#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 0.62 0.25 1.61 0.01 -1.26 -5.17 113.70 109.77 2eef s SER 2 Ca 0.00 -0.78 -0.22 0.00 1.31 0.00 0.00 55.95 56.26 2eef s SER 2 Cb 0.00 0.12 0.04 0.00 0.21 0.00 0.00 66.02 66.39 2eef s SER 2 CO 0.00 -0.42 0.82 -0.94 0.41 0.00 0.00 173.24 173.12 2eef s SER 3 N -2.29 -0.18 0.00 2.44 1.04 -1.26 -5.17 113.70 108.27 2eef s SER 3 Ca -0.02 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.79 2eef s SER 3 Cb -0.01 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.77 2eef s SER 3 CO -0.04 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.55 2eef n GLY 4 N -0.49 3.31 3.88 7.32 0.00 -1.26 -5.15 105.19 112.80 2eef n GLY 4 Ca -0.05 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 2eef n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2eef s SER 5 N 0.00 6.51 -0.13 1.61 1.04 -1.26 -5.01 113.70 116.46 2eef s SER 5 Ca 0.00 0.59 -0.08 0.00 0.48 0.00 0.00 55.95 56.93 2eef s SER 5 Cb 0.00 -2.10 -0.25 0.00 0.10 0.00 0.00 66.02 63.77 2eef s SER 5 CO 0.00 0.26 0.35 -1.54 0.98 0.00 0.00 173.24 173.29 2eef n SER 6 N 1.18 2.10 0.00 7.02 3.41 -1.26 -5.10 113.62 120.98 2eef n SER 6 Ca -0.12 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2eef n SER 6 Cb 0.53 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 2eef n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eef n GLY 7 N 1.94 1.27 3.45 5.00 0.00 -1.26 -4.88 105.19 110.71 2eef n GLY 7 Ca -0.32 -1.50 -0.44 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.14 4.05 -0.77 4.61 0.00 -1.26 -4.90 121.76 122.35 2eef s ALA 8 Ca 0.00 -3.39 0.03 0.00 0.00 0.00 0.00 51.96 48.60 2eef s ALA 8 Cb 0.00 -4.06 0.19 0.00 0.00 0.00 0.00 23.12 19.25 2eef s ALA 8 CO 0.00 -2.72 0.60 -1.21 0.00 0.00 0.00 175.76 172.43 2eef s GLU 9 N 1.32 2.76 -0.01 0.00 0.41 -1.26 -5.05 118.70 116.87 2eef s GLU 9 Ca 0.41 -3.32 -0.04 0.00 -0.41 0.00 0.00 54.97 51.60 2eef s GLU 9 Cb -0.04 -3.62 -0.00 0.00 -1.78 0.00 0.00 34.13 28.70 2eef s GLU 9 CO -0.01 -1.28 0.08 -1.54 -0.49 0.00 0.00 175.26 172.02 2eef s SER 10 N -0.98 0.04 0.88 -0.19 1.04 -1.26 -5.13 113.70 108.10 2eef s SER 10 Ca 0.26 -0.15 -0.12 0.00 0.48 0.00 0.00 55.95 56.41 2eef s SER 10 Cb -0.06 0.18 0.12 0.00 0.10 0.00 0.00 66.02 66.36 2eef s SER 10 CO -0.15 -0.24 1.15 -1.83 0.98 0.00 0.00 173.24 173.15 2eef s GLU 11 N -0.93 1.40 0.94 4.02 -1.05 -1.26 -5.03 118.70 116.79 2eef s GLU 11 Ca -0.10 0.21 -0.12 0.00 -0.15 0.00 0.00 54.97 54.81 2eef s GLU 11 Cb -0.06 -1.88 0.16 0.00 -0.44 0.00 0.00 34.13 