 0.06 -0.04 -0.03 0.00 0.07 0.00 0.00 57.00 57.05 2eef n GLN 32 Cb 0.28 -1.36 -0.15 0.00 2.41 0.00 0.00 30.24 31.42 2eef n GLN 32 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2eef n ALA 33 N -2.39 1.89 0.22 1.69 0.00 -0.42 -4.45 120.51 117.05 2eef n ALA 33 Ca -0.17 -0.98 0.02 0.00 0.00 0.00 0.00 53.44 52.30 2eef n ALA 33 Cb 0.81 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.66 0.23 -2.36 0.00 2.03 0.14 -5.00 116.55 108.93 2eef n ASP 34 Ca -0.21 -0.62 -0.20 0.00 0.52 0.00 0.00 54.79 54.28 2eef n ASP 34 Cb 0.96 0.99 -0.00 0.00 -0.72 0.00 0.00 41.12 42.35 2eef n ASP 34 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2eef n HIS 35 N -1.09 -1.12 -3.64 -0.67 8.25 -1.02 -4.81 115.22 111.12 2eef n HIS 35 Ca 0.01 0.10 -0.06 0.00 -0.26 0.00 0.00 57.72 57.51 2eef n HIS 35 Cb 0.07 -3.89 -0.07 0.00 1.12 0.00 0.00 29.99 27.22 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 -3.01 0.00 -0.29 1.59 0.11 -1.23 -3.37 120.40 114.20 2eef s VAL 36 Ca 0.06 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.88 2eef s VAL 36 Cb -0.03 -1.00 0.14 0.00 -1.53 0.00 0.00 36.38 33.96 2eef s VAL 36 CO 0.07 0.00 1.06 0.00 -3.33 0.00 0.00 175.10 172.90 2eef s LEU 38 N 0.52 4.34 -0.03 0.00 2.96 -1.26 -0.81 118.68 124.40 2eef s LEU 38 Ca 0.00 2.10 -0.05 0.00 -0.22 0.00 0.00 54.13 55.96 2eef s LEU 38 Cb -0.05 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 2eef s LEU 38 CO -0.10 -0.63 0.32 -0.08 -1.32 0.00 0.00 176.35 174.54 2eef h GLU 39 N 7.32 -0.16 -2.94 1.98 4.81 -0.91 -3.39 114.58 121.28 2eef h GLU 39 Ca -0.39 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 58.72 2eef h GLU 39 Cb 1.19 0.04 -0.23 0.00 0.63 0.00 0.00 28.75 30.38 2eef h GLU 39 CO 0.87 -0.11 -0.30 0.54 -0.73 0.00 0.00 179.01 179.28 2eef s ASN 40 N -3.98 -0.31 -0.25 1.04 4.22 -1.21 -2.64 114.94 111.81 2eef s ASN 40 Ca -0.02 0.52 -0.01 0.00 -2.14 0.00 0.00 52.86 51.20 2eef s ASN 40 Cb 0.00 0.59 0.08 0.00 1.28 0.00 0.00 41.25 43.20 2eef s ASN 40 CO 0.07 -0.21 0.04 0.00 -2.04 0.00 0.00 177.10 174.97 2eef s VAL 42 N 1.66 4.00 -0.03 0.00 -7.23 0.32 -4.92 120.40 114.20 2eef s VAL 42 Ca 0.03 -0.35 0.07 0.00 -1.81 0.00 0.00 61.98 59.91 2eef s VAL 42 Cb -0.17 -3.50 -0.02 0.00 0.56 0.00 0.00 36.38 33.24 2eef s VAL 42 CO -0.15 -0.40 -0.23 -0.22 -0.31 0.00 0.00 175.10 173.80 2eef s LEU 43 N -4.65 2.23 0.00 1.32 0.20 -1.26 -1.70 118.68 114.82 2eef s LEU 43 Ca 0.49 -0.40 0.05 0.00 0.69 0.00 0.00 54.13 54.96 2eef s LEU 43 Cb -0.10 -1.40 -0.02 0.00 -0.43 0.00 0.00 46.19 44.24 2eef s LEU 43 CO 0.40 0.32 0.19 0.29 -0.29 0.00 0.00 176.35 177.25 2eef n LYS 44 N 2.48 0.51 -1.66 1.98 5.02 0.16 -4.98 118.16 121.68 2eef n LYS 44 Ca -0.16 -3.29 -0.46 0.00 -2.02 0.00 0.00 58.31 52.38 2eef n LYS 44 Cb 0.51 2.12 -0.04 0.00 -0.02 0.00 0.00 35.03 37.60 2eef n LYS 44 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2eef n ASP 45 N -1.62 3.58 -3.58 4.39 8.00 -1.26 -2.20 116.55 123.87 2eef n ASP 45 Ca -0.01 0.85 -0.27 0.00 0.71 0.00 0.00 54.79 56.07 2eef n ASP 45 Cb 0.59 -1.43 -0.05 0.00 -0.02 0.00 0.00 41.12 40.21 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 7.21 -1.22 -3.49 -1.24 4.01 -1.26 -4.81 118.16 117.36 2eef n LYS 46 Ca 0.24 0.09 -0.10 0.00 -0.51 0.00 0.00 58.31 58.02 2eef n LYS 46 Cb 0.34 -3.87 -0.03 0.00 -0.51 0.00 0.00 35.03 30.96 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 -2.57 -1.78 0.29 7.82 0.00 -0.93 -1.39 121.76 123.20 2eef s ALA 47 Ca 0.53 0.98 0.02 0.00 0.00 0.00 0.00 51.96 53.49 2eef s ALA 47 Cb -0.31 0.37 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 2eef s ALA 47 CO 0.65 -0.64 0.09 0.96 0.00 0.00 0.00 175.76 176.81 2eef s ILE 48 N -2.90 0.77 -0.25 0.00 -4.36 0.24 0.39 121.20 115.09 2eef s ILE 48 Ca 0.02 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.20 2eef s ILE 48 Cb -0.01 -2.68 0.06 0.00 1.25 0.00 0.00 42.46 41.09 2eef s ILE 48 CO -0.07 0.00 0.65 0.00 0.24 0.00 0.00 174.94 175.75 2eef s ALA 49 N -3.56 -1.62 -0.05 2.27 0.00 -0.69 -3.07 121.76 115.04 2eef s ALA 49 Ca 0.37 1.89 -0.29 0.00 0.00 0.00 0.00 51.96 53.92 2eef s ALA 49 Cb 0.08 -1.10 0.10 0.00 0.00 0.00 0.00 23.12 22.19 2eef s ALA 49 CO 0.15 -0.31 0.81 0.20 0.00 0.00 0.00 175.76 176.61 2eef s GLY 50 N 0.52 -0.46 -0.13 0.00 0.00 -0.98 0.12 107.32 106.39 2eef s GLY 50 Ca -0.01 1.39 0.00 0.00 0.00 0.00 0.00 44.72 46.10 2eef s GLY 50 CO -0.02 0.76 -0.14 -0.51 0.00 0.00 0.00 173.10 173.19 2eef s THR 51 N -1.86 2.91 -0.01 0.90 -4.23 -0.51 -0.93 115.64 111.90 2eef s THR 51 Ca -0.03 -0.71 -0.01 0.00 -1.18 0.00 0.00 61.69 59.76 2eef s THR 51 Cb -0.00 -2.21 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 2eef s THR 51 CO 0.01 0.53 0.08 -0.69 -0.54 0.00 0.00 174.62 174.01 2eef s VAL 52 N 0.38 4.77 0.12 2.29 1.01 0.93 -0.19 120.40 129.71 2eef s VAL 52 Ca -0.12 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.52 2eef s VAL 52 Cb -0.16 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2eef s VAL 52 CO 0.06 0.37 0.16 -0.54 0.00 0.00 0.00 175.10 175.15 2eef s LYS 53 N -1.69 3.11 0.01 2.72 -0.14 0.01 -2.43 119.74 121.34 2eef s LYS 53 Ca 0.22 -0.68 -0.11 0.00 -1.36 0.00 0.00 55.97 54.05 2eef s LYS 53 Cb -0.12 -2.81 0.01 0.00 -1.68 0.00 0.00 37.83 33.23 2eef s LYS 53 CO 0.13 0.54 0.23 0.14 -0.76 0.00 0.00 175.35 175.63 2eef s VAL 54 N -1.60 0.08 0.23 3.17 -7.23 -1.25 -2.49 120.40 111.32 2eef s VAL 54 Ca 0.32 -0.67 -0.29 0.00 -1.81 0.00 0.00 61.98 59.53 2eef s VAL 54 Cb -0.11 -0.67 -0.09 0.00 0.56 0.00 0.00 36.38 36.07 2eef s VAL 54 CO 0.25 -0.37 0.91 -1.10 -0.31 0.00 0.00 175.10 174.48 2eef s GLN 55 N -1.78 4.79 -0.41 4.82 -0.21 -1.22 -4.05 119.66 121.60 2eef s GLN 55 Ca -0.11 1.42 -0.06 0.00 0.02 0.00 0.00 55.36 56.63 2eef s GLN 55 Cb -0.04 -3.24 -0.20 0.00 1.00 0.00 0.00 33.01 30.53 2eef s GLN 55 CO 0.01 0.51 3.17 0.27 -2.12 0.00 0.00 175.29 177.12 2eef n ASN 56 N 1.43 5.61 0.14 5.90 0.23 -1.26 -4.51 115.26 122.80 2eef n ASN 56 Ca -0.02 -2.42 -0.13 0.00 -0.53 0.00 0.00 54.58 51.48 2eef n ASN 56 Cb 0.48 -1.33 -0.08 0.00 -2.08 0.00 0.00 39.78 36.77 2eef n ASN 56 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 2eef h LEU 57 N 5.71 -0.33 -9.73 -4.53 3.38 -1.97 -3.47 115.31 104.37 2eef h LEU 57 Ca 0.34 -0.19 -0.62 0.00 0.09 0.00 0.00 57.88 57.50 2eef h LEU 57 Cb 1.06 0.08 -0.13 0.00 0.09 0.00 0.00 40.66 41.76 2eef h LEU 57 CO 0.66 0.06 -0.52 0.00 0.09 0.00 0.00 178.44 178.73 2eef s ALA 58 N -4.70 3.50 -0.07 1.53 0.00 -1.26 -5.03 121.76 115.73 2eef s ALA 58 Ca -0.14 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 50.88 2eef s ALA 58 Cb 0.02 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.49 2eef s ALA 58 CO 0.54 -0.17 0.21 0.74 0.00 0.00 0.00 175.76 177.08 2eef h PHE 59 N 1.58 -0.16 -2.93 0.00 0.04 -1.98 -3.45 116.94 110.05 2eef h PHE 59 Ca -0.40 -0.00 -0.53 0.00 2.80 0.00 0.00 57.97 59.84 2eef h PHE 59 Cb 1.29 0.05 0.03 0.00 2.20 0.00 0.00 35.95 39.53 2eef h PHE 59 CO 1.46 -0.10 0.79 -1.21 -0.60 0.00 0.00 178.31 178.65 2eef s GLU 60 N -2.09 4.27 0.00 1.51 2.02 -1.26 -5.02 118.70 118.14 2eef s GLU 60 Ca -0.03 2.20 0.02 0.00 0.02 0.00 0.00 54.97 57.18 2eef s GLU 60 Cb 0.00 -3.21 -0.01 0.00 0.10 0.00 0.00 34.13 31.02 2eef s GLU 60 CO 0.08 -0.51 -0.06 0.15 0.02 0.00 0.00 175.26 174.93 2eef s LYS 61 N 1.11 0.50 -0.19 1.61 1.02 -1.26 -4.71 119.74 117.82 2eef s LYS 61 Ca 0.67 -0.32 -0.01 0.00 0.02 0.00 0.00 55.97 56.33 2eef s LYS 61 Cb -0.40 -0.45 0.05 0.00 -0.52 0.00 0.00 37.83 36.51 2eef s LYS 61 CO 0.31 0.12 -0.03 0.99 -0.92 0.00 0.00 175.35 175.81 2eef s THR 62 N -0.37 1.10 -0.19 2.17 2.01 -0.96 -5.01 115.64 114.39 2eef s THR 62 Ca 0.00 -0.77 -0.00 0.00 0.31 0.00 0.00 61.69 61.23 2eef s THR 62 Cb -0.04 -1.36 0.01 0.00 0.01 0.00 0.00 72.50 71.12 2eef s THR 62 CO -0.00 -0.00 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.08 2eef s VAL 63 N 1.62 2.40 -0.02 3.82 1.01 -1.26 -1.06 120.40 126.91 2eef s VAL 63 Ca -0.01 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.13 2eef s VAL 63 Cb -0.17 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.21 2eef s VAL 63 CO -0.07 0.50 0.03 -0.54 0.00 0.00 0.00 175.10 175.02 2eef s LYS 64 N 1.34 -0.01 -0.05 2.72 1.02 -0.95 -2.02 119.74 121.79 2eef s LYS 