31.91 2eef s GLU 11 CO 0.00 -2.00 1.11 -1.12 0.95 0.00 0.00 175.26 174.20 2eef s SER 12 N -4.23 3.16 0.40 0.83 0.01 -1.26 -4.95 113.70 107.66 2eef s SER 12 Ca 0.63 1.11 0.06 0.00 1.31 0.00 0.00 55.95 59.07 2eef s SER 12 Cb -0.13 -1.74 -0.08 0.00 0.21 0.00 0.00 66.02 64.28 2eef s SER 12 CO 0.52 -2.79 0.02 -0.36 0.41 0.00 0.00 173.24 171.04 2eef s PHE 13 N -3.11 2.41 0.33 2.43 0.40 -1.26 -2.83 117.98 116.35 2eef s PHE 13 Ca 0.64 -0.73 0.05 0.00 -0.60 0.00 0.00 56.93 56.29 2eef s PHE 13 Cb -0.17 -1.69 -0.02 0.00 0.51 0.00 0.00 43.02 41.65 2eef s PHE 13 CO 0.55 0.37 0.32 0.14 0.70 0.00 0.00 175.22 177.31 2eef s VAL 14 N -2.81 0.00 -0.11 -0.44 -7.23 0.37 -4.66 120.40 105.52 2eef s VAL 14 Ca 0.34 -1.90 -0.07 0.00 -1.81 0.00 0.00 61.98 58.55 2eef s VAL 14 Cb 0.10 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 2eef s VAL 14 CO 0.17 0.00 0.15 -0.76 -0.31 0.00 0.00 175.10 174.35 2eef s LEU 15 N -3.33 4.39 -0.40 1.32 1.43 -1.26 -1.92 118.68 118.91 2eef s LEU 15 Ca 0.38 0.47 0.06 0.00 -1.03 0.00 0.00 54.13 54.01 2eef s LEU 15 Cb 0.02 -2.13 0.68 0.00 0.03 0.00 0.00 46.19 44.79 2eef s LEU 15 CO 0.25 0.40 1.85 -0.67 0.23 0.00 0.00 176.35 178.41 2eef n ASP 16 N 1.89 3.93 -3.78 2.29 -0.08 -1.22 -4.88 116.55 114.69 2eef n ASP 16 Ca -0.19 -3.52 -0.12 0.00 -1.51 0.00 0.00 54.79 49.45 2eef n ASP 16 Cb 0.55 -0.80 -0.08 0.00 2.34 0.00 0.00 41.12 43.13 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 -3.22 -0.10 0.44 -0.67 -0.12 -1.26 -4.93 117.98 108.13 2eef s PHE 17 Ca 0.55 0.05 -0.21 0.00 -0.05 0.00 0.00 56.93 57.27 2eef s PHE 17 Cb 0.46 0.06 -0.09 0.00 -0.63 0.00 0.00 43.02 42.82 2eef s PHE 17 CO 0.11 -0.42 1.01 -1.12 -0.05 0.00 0.00 175.22 174.75 2eef s SER 18 N -1.66 6.67 0.31 1.98 0.01 -1.26 -4.99 113.70 114.75 2eef s SER 18 Ca -0.10 1.86 -0.29 0.00 1.31 0.00 0.00 55.95 58.73 2eef s SER 18 Cb -0.04 -2.56 -0.11 0.00 0.21 0.00 0.00 66.02 63.53 2eef s SER 18 CO 0.01 -0.55 1.51 -1.10 0.41 0.00 0.00 173.24 173.51 2eef s GLN 19 N -3.02 4.17 0.18 12.44 -1.52 -1.26 -4.92 119.66 125.73 2eef s GLN 19 Ca 0.63 2.48 -0.06 0.00 -1.95 0.00 0.00 55.36 56.46 2eef s GLN 19 Cb -0.15 -3.03 0.08 0.00 -0.22 0.00 0.00 33.01 29.69 2eef s GLN 19 CO 0.19 -0.52 1.53 -1.00 -0.25 0.00 0.00 175.29 175.24 2eef h PRO 20 N 4.31 0.74 -0.06 2.91 0.13 -1.81 -2.93 132.00 135.29 2eef h PRO 20 Ca -0.48 -0.39 0.02 0.00 -0.87 0.00 0.00 66.00 64.28 2eef h PRO 20 Cb 1.22 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2eef h PRO 20 CO 0.74 1.01 0.10 0.66 -0.23 0.00 0.00 