64 Ca 0.05 0.18 -0.21 0.00 0.02 0.00 0.00 55.97 56.01 2eef s LYS 64 Cb -0.13 -0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 36.85 2eef s LYS 64 CO -0.10 -0.17 0.61 0.42 -0.92 0.00 0.00 175.35 175.18 2eef s ILE 65 N 1.11 5.01 -0.36 2.17 -1.09 -0.77 -2.18 121.20 125.09 2eef s ILE 65 Ca -0.09 1.26 -0.08 0.00 -2.23 0.00 0.00 60.65 59.51 2eef s ILE 65 Cb -0.13 -3.95 0.04 0.00 -1.58 0.00 0.00 42.46 36.84 2eef s ILE 65 CO -0.03 0.34 0.16 -0.60 -1.23 0.00 0.00 174.94 173.58 2eef s ARG 66 N 0.33 2.69 0.14 2.79 3.52 -0.11 -2.23 118.95 126.07 2eef s ARG 66 Ca 0.32 -1.18 0.11 0.00 -0.13 0.00 0.00 55.73 54.86 2eef s ARG 66 Cb -0.17 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 2eef s ARG 66 CO 0.16 -0.71 -0.26 1.41 -0.81 0.00 0.00 175.30 175.09 2eef s MET 67 N 1.46 1.40 0.04 5.12 1.75 -1.25 -0.33 119.30 127.49 2eef s MET 67 Ca 0.00 -1.36 -0.05 0.00 -1.25 0.00 0.00 55.69 53.03 2eef s MET 67 Cb -0.20 -1.86 -0.01 0.00 2.84 0.00 0.00 34.83 35.60 2eef s MET 67 CO 0.04 0.44 0.10 -0.08 -0.65 0.00 0.00 175.02 174.86 2eef s THR 68 N -1.14 0.14 -0.00 10.11 -1.32 -0.85 -2.54 115.64 120.03 2eef s THR 68 Ca 0.14 -1.12 0.01 0.00 -1.21 0.00 0.00 61.69 59.51 2eef s THR 68 Cb -0.10 -0.93 0.01 0.00 -1.51 0.00 0.00 72.50 69.97 2eef s THR 68 CO 0.06 -0.62 0.85 0.49 -2.21 0.00 0.00 174.62 173.20 2eef n PHE 69 N 0.71 0.00 -3.39 9.09 3.72 -1.26 -3.21 117.46 123.13 2eef n PHE 69 Ca -0.19 -0.36 -0.26 0.00 -0.05 0.00 0.00 57.45 56.60 2eef n PHE 69 Cb 0.59 -0.04 -0.08 0.00 -0.94 0.00 0.00 39.48 39.01 2eef n PHE 69 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2eef n ASP 70 N -0.37 1.74 -3.65 4.37 8.00 -1.25 -4.55 116.55 120.84 2eef n ASP 70 Ca 0.00 -2.99 -0.22 0.00 0.71 0.00 0.00 54.79 52.30 2eef n ASP 70 Cb 0.34 -0.65 -0.06 0.00 -0.02 0.00 0.00 41.12 40.72 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 1.46 -0.51 -3.39 -3.53 -1.04 -1.22 0.16 114.28 106.21 2eef n THR 71 Ca 0.25 -0.25 -0.17 0.00 -2.04 0.00 0.00 64.05 61.84 2eef n THR 71 Cb 0.46 -0.58 0.09 0.00 -1.82 0.00 0.00 70.33 68.47 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 -3.24 -2.19 -0.00 -1.42 7.02 -1.26 -4.93 117.44 111.41 2eef n TRP 72 Ca -0.15 0.92 -0.00 0.00 -1.02 0.00 0.00 57.50 57.24 2eef n TRP 72 Cb 0.42 -4.93 -0.00 0.00 -2.42 0.00 0.00 31.31 24.37 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 -3.98 0.63 -3.74 -0.99 5.02 0.42 -4.94 118.16 110.59 2eef n LYS 73 Ca -0.26 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.74 2eef n LYS 73 Cb 0.66 -1.02 -0.13 0.00 -0.02 0.00 0.00 35.03 34.53 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 -3.92 3.71 0.30 4.39 0.15 -1.26 -5.03 113.70 112.04 2eef s SER 74 Ca -0.01 -2.69 0.07 0.00 0.70 0.00 0.00 55.95 54.02 2eef s SER 74 Cb 0.00 -1.10 -0.03 0.00 -1.71 0.00 0.00 66.02 63.19 2eef s SER 74 CO 0.02 -0.26 0.28 -0.72 1.20 0.00 0.00 173.24 173.76 2eef s TYR 75 N 0.26 3.05 -0.03 3.44 -0.85 -1.26 -4.03 117.35 117.92 2eef s TYR 75 Ca 0.18 -0.20 0.01 0.00 -0.52 0.00 0.00 57.07 56.54 2eef s TYR 75 Cb -0.24 -1.66 0.02 0.00 0.38 0.00 0.00 41.96 40.46 2eef s TYR 75 CO -0.00 0.30 -0.02 0.99 -1.52 0.00 0.00 175.55 175.30 2eef s THR 76 N -2.20 0.29 -0.53 -3.49 2.01 -1.05 -5.00 115.64 105.66 2eef s THR 76 Ca 0.38 -0.02 -0.28 0.00 0.31 0.00 0.00 61.69 62.08 2eef s THR 76 Cb -0.07 -0.34 0.03 0.00 0.01 0.00 0.00 72.50 72.12 2eef s THR 76 CO 0.27 0.15 1.22 1.51 -0.69 0.00 0.00 174.62 177.08 2eef s ASP 77 N 0.76 6.45 -0.21 3.53 -4.77 -1.26 -3.87 116.67 117.29 2eef s ASP 77 Ca -0.08 0.29 -0.12 0.00 -3.30 0.00 0.00 52.55 49.34 2eef s ASP 77 Cb -0.12 -2.55 -0.05 0.00 -1.09 0.00 0.00 42.92 39.12 2eef s ASP 77 CO -0.01 -1.44 0.20 -0.36 0.70 0.00 0.00 175.17 174.26 2eef s PHE 78 N 5.00 3.36 0.22 2.11 0.08 -0.95 -4.97 117.98 122.84 2eef s PHE 78 Ca 0.47 0.35 -0.30 0.00 0.12 0.00 0.00 56.93 57.57 2eef s PHE 78 Cb -0.08 -2.29 -0.09 0.00 -0.57 0.00 0.00 43.02 39.99 2eef s PHE 78 CO 0.28 0.13 1.29 -1.25 -0.10 0.00 0.00 175.22 175.57 2eef s PRO 79 N 0.85 4.41 0.29 0.24 0.04 -1.26 -1.85 135.00 137.71 2eef s PRO 79 Ca 0.10 