178.00 180.28 2eef h SER 21 N 0.60 0.00 -1.00 1.44 4.64 -1.76 -2.35 113.55 115.13 2eef h SER 21 Ca 0.05 0.00 0.30 0.00 -0.47 0.00 0.00 61.79 61.66 2eef h SER 21 Cb 0.96 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.91 2eef h SER 21 CO 0.09 0.00 0.57 0.00 -0.87 0.00 0.00 176.83 176.62 2eef h ALA 22 N 1.86 1.89 -2.93 5.18 0.00 -1.84 -3.20 119.26 120.23 2eef h ALA 22 Ca 0.03 0.17 -0.72 0.00 0.00 0.00 0.00 54.91 54.38 2eef h ALA 22 Cb 0.22 0.11 -0.32 0.00 0.00 0.00 0.00 17.79 17.80 2eef h ALA 22 CO -0.00 -0.47 -0.30 -0.51 0.00 0.00 0.00 179.25 177.97 2eef s ASP 23 N -5.00 5.68 0.28 0.00 1.11 -0.89 -4.94 116.67 112.91 2eef s ASP 23 Ca -0.10 -2.45 0.01 0.00 0.18 0.00 0.00 52.55 50.19 2eef s ASP 23 Cb 0.29 -1.97 0.61 0.00 1.07 0.00 0.00 42.92 42.92 2eef s ASP 23 CO 0.79 -0.53 1.75 0.22 1.18 0.00 0.00 175.17 178.58 2eef h TYR 24 N 7.73 0.81 0.10 4.23 3.20 -1.81 0.27 116.97 131.49 2eef h TYR 24 Ca -0.07 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 2eef h TYR 24 Cb 1.02 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.06 2eef h TYR 24 CO 0.73 0.15 -0.05 -0.07 -1.64 0.00 0.00 178.16 177.29 2eef h LEU 25 N 0.61 -0.11 -1.28 2.82 -0.00 -1.92 0.49 115.31 115.92 2eef h LEU 25 Ca 0.50 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 58.40 2eef h LEU 25 Cb 0.78 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.46 2eef h LEU 25 CO -0.40 -0.03 0.59 -0.78 -0.00 0.00 0.00 178.44 177.83 2eef h ASP 26 N -0.24 0.00 0.00 -0.43 3.58 -1.91 -1.06 116.42 116.37 2eef h ASP 26 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2eef h ASP 26 Cb 0.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2eef h ASP 26 CO 0.02 0.00 -0.23 0.15 -2.88 0.00 0.00 179.24 176.30 2eef h PHE 27 N 0.00 0.00 -1.20 0.28 3.04 -0.43 -3.36 116.94 115.28 2eef h PHE 27 Ca 0.02 0.00 0.34 0.00 3.98 0.00 0.00 57.97 62.31 2eef h PHE 27 Cb 1.20 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 39.64 2eef h PHE 27 CO 0.00 0.00 0.83 0.07 -2.02 0.00 0.00 178.31 177.19 2eef h ARG 28 N -0.74 0.13 -0.62 1.11 0.11 -0.00 0.61 114.38 114.97 2eef h ARG 28 Ca 0.00 -0.01 0.02 0.00 0.10 0.00 0.00 59.98 60.10 2eef h ARG 28 Cb 0.23 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.25 2eef h ARG 28 CO 0.00 0.09 0.41 -0.91 0.10 0.00 0.00 179.97 179.66 2eef h ASN 29 N 0.13 0.66 0.57 0.08 2.35 -1.39 -0.62 115.58 117.38 2eef h ASN 29 Ca 0.62 -0.01 -0.24 0.00 -0.55 0.00 0.00 56.30 56.12 2eef h ASN 29 Cb 2.14 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 40.35 2eef h ASN 29 CO -0.14 0.47 -1.07 0.03 -1.65 0.00 0.00 177.43 175.07 2eef h ARG 30 N 0.78 0.27 0.00 0.81 2.47 0.09 -1.48 114.38 117.31 2eef h ARG 30 Ca 0.24 -0.37 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 2eef h ARG 30 Cb 0.02 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 2eef h ARG 30 CO -0.06 1.11 0.00 -0.11 0.56 0.00 0.00 179.97 181.47 2eef n LEU 31 N -3.60 0.00 -0.07 3.04 7.94 -0.77 -0.18 117.00 123.35 2eef n LEU 31 Ca -0.06 0.43 -0.08 0.00 -1.11 0.00 0.00 56.01 55.19 2eef n LEU 31 Cb 0.92 -0.43 -0.11 0.00 0.53 0.00 0.00 43.42 44.33 2eef n LEU 31 CO 0.51 -0.08 -0.98 1.67 -1.11 0.00 0.00 177.39 177.40 2eef n GLN 32 N -1.43 1.47 -0.02 1.96 7.27 -0.31 -2.88 117.38 123.44 2eef n GLN 32 Ca 0.08 0.01 -0.06 0.00 0.07 0.00 0.00 57.00 57.11 2eef n GLN 32 Cb 0.25 -1.36 -0.13 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 -2.62 1.67 0.19 1.69 0.00 -0.56 -4.33 120.51 116.54 2eef n ALA 33 Ca -0.25 -0.77 0.04 0.00 0.00 0.00 0.00 53.44 52.46 2eef n ALA 33 Cb 0.93 -0.78 -0.06 0.00 0.00 0.00 0.00 19.45 19.54 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 -2.93 1.76 -1.66 0.00 2.03 0.74 -5.00 116.55 111.49 2eef n ASP 34 Ca -0.17 -0.33 -0.15 0.00 0.52 0.00 0.00 54.79 54.66 2eef n ASP 34 Cb 0.99 1.21 -0.02 0.00 -0.72 0.00 0.00 41.12 42.58 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 -1.52 -0.61 -3.63 -0.67 8.25 -1.08 -4.80 115.22 111.15 2eef n HIS 35 Ca -0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 2eef n HIS 35 Cb 0.18 -3.11 -0.06 0.00 1.12 0.00 0.00 29.99 28.12 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 -2.74 0.00 -0.29 1.59 0.11 -1.25 -3.10 120.40 114.73 2eef s VAL 36 Ca 0.00 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.81 2eef s VAL 36 Cb 0.00 -1.00 0.16 0.00 -1.53 0.00 0.00 36.38 34.01 2eef s VAL 36 CO 0.00 0.00 1.21 0.00 -3.33 0.00 0.00 175.10 172.98 2eef s LEU 38 N 0.23 4.23 0.00 0.00 2.96 -1.26 0.04 118.68 124.88 2eef s LEU 38 Ca 0.04 1.80 0.00 0.00 -0.22 0.00 0.00 54.13 55.75 2eef s LEU 38 Cb -0.05 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.10 2eef s LEU 38 CO -0.11 -0.72 0.27 1.21 -1.32 0.00 0.00 176.35 175.68 2eef n GLU 39 N 6.12 0.00 -4.18 1.98 2.13 0.05 -4.46 120.64 122.28 2eef n GLU 39 Ca 0.13 0.26 -0.19 0.00 0.66 0.00 0.00 57.16 58.02 2eef n GLU 39 Cb 0.45 -0.93 -0.12 0.00 0.27 0.00 0.00 31.44 31.11 2eef n GLU 39 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2eef s ASN 40 N -2.02 1.72 -0.13 4.31 4.22 -1.24 -3.03 114.94 118.76 2eef s ASN 