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.15 2eef s PRO 79 Cb -0.13 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 2eef s PRO 79 CO 0.03 -0.20 0.54 0.00 0.04 0.00 0.00 177.00 177.42 2eef s GLN 81 N -3.60 2.48 -0.09 0.00 -1.52 0.78 -4.91 119.66 112.80 2eef s GLN 81 Ca 0.43 -1.59 0.00 0.00 -1.95 0.00 0.00 55.36 52.26 2eef s GLN 81 Cb -0.11 -2.51 -0.03 0.00 -0.22 0.00 0.00 33.01 30.14 2eef s GLN 81 CO 0.30 -0.52 -0.09 -0.47 -0.25 0.00 0.00 175.29 174.27 2eef s TYR 82 N -2.56 2.89 -0.10 0.91 6.14 -1.26 -0.68 117.35 122.68 2eef s TYR 82 Ca 0.52 -0.17 -0.02 0.00 0.64 0.00 0.00 57.07 58.04 2eef s TYR 82 Cb -0.06 -1.76 -0.03 0.00 0.42 0.00 0.00 41.96 40.53 2eef s TYR 82 CO 0.32 0.16 -0.02 0.08 0.64 0.00 0.00 175.55 176.73 2eef s VAL 83 N -0.42 4.14 -0.47 3.14 1.01 -0.42 -4.87 120.40 122.52 2eef s VAL 83 Ca 0.06 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.77 2eef s VAL 83 Cb -0.12 -2.76 0.14 0.00 0.00 0.00 0.00 36.38 33.64 2eef s VAL 83 CO 0.02 0.57 0.25 -0.54 0.00 0.00 0.00 175.10 175.41 2eef s LYS 84 N -0.51 1.53 0.10 2.72 1.02 -1.26 -4.58 119.74 118.75 2eef s LYS 84 Ca 0.09 -2.23 0.02 0.00 0.02 0.00 0.00 55.97 53.86 2eef s LYS 84 Cb -0.12 -2.65 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 2eef s LYS 84 CO 0.02 -1.15 -0.07 -0.51 -0.92 0.00 0.00 175.35 172.72 2eef s ASP 85 N 0.10 1.19 0.22 2.83 1.11 -1.26 -5.05 116.67 115.81 2eef s ASP 85 Ca 0.18 -1.00 -0.08 0.00 0.18 0.00 0.00 52.55 51.84 2eef s ASP 85 Cb -0.24 0.08 0.31 0.00 1.07 0.00 0.00 42.92 44.15 2eef s ASP 85 CO -0.01 -0.45 1.77 0.00 1.18 0.00 0.00 175.17 177.67 2eef h THR 86 N 2.99 0.83 -0.06 -1.27 1.03 -2.01 -2.29 112.91 112.13 2eef h THR 86 Ca -0.35 -0.19 0.02 0.00 -0.01 0.00 0.00 66.41 65.88 2eef h THR 86 Cb 1.17 0.24 -0.02 0.00 -1.07 0.00 0.00 68.15 68.46 2eef h THR 86 CO 0.64 0.10 -0.05 0.22 -0.01 0.00 0.00 175.52 176.42 2eef h TYR 87 N 0.55 -0.13 -0.88 0.00 5.03 -2.02 -3.44 116.97 116.08 2eef h TYR 87 Ca 0.33 0.01 -0.63 0.00 2.58 0.00 0.00 58.73 61.02 2eef h TYR 87 Cb 0.36 0.07 0.07 0.00 1.55 0.00 0.00 36.73 38.79 2eef h TYR 87 CO -0.12 -0.09 -0.24 0.00 -1.32 0.00 0.00 178.16 176.39 2eef n ALA 88 N -2.29 -2.92 -1.72 1.82 0.00 -0.86 -4.80 120.51 109.74 2eef n ALA 88 Ca -0.05 0.45 -0.40 0.00 0.00 0.00 0.00 53.44 53.44 2eef n ALA 88 Cb 0.11 -1.47 0.03 0.00 0.00 0.00 0.00 19.45 18.12 2eef n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2eef n GLY 89 N 1.56 0.64 0.07 0.00 0.00 -1.25 -4.90 105.19 101.31 2eef n GLY 89 Ca 0.17 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 46.16 2eef n GLY 89 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2eef h SER 90 N 1.76 -0.04 0.08 1.61 0.87 -1.91 -3.39 113.55 112.52 2eef h SER 90 Ca -0.49 -0.51 -0.00 0.00 -1.23 0.00 0.00 61.79 59.55 2eef h SER 90 Cb 1.30 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 2eef h SER 90 CO 0.58 0.50 -0.04 0.44 -0.53 0.00 0.00 176.83 177.79 2eef h ASP 91 N -0.61 -0.09 -3.08 6.23 3.32 -2.01 -3.44 116.42 116.74 2eef h ASP 91 Ca -0.01 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.50 2eef h ASP 91 Cb 0.55 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 2eef h ASP 91 CO 0.01 0.04 0.68 0.00 -1.72 0.00 0.00 179.24 178.25 2eef s ARG 92 N -1.89 4.36 0.83 3.56 1.70 -1.26 -4.70 118.95 121.55 2eef s ARG 92 Ca -0.02 1.76 -0.12 0.00 -0.47 0.00 0.00 55.73 56.89 2eef s ARG 92 Cb 0.00 -3.49 0.09 0.00 -0.57 0.00 0.00 34.95 30.98 2eef s ARG 92 CO 0.05 -0.41 1.11 -0.51 -1.08 0.00 0.00 175.30 174.45 2eef s ASP 93 N 1.42 4.18 -0.20 -2.89 1.01 -1.26 -3.91 116.67 115.03 2eef s ASP 93 Ca 0.58 1.21 -0.01 0.00 0.71 0.00 0.00 52.55 55.04 2eef s ASP 93 Cb -0.27 -1.89 0.05 0.00 1.01 0.00 0.00 42.92 41.82 2eef s ASP 93 CO 0.25 -2.15 -0.03 -0.89 0.21 0.00 0.00 175.17 172.56 2eef s THR 94 N -3.19 1.08 -0.14 -1.27 2.01 -1.26 -3.91 115.64 108.95 2eef s THR 94 Ca 0.62 -0.81 -0.06 0.00 0.31 0.00 0.00 61.69 61.74 2eef s THR 94 Cb -0.15 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 2eef s THR 94 CO 0.54 -0.05 0.06 -0.36 -0.69 0.00 0.00 174.62 174.12 2eef s PHE 95 N 1.62 3.31 0.36 4.92 0.08 -1.02 -1.30 117.98 125.95 2eef s PHE 95 Ca -0.02 0.21 0.07 0.00 0.12 0.00 0.00 56.93 57.31 2eef s PHE 95 Cb -0.17 -1.97 -0.02 0.00 -0.57 0.00 0.00 43.02 40.28 2eef s PHE 95 CO -0.07 0.37 0.35 0.45 -0.10 0.00 0.00 175.22 176.22 2eef s SER 96 N -0.26 5.33 -0.10 1.36 0.15 0.14 -0.05 113.70 120.28 2eef s SER 96 Ca 0.08 -0.52 -0.10 0.00 0.70 0.00 0.00 55.95 56.11 2eef s SER 96 Cb -0.12 -0.89 0.03 0.00 -1.71 0.00 0.00 66.02 63.33 2eef s SER 96 CO 0.01 -0.46 0.29 0.72 1.20 0.00 0.00 173.24 175.00 2eef s PHE 97 N -2.33 -0.29 -0.32 3.44 -0.12 -0.11 -0.16 117.98 118.09 2eef s PHE 97 Ca 0.44 0.70 -0.01 0.00 -0.05 0.00 0.00 56.93 58.02 2eef s PHE 97 Cb -0.06 0.10 0.10 0.00 -0.63 0.00 0.00 43.02 42.54 2eef s PHE 97 CO 0.28 -0.18 0.10 0.16 -0.05 0.00 0.00 175.22 175.53 2eef s ASP 98 N -0.02 4.02 -0.12 1.98 -4.77 -1.26 -2.33 116.67 114.18 2eef s ASP 98 Ca -0.02 -1.68 -0.07 0.00 -3.30 0.00 0.00 52.55 47.48 2eef s ASP 98 Cb -0.02 -0.88 -0.04 0.00 -1.09 0.00 0.00 42.92 40.89 2eef s ASP 98 CO 0.01 -0.41 0.12 -0.63 0.70 0.00 0.00 175.17 174.96 2eef s ILE 99 N 1.56 5.34 -0.36 2.11 1.01 -1.17 -4.95 121.20 124.73 2eef s ILE 99 Ca 0.10 0.15 -0.18 0.00 0.00 0.00 0.00 60.65 60.72 2eef s ILE 99 Cb -0.18 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 38.97 2eef s ILE 99 CO -0.24 0.60 0.48 -0.94 0.00 0.00 0.00 174.94 174.85 2eef s SER 100 N -0.90 6.27 0.79 3.58 1.04 -1.26 -0.60 113.70 122.62 2eef s SER 100 Ca 0.14 -0.18 -0.15 0.00 0.48 0.00 0.00 55.95 56.24 2eef s SER 100 Cb -0.12 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.75 2eef s SER 100 CO 0.03 -0.49 0.65 0.18 0.98 0.00 0.00 173.24 174.59 2eef n LEU 101 N 5.69 1.42 -4.77 2.42 4.77 -0.48 -4.91 117.00 121.14 2eef n LEU 101 Ca -0.06 0.54 -0.32 0.00 -0.03 0.00 0.00 56.01 56.14 2eef n LEU 101 Cb 0.49 -1.28 0.07 0.00 -2.33 0.00 0.00 43.42 40.37 2eef n LEU 101 CO 0.45 -2.90 0.72 -2.16 -1.33 0.00 0.00 177.39 172.17 2eef s PRO 102 N -3.22 2.51 0.17 3.23 0.04 -1.26 -4.81 135.00 131.65 2eef s PRO 102 Ca 0.66 1.27 -0.23 0.00 0.04 0.00 0.00 61.00 62.73 2eef s PRO 102 Cb -0.31 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.35 2eef s PRO 102 CO 0.58 -1.46 1.39 -0.85 0.04 0.00 0.00 177.00 176.70 2eef n GLU 103 N -3.01 -0.33 -4.16 4.56 0.28 -1.26 -4.68 120.64 112.04 2eef n GLU 103 Ca 0.10 1.37 -0.11 0.00 -0.16 0.00 0.00 57.16 58.36 2eef n GLU 103 Cb 0.53 -2.02 -0.10 0.00 1.43 0.00 0.00 31.44 31.28 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 -5.60 1.14 -0.21 3.44 -0.14 -1.26 -5.00 119.74 112.11 2eef s LYS 104 Ca -0.11 -1.53 -0.05 0.00 -1.36 0.00 0.00 55.97 52.92 2eef s LYS 104 Cb 0.13 0.28 0.10 0.00 -1.68 0.00 0.00 37.83 36.66 2eef s LYS 104 CO 0.59 -0.37 0.37 0.42 -0.76 0.00 0.00 175.35 175.60 2eef s ILE 105 N -4.11 -0.58 0.54 2.17 1.01 -1.26 -5.16 121.20 113.81 2eef s ILE 105 Ca 0.32 0.08 0.03 0.00 0.00 0.00 0.00 60.65 61.09 2eef s ILE 105 Cb 0.06 -0.69 0.02 0.00 0.01 0.00 0.00 42.46 41.87 2eef s ILE 105 CO 0.08 -0.01 0.23 -1.10 0.00 0.00 0.00 174.94 174.14 2eef s GLN 106 N 2.55 2.23 -0.23 2.79 -1.52 -1.26 -5.01 119.66 119.20 2eef s GLN 106 Ca 0.05 -2.23 -0.02 0.00 -1.95 0.00 0.00 55.36 51.21 2eef s GLN 106 Cb -0.13 -1.83 0.06 0.00 -0.22 0.00 0.00 33.01 30.88 2eef s GLN 106 CO -0.13 -0.55 2.45 -1.13 -0.25 0.00 0.00 175.29 175.69 2eef n SER 107 N -1.58 6.04 0.00 5.90 3.41 -1.26 -3.64 113.62 122.50 2eef n SER 107 Ca -0.11 -2.87 0.00 0.00 -0.26 0.00 0.00 58.87 55.63 2eef n SER 107 Cb 0.66 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 2eef n SER 107 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2eef n TYR 108 N 1.06 0.00 -3.83 7.33 4.11 -1.26 -5.05 117.16 119.51 2eef n TYR 108 Ca 0.30 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 58.08 2eef n TYR 108 Cb 0.61 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.85 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 -0.60 0.48 0.38 -3.48 0.41 -1.24 -5.07 118.70 109.59 2eef s GLU 109 Ca 0.00 -0.22 -0.07 0.00 -0.41 0.00 0.00 54.97 54.27 2eef s GLU 109 Cb 0.00 0.21 -0.05 0.00 -1.78 0.00 0.00 34.13 32.50 2eef s GLU 109 CO 0.00 -0.12 0.70 0.50 -0.49 0.00 0.00 175.26 175.85 2eef s ARG 110 N -1.09 3.68 -0.14 1.61 6.06 -1.26 -4.86 118.95 122.95 2eef s ARG 110 Ca -0.12 0.25 -0.04 0.00 -2.50 0.00 0.00 55.73 53.32 2eef s ARG 110 Cb -0.06 -2.48 0.07 0.00 0.06 0.00 0.00 34.95 32.54 2eef s ARG 110 CO 0.02 0.02 0.20 1.41 -2.50 0.00 0.00 175.30 174.44 2eef s MET 111 N -3.94 0.11 0.09 5.12 -2.45 -1.26 -3.45 119.30 113.52 2eef s MET 111 Ca 0.48 0.41 -0.06 0.00 -1.25 0.00 0.00 55.69 55.27 2eef s MET 111 Cb -0.10 -0.70 -0.01 0.00 1.25 0.00 0.00 34.83 35.26 2eef s MET 111 CO 0.33 -0.46 0.14 -1.21 1.05 0.00 0.00 175.02 174.87 2eef s GLU 112 N 2.32 0.82 0.06 4.11 2.02 -1.20 -3.45 118.70 123.38 2eef s GLU 112 Ca 0.04 -1.08 -0.03 0.00 0.02 0.00 0.00 54.97 53.92 2eef s GLU 112 Cb -0.14 0.31 -0.03 0.00 0.10 0.00 0.00 34.13 34.37 2eef s GLU 112 CO -0.09 -0.24 0.04 -0.59 0.02 0.00 0.00 175.26 174.40 2eef s PHE 113 N -3.90 0.39 0.09 1.61 -0.12 -1.26 -2.01 117.98 112.78 2eef s PHE 113 Ca 0.08 -0.87 -0.03 0.00 -0.05 0.00 0.00 56.93 56.06 2eef s PHE 113 Cb 0.06 -0.27 -0.03 0.00 -0.63 0.00 0.00 43.02 42.14 2eef s PHE 113 CO -0.09 -0.41 0.06 0.00 -0.05 0.00 0.00 175.22 174.73 2eef s ALA 114 N -3.68 0.49 -0.12 1.99 0.00 0.55 -3.92 121.76 117.06 2eef s ALA 114 Ca 0.04 -1.20 -0.07 0.00 0.00 0.00 0.00 51.96 50.74 2eef s ALA 114 Cb 0.06 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 2eef s ALA 114 CO -0.09 -0.45 0.14 0.08 0.00 0.00 0.00 175.76 175.43 2eef s VAL 115 N -3.96 5.49 -0.29 0.00 1.01 -0.50 -0.94 120.40 121.21 2eef s VAL 115 Ca 0.14 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2eef s VAL 115 Cb 0.07 -3.40 0.09 0.00 0.00 0.00 0.00 36.38 33.14 2eef s VAL 115 CO -0.05 0.61 0.05 -0.47 0.00 0.00 0.00 175.10 175.24 2eef s TYR 116 N -0.94 2.28 -0.23 5.22 5.04 -0.93 -1.49 117.35 126.31 2eef s TYR 116 Ca 0.15 -1.97 -0.06 0.00 -2.44 0.00 0.00 57.07 52.75 2eef s TYR 116 Cb -0.12 -1.92 -0.02 0.00 0.35 0.00 0.00 41.96 40.25 2eef s TYR 116 CO 0.04 -0.85 0.03 -0.47 -1.34 0.00 0.00 175.55 172.95 2eef s TYR 117 N 1.42 3.05 -0.16 4.97 5.04 -0.42 -2.25 117.35 129.00 2eef s TYR 117 Ca 0.06 -0.53 -0.04 0.00 -2.44 0.00 0.00 57.07 54.13 2eef s TYR 117 Cb -0.18 -2.16 -0.03 0.00 0.35 0.00 0.00 41.96 39.94 2eef s TYR 117 CO -0.16 -0.35 -0.04 -2.00 -1.34 0.00 0.00 175.55 171.67 2eef s GLU 118 N 1.37 3.64 -0.09 4.97 2.12 -0.22 -0.65 118.70 129.84 2eef s GLU 118 Ca 0.05 -0.53 -0.31 0.00 0.36 0.00 0.00 54.97 54.54 2eef s GLU 118 Cb -0.15 -2.93 0.12 0.00 0.26 0.00 0.00 34.13 31.43 2eef s GLU 118 CO 0.02 0.19 1.00 0.00 -0.54 0.00 0.00 175.26 175.93 2eef n ASN 120 N 0.00 -2.25 -3.54 0.00 3.02 -1.26 0.12 115.26 111.34 2eef n ASN 120 Ca -0.07 -1.04 -0.26 0.00 -0.03 0.00 0.00 54.58 53.19 2eef n ASN 120 Cb 0.60 -2.72 0.04 0.00 -0.61 0.00 0.00 39.78 37.09 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 -1.61 -0.52 3.23 7.41 0.00 -1.26 -4.98 105.19 107.47 2eef n GLY 121 Ca -0.04 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 -6.24 1.13 -0.36 1.61 -1.52 0.12 -5.13 119.66 109.27 2eef s GLN 122 Ca 0.52 -1.56 0.00 0.00 -1.95 0.00 0.00 55.36 52.37 2eef s GLN 122 Cb -0.25 -0.11 0.12 0.00 -0.22 0.00 0.00 33.01 32.54 2eef s GLN 122 CO 0.65 -0.21 0.16 0.99 -0.25 0.00 0.00 175.29 176.63 2eef s THR 123 N -3.80 0.85 -0.10 -0.19 2.01 -1.26 -2.14 115.64 111.00 2eef s THR 123 Ca 0.28 -1.77 -0.26 0.00 0.31 0.00 0.00 61.69 60.25 2eef s THR 123 Cb 0.07 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.93 2eef s THR 123 CO 0.06 -0.80 0.83 -0.31 -0.69 0.00 0.00 174.62 173.71 2eef s TYR 124 N 1.16 3.52 -0.28 4.92 2.02 0.18 -4.94 117.35 123.93 2eef s TYR 124 Ca 0.14 1.36 0.00 0.00 -0.37 0.00 0.00 57.07 58.20 2eef s TYR 124 Cb -0.20 -2.98 0.05 0.00 -0.40 0.00 0.00 41.96 38.42 2eef s TYR 124 CO -0.14 -0.10 -0.05 -1.58 -1.57 0.00 0.00 175.55 172.11 2eef s TRP 125 N 1.52 3.23 -0.48 2.71 0.52 -1.26 -1.30 118.94 123.89 2eef s TRP 125 Ca 0.41 -2.00 -0.07 0.00 0.02 0.00 0.00 56.10 54.46 2eef s TRP 125 Cb -0.18 -2.03 0.12 0.00 -1.15 0.00 0.00 33.47 30.23 2eef s TRP 125 CO 0.17 -0.82 0.32 0.34 0.02 0.00 0.00 176.95 176.98 2eef s ASP 126 N 1.20 5.56 -0.71 2.95 -1.08 -0.55 -4.97 116.67 119.07 2eef s ASP 126 Ca -0.06 -2.05 -0.16 0.00 -0.52 0.00 0.00 52.55 49.75 2eef s ASP 126 Cb -0.19 -1.95 0.16 0.00 -1.46 0.00 0.00 42.92 39.48 2eef s ASP 126 CO -0.03 -0.62 0.73 -0.94 0.52 0.00 0.00 175.17 174.83 2eef s SER 127 N 2.23 6.47 -1.52 -0.34 1.04 -1.26 -1.40 113.70 118.92 2eef s SER 127 Ca 0.08 -2.11 -0.13 0.00 0.48 0.00 0.00 55.95 54.27 2eef s SER 127 Cb -0.24 -2.25 0.09 0.00 0.10 0.00 0.00 66.02 63.72 2eef s SER 127 CO -0.02 -0.83 0.83 -3.20 0.98 0.00 0.00 173.24 171.00 2eef n ASN 128 N 5.13 -4.41 -3.10 7.02 5.15 -1.26 -1.65 115.26 122.14 2eef n ASN 128 Ca 0.03 -0.71 -0.22 0.00 -0.60 0.00 0.00 54.58 53.08 2eef n ASN 128 Cb 0.44 -3.56 -0.04 0.00 -0.53 0.00 0.00 39.78 36.09 2eef n ASN 128 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 2eef n ARG 129 N -4.40 -1.13 0.00 1.20 1.85 -1.26 -3.86 116.66 109.06 2eef n ARG 129 Ca 0.03 0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 2eef n ARG 129 Cb 0.53 -2.99 0.00 0.00 -1.05 0.00 0.00 32.46 28.94 2eef n ARG 129 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2eef n GLY 130 N -0.74 -2.41 1.07 2.89 0.00 -0.66 -5.07 105.19 100.27 2eef n GLY 130 Ca 0.06 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.89 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 -0.43 0.00 -3.50 1.61 5.02 -1.11 -4.93 118.16 114.82 2eef n LYS 131 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 2eef n LYS 131 Cb 0.00 -0.07 -0.04 0.00 -0.02 0.00 0.00 35.03 34.90 2eef n LYS 131 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2eef s ASN 132 N -5.08 -0.50 -1.29 4.39 -0.87 -1.24 -4.60 114.94 105.74 2eef s ASN 132 Ca 0.00 0.28 -0.15 0.00 -1.57 0.00 0.00 52.86 51.42 2eef s ASN 132 Cb 0.00 0.47 0.11 0.00 -0.02 0.00 0.00 41.25 41.81 2eef s ASN 132 CO 0.00 -0.66 1.74 -1.22 -2.57 0.00 0.00 177.10 174.39 2eef n TYR 133 N 0.23 4.32 -1.71 2.20 4.01 -1.25 -4.74 117.16 120.21 2eef n TYR 133 Ca -0.14 -3.02 -0.43 0.00 -0.16 0.00 0.00 57.90 54.15 2eef n TYR 133 Cb 0.61 -2.37 -0.03 0.00 -0.31 0.00 0.00 39.34 37.23 2eef n TYR 133 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2eef s ARG 134 N 2.60 3.45 -0.31 -0.72 3.52 -1.26 -4.27 118.95 121.95 2eef s ARG 134 Ca 0.47 2.07 -0.10 0.00 -0.13 0.00 0.00 55.73 58.04 2eef s ARG 134 Cb 0.04 -4.27 -0.00 0.00 -1.56 0.00 0.00 34.95 29.16 2eef s ARG 134 CO 0.02 -1.73 0.15 0.42 -0.81 0.00 0.00 175.30 173.35 2eef s ILE 135 N 6.95 4.58 0.40 4.11 1.01 -1.22 -2.49 121.20 134.54 2eef s ILE 135 Ca 0.93 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 61.20 2eef s ILE 135 Cb -0.33 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 2eef s ILE 135 CO 0.36 0.05 0.15 0.27 0.00 0.00 0.00 174.94 175.77 2eef s ILE 136 N 1.61 2.35 0.85 2.92 -4.36 -1.11 -4.82 121.20 118.62 2eef s ILE 136 Ca 0.04 -1.74 -0.12 0.00 -0.26 0.00 0.00 60.65 58.57 2eef s ILE 136 Cb -0.17 -2.98 0.10 0.00 1.25 0.00 0.00 42.46 40.66 2eef s ILE 136 CO 0.06 -0.02 1.18 -0.60 0.24 0.00 0.00 174.94 175.79 2eef s ARG 137 N -3.87 1.66 0.15 0.37 3.52 -1.26 -0.02 118.95 119.49 2eef s ARG 137 Ca 0.40 0.12 0.16 0.00 -0.13 0.00 0.00 55.73 56.29 2eef s ARG 137 Cb 0.04 -1.91 -0.05 0.00 -1.56 0.00 0.00 34.95 31.46 2eef s ARG 137 CO 0.22 -1.81 1.07 0.00 -0.81 0.00 0.00 175.30 173.98 2eef h ALA 138 N -1.21 0.65 0.00 6.12 0.00 -1.73 -3.24 119.26 119.85 2eef h ALA 138 Ca -0.47 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 53.76 2eef h ALA 138 Cb 1.33 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 2eef h ALA 138 CO 0.63 0.76 -0.57 1.05 0.00 0.00 0.00 179.25 181.12 2eef h GLU 139 N 0.00 0.00 0.11 0.00 4.11 -1.94 -3.33 114.58 113.52 2eef h GLU 139 Ca -0.09 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.09 2eef h GLU 139 Cb 1.48 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.76 2eef h GLU 139 CO 0.05 0.07 -1.03 -0.07 0.07 0.00 0.00 179.01 178.10 2eef h LEU 140 N 0.00 0.72 -9.25 3.06 3.38 -1.96 -3.45 115.31 107.81 2eef h LEU 140 Ca -0.01 -0.84 -0.68 0.00 0.09 0.00 0.00 57.88 56.43 2eef h LEU 140 Cb 1.09 -0.23 0.03 