40 Ca 0.00 -0.61 -0.03 0.00 -2.14 0.00 0.00 52.86 50.07 2eef s ASN 40 Cb 0.00 -0.06 0.05 0.00 1.28 0.00 0.00 41.25 42.52 2eef s ASN 40 CO 0.00 -0.07 0.06 0.00 -2.04 0.00 0.00 177.10 175.06 2eef s VAL 42 N 2.08 3.15 -0.05 0.00 -7.23 0.93 -4.99 120.40 114.28 2eef s VAL 42 Ca 0.03 -1.33 0.02 0.00 -1.81 0.00 0.00 61.98 58.89 2eef s VAL 42 Cb -0.15 -3.10 0.01 0.00 0.56 0.00 0.00 36.38 33.70 2eef s VAL 42 CO -0.07 -0.09 -0.10 -0.22 -0.31 0.00 0.00 175.10 174.31 2eef s LEU 43 N -4.08 1.61 0.00 1.32 0.20 -1.26 -2.28 118.68 114.19 2eef s LEU 43 Ca 0.45 -0.25 0.01 0.00 0.69 0.00 0.00 54.13 55.03 2eef s LEU 43 Cb -0.05 -0.71 -0.00 0.00 -0.43 0.00 0.00 46.19 45.00 2eef s LEU 43 CO 0.28 0.03 0.02 0.29 -0.29 0.00 0.00 176.35 176.67 2eef n LYS 44 N 3.75 1.22 -1.62 1.98 4.01 0.13 -4.98 118.16 122.64 2eef n LYS 44 Ca -0.23 -1.85 -0.44 0.00 -0.51 0.00 0.00 58.31 55.28 2eef n LYS 44 Cb 0.52 0.62 -0.04 0.00 -0.51 0.00 0.00 35.03 35.62 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 -1.32 3.50 -3.92 4.39 8.00 -1.26 -2.26 116.55 123.69 2eef n ASP 45 Ca -0.09 0.59 -0.30 0.00 0.71 0.00 0.00 54.79 55.70 2eef n ASP 45 Cb 0.32 -1.49 -0.05 0.00 -0.02 0.00 0.00 41.12 39.88 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 7.95 -1.51 -3.51 -1.24 4.76 -1.26 -4.84 118.16 118.50 2eef n LYS 46 Ca 0.26 0.12 -0.11 0.00 -2.87 0.00 0.00 58.31 55.72 2eef n LYS 46 Cb 0.39 -4.69 -0.02 0.00 -1.84 0.00 0.00 35.03 28.87 2eef n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2eef s ALA 47 N -2.89 -1.57 0.07 7.82 0.00 -0.96 -0.26 121.76 123.97 2eef s ALA 47 Ca 0.59 0.42 -0.00 0.00 0.00 0.00 0.00 51.96 52.96 2eef s ALA 47 Cb -0.34 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 2eef s ALA 47 CO 0.72 -0.81 -0.03 0.96 0.00 0.00 0.00 175.76 176.60 2eef s ILE 48 N -3.69 0.31 -0.16 0.00 -4.36 -0.18 0.17 121.20 113.30 2eef s ILE 48 Ca 0.03 -1.84 -0.10 0.00 -0.26 0.00 0.00 60.65 58.48 2eef s ILE 48 Cb -0.02 -1.59 0.05 0.00 1.25 0.00 0.00 42.46 42.15 2eef s ILE 48 CO -0.09 -0.93 0.40 0.00 0.24 0.00 0.00 174.94 174.55 2eef s ALA 49 N -3.87 -1.01 0.06 2.27 0.00 -0.97 -2.42 121.76 115.83 2eef s ALA 49 Ca 0.09 1.43 -0.19 0.00 0.00 0.00 0.00 51.96 53.30 2eef s ALA 49 Cb 0.07 -0.87 0.04 0.00 0.00 0.00 0.00 23.12 22.37 2eef s ALA 49 CO -0.08 -0.25 0.45 0.20 0.00 0.00 0.00 175.76 176.08 2eef s GLY 50 N 1.20 -0.33 -0.11 0.00 0.00 -0.86 -0.05 107.32 107.17 2eef s GLY 50 Ca -0.08 0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.97 2eef s GLY 50 CO -0.10 0.06 -0.12 -0.51 