0.00 0.09 0.00 0.00 40.66 41.64 2eef h LEU 140 CO 0.01 1.49 0.76 1.17 0.09 0.00 0.00 178.44 181.96 2eef n LYS 141 N -3.95 1.42 -3.28 1.13 3.00 -1.22 -4.93 118.16 110.33 2eef n LYS 141 Ca -0.13 0.52 -0.39 0.00 -0.00 0.00 0.00 58.31 58.31 2eef n LYS 141 Cb 0.89 -2.22 -0.06 0.00 0.00 0.00 0.00 35.03 33.64 2eef n LYS 141 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2eef s SER 142 N 2.22 6.97 -0.24 3.14 1.04 -1.26 -5.03 113.70 120.54 2eef s SER 142 Ca 0.90 1.16 -0.14 0.00 0.48 0.00 0.00 55.95 58.35 2eef s SER 142 Cb -0.93 -2.34 -0.04 0.00 0.10 0.00 0.00 66.02 62.81 2eef s SER 142 CO 0.54 0.20 0.32 0.28 0.98 0.00 0.00 173.24 175.55 2eef s THR 143 N -0.63 5.24 -0.20 2.02 -1.32 -1.26 -5.06 115.64 114.42 2eef s THR 143 Ca 0.29 0.50 0.01 0.00 -1.21 0.00 0.00 61.69 61.28 2eef s THR 143 Cb -0.18 -3.65 0.04 0.00 -1.51 0.00 0.00 72.50 67.19 2eef s THR 143 CO 0.17 0.24 -0.12 -1.58 -2.21 0.00 0.00 174.62 171.12 2eef s GLN 144 N 1.54 2.25 0.00 7.08 0.74 -1.26 -5.12 119.66 124.88 2eef s GLN 144 Ca 0.14 -0.86 0.00 0.00 0.05 0.00 0.00 55.36 54.69 2eef s GLN 144 Cb -0.15 -2.45 0.00 0.00 1.10 0.00 0.00 33.01 31.51 2eef s GLN 144 CO 0.08 -0.38 0.00 0.41 -0.55 0.00 0.00 175.29 174.85 2eef n GLY 145 N 4.66 1.44 3.72 2.59 0.00 -1.26 -4.66 105.19 111.67 2eef n GLY 145 Ca -0.16 -2.01 -0.27 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.51 -6.56 -5.09 1.61 0.00 -1.26 -4.98 117.12 100.32 2eef n MET 146 Ca 0.00 0.71 -0.30 0.00 -0.00 0.00 0.00 57.70 58.11 2eef n MET 146 Cb 0.00 -5.68 -0.15 0.00 0.00 0.00 0.00 33.22 27.39 2eef n MET 146 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2eef s THR 147 N -3.29 2.02 -0.10 1.12 -1.32 -1.26 -5.13 115.64 107.68 2eef s THR 147 Ca 0.61 -1.20 -0.09 0.00 -1.21 0.00 0.00 61.69 59.80 2eef s THR 147 Cb -0.29 -1.70 -0.04 0.00 -1.51 0.00 0.00 72.50 68.95 2eef s THR 147 CO 0.76 0.47 0.19 -0.75 -2.21 0.00 0.00 174.62 173.08 2eef s LYS 148 N -0.87 3.58 0.55 7.08 2.20 -1.26 -5.08 119.74 125.94 2eef s LYS 148 Ca 0.10 -0.02 -0.19 0.00 -0.36 0.00 0.00 55.97 55.50 2eef s LYS 148 Cb -0.10 -3.21 -0.05 0.00 -1.51 0.00 0.00 37.83 32.96 2eef s LYS 148 CO 0.00 0.73 1.13 -1.25 -0.36 0.00 0.00 175.35 175.60 2eef s PRO 149 N -0.95 3.30 0.08 4.03 0.04 -1.26 -5.04 135.00 135.20 2eef s PRO 149 Ca 0.16 1.59 -0.02 0.00 0.04 0.00 0.00 61.00 62.77 2eef s PRO 149 Cb -0.13 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 2eef s PRO 149 CO 0.06 -0.88 0.27 -1.58 0.04 0.00 0.00 177.00 174.90 2eef s HIS 150 N -1.82 3.51 -0.24 0.56 2.46 -1.26 -5.11 115.29 113.40 2eef s HIS 150 Ca 0.72 0.39 -0.19 0.00 0.47 0.00 0.00 55.06 56.45 2eef s HIS 150 Cb -0.24 -1.87 0.07 0.00 -0.13 0.00 0.00 32.58 30.41 2eef s HIS 150 CO 0.28 0.54 0.62 -1.54 -2.47 0.00 0.00 174.74 172.18 2eef s SER 151 N -2.37 -0.71 0.29 9.88 1.04 -1.26 -5.18 113.70 115.39 2eef s SER 151 Ca 0.36 1.28 0.02 0.00 0.48 0.00 0.00 55.95 58.10 2eef s SER 151 Cb -0.13 1.26 -0.04 0.00 0.10 0.00 0.00 66.02 67.21 2eef s SER 151 CO 0.25 -0.22 0.14 -0.83 0.98 0.00 0.00 173.24 173.56 2eef s GLY 152 N 0.72 1.95 0.88 7.32 0.00 -1.26 -5.16 107.32 111.77 2eef s GLY 152 Ca -0.03 -1.78 -0.11 0.00 0.00 0.00 0.00 44.72 42.80 2eef s GLY 152 CO -0.05 -1.59 1.09 2.56 0.00 0.00 0.00 173.10 175.11 2eef s PRO 153 N -3.90 1.38 -0.31 2.90 0.04 -1.26 -5.01 135.00 128.84 2eef s PRO 153 Ca 0.36 0.87 -0.15 0.00 0.04 0.00 0.00 61.00 62.12 2eef s PRO 153 Cb 0.06 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 2eef s PRO 153 CO 0.16 -2.17 0.37 0.16 0.04 0.00 0.00 177.00 175.56 2eef s ASP 154 N -3.42 6.21 0.17 6.66 -4.77 -1.26 -5.03 116.67 115.24 2eef s ASP 154 Ca 0.63 0.03 -0.33 0.00 -3.30 0.00 0.00 52.55 49.58 2eef s ASP 154 Cb -0.18 -2.21 -0.15 0.00 -1.09 0.00 0.00 42.92 39.29 2eef s ASP 154 CO 0.57 -0.27 1.23 0.00 0.70 0.00 0.00 175.17 177.40 2eef n LEU 155 N 5.38 1.79 -0.03 2.11 -0.00 -1.26 -5.38 117.00 119.61 2eef n LEU 155 Ca -0.09 1.14 0.16 0.00 -0.00 0.00 0.00 56.01 57.22 2eef n LEU 155 Cb 0.50 -1.25 0.93 0.00 -0.00 0.00 0.00 43.42 43.60 2eef n LEU 155 CO 0.39 -1.13 1.10 0.61 -0.00 0.00 0.00 177.39 178.35