0.00 0.00 0.00 173.10 172.43 2eef s THR 51 N -2.77 3.21 -0.10 0.90 -4.23 -0.69 -0.78 115.64 111.17 2eef s THR 51 Ca -0.03 -0.62 -0.03 0.00 -1.18 0.00 0.00 61.69 59.82 2eef s THR 51 Cb -0.00 -2.33 -0.03 0.00 1.34 0.00 0.00 72.50 71.47 2eef s THR 51 CO -0.04 0.54 0.03 -0.69 -0.54 0.00 0.00 174.62 173.91 2eef s VAL 52 N 0.05 4.53 0.22 2.29 1.01 0.20 -0.77 120.40 127.92 2eef s VAL 52 Ca -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 2eef s VAL 52 Cb -0.14 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2eef s VAL 52 CO 0.04 0.59 0.42 -0.54 0.00 0.00 0.00 175.10 175.61 2eef s LYS 53 N -0.73 3.55 0.08 2.72 -0.14 0.11 -1.98 119.74 123.33 2eef s LYS 53 Ca 0.12 -0.26 -0.13 0.00 -1.36 0.00 0.00 55.97 54.33 2eef s LYS 53 Cb -0.12 -2.80 0.02 0.00 -1.68 0.00 0.00 37.83 33.25 2eef s LYS 53 CO 0.02 0.36 0.31 0.14 -0.76 0.00 0.00 175.35 175.43 2eef s VAL 54 N -1.91 0.09 0.20 3.17 -7.23 -1.25 -2.47 120.40 111.00 2eef s VAL 54 Ca 0.40 -0.75 -0.09 0.00 -1.81 0.00 0.00 61.98 59.73 2eef s VAL 54 Cb -0.11 -1.10 -0.07 0.00 0.56 0.00 0.00 36.38 35.66 2eef s VAL 54 CO 0.29 -0.42 0.50 -1.10 -0.31 0.00 0.00 175.10 174.07 2eef s GLN 55 N -3.21 3.76 -0.13 4.82 -1.52 -1.18 -4.19 119.66 118.01 2eef s GLN 55 Ca -0.00 0.19 -0.06 0.00 -1.95 0.00 0.00 55.36 53.54 2eef s GLN 55 Cb 0.01 -2.72 -0.23 0.00 -0.22 0.00 0.00 33.01 29.86 2eef s GLN 55 CO -0.08 0.37 3.51 0.09 -0.25 0.00 0.00 175.29 178.93 2eef n ASN 56 N -0.02 5.55 0.11 5.90 3.02 -1.26 -4.49 115.26 124.08 2eef n ASN 56 Ca -0.01 -2.56 -0.11 0.00 -0.03 0.00 0.00 54.58 51.88 2eef n ASN 56 Cb 0.52 -1.41 -0.07 0.00 -0.61 0.00 0.00 39.78 38.22 2eef n ASN 56 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2eef h LEU 57 N 5.00 -0.30 -8.84 3.41 3.38 -1.98 -3.46 115.31 112.53 2eef h LEU 57 Ca 0.25 -0.22 -0.67 0.00 0.09 0.00 0.00 57.88 57.32 2eef h LEU 57 Cb 1.37 0.08 -0.23 0.00 0.09 0.00 0.00 40.66 41.97 2eef h LEU 57 CO 0.38 0.19 -0.87 0.00 0.09 0.00 0.00 178.44 178.23 2eef s ALA 58 N -3.96 2.28 0.11 1.53 0.00 -1.26 -5.01 121.76 115.44 2eef s ALA 58 Ca -0.12 -1.39 -0.27 0.00 0.00 0.00 0.00 51.96 50.18 2eef s ALA 58 Cb 0.01 -0.39 -0.10 0.00 0.00 0.00 0.00 23.12 22.64 2eef s ALA 58 CO 0.42 0.52 1.64 0.74 0.00 0.00 0.00 175.76 179.08 2eef h PHE 59 N 4.12 -0.66 -3.63 0.00 0.04 -1.97 -3.39 116.94 111.45 2eef h PHE 59 Ca -0.49 0.01 -0.62 0.00 2.80 0.00 0.00 57.97 59.67 2eef h PHE 59 Cb 1.16 0.27 -0.13 0.00 2.20 0.00 0.00 35.95 39.45 2eef h PHE 59 CO 0.57 -0.35 -0.10 -1.21 -0.60 0.00 0.00 178.31 176.62 2eef s GLU 60 N -6.07 4.05 0.42 1.51 2.02 -1.26 -5.06 118.70 114.31 2eef s GLU 60 Ca -0.16 0.22 0.04 0.00 0.02 0.00 0.00 54.97 55.09 2eef s GLU 60 Cb 0.07 -3.65 -0.04 0.00 0.10 0.00 0.00 34.13 30.61 2eef s GLU 60 CO 0.65 -0.32 0.05 -1.59 0.02 0.00 0.00 175.26 174.07 2eef s LYS 61 N 2.20 1.95 -0.05 1.61 -2.85 -1.26 -4.65 119.74 116.70 2eef s LYS 61 Ca 0.19 -2.18 -0.02 0.00 -1.00 0.00 0.00 55.97 52.96 2eef s LYS 61 Cb -0.16 -1.12 0.04 0.00 -2.06 0.00 0.00 37.83 34.53 2eef s LYS 61 CO 0.09 -0.30 0.10 0.99 0.10 0.00 0.00 175.35 176.32 2eef s THR 62 N -3.04 -0.14 -0.13 3.79 2.01 -0.38 -5.01 115.64 112.73 2eef s THR 62 Ca 0.23 0.35 0.01 0.00 0.31 0.00 0.00 61.69 62.58 2eef s THR 62 Cb 0.05 -0.19 0.02 0.00 0.01 0.00 0.00 72.50 72.39 2eef s THR 62 CO 0.12 0.15 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.37 2eef s VAL 63 N 1.93 1.46 -0.09 3.82 1.01 -1.26 -0.93 120.40 126.34 2eef s VAL 63 Ca 0.01 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 2eef s VAL 63 Cb -0.12 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 34.92 2eef s VAL 63 CO -0.04 0.44 0.22 -0.54 0.00 0.00 0.00 175.10 175.18 2eef s LYS 64 N 1.38 0.23 -0.03 2.72 1.02 -1.15 -2.44 119.74 121.47 2eef s LYS 64 Ca 0.02 0.39 -0.15 0.00 0.02 0.00 0.00 55.97 56.25 2eef s LYS 64 Cb -0.13 0.02 -0.05 0.00 -0.52 0.00 0.00 37.83 37.14 2eef s LYS 64 CO -0.08 -0.09 0.39 0.42 -0.92 0.00 0.00 175.35 175.08 2eef s ILE 65 N 0.58 5.09 -0.35 2.17 -1.09 -0.88 -2.56 121.20 124.17 2eef s ILE 65 Ca -0.04 0.80 0.03 0.00 -2.23 0.00 0.00 60.65 59.22 2eef s ILE 65 Cb -0.05 -3.70 0.10 0.00 -1.58 0.00 0.00 42.46 37.23 2eef s ILE 65 CO -0.03 0.53 0.07 -0.13 -1.23 0.00 0.00 174.94 174.15 2eef s ARG 66 N -0.73 1.43 -0.01 2.79 0.52 -0.97 -1.07 118.95 120.92 2eef s ARG 66 Ca 0.23 -1.85 0.03 0.00 -0.52 0.00 0.00 55.73 53.63 2eef s ARG 66 Cb -0.16 -3.07 -0.03 0.00 0.52 0.00 0.00 34.95 32.21 2eef s ARG 66 CO 0.12 -0.96 -0.08 1.41 0.02 0.00 0.00 175.30 175.81 2eef s MET 67 N 0.89 2.54 0.14 3.54 1.75 -1.25 -1.65 119.30 125.26 2eef s MET 67 Ca 0.11 -0.71 0.10 0.00 -1.25 0.00 0.00 55.69 53.94 2eef s MET 67 Cb -0.19 -2.48 -0.04 0.00 2.84 0.00 0.00 34.83 34.95 2eef s MET 67 CO -0.09 0.61 -0.23 -0.08 -0.65 0.00 0.00 175.02 174.58 2eef s THR 68 N -0.94 2.03 -0.03 10.11 -1.32 -0.24 -3.44 115.64 121.81 2eef s THR 68 Ca 0.16 -1.78 0.04 0.00 -1.21 0.00 0.00 61.69 58.90 2eef s THR 68 Cb -0.11 -1.86 0.06 0.00 -1.51 0.00 0.00 72.50 69.08 2eef s THR 68 CO 0.06 -0.07 0.97 0.49 -2.21 0.00 0.00 174.62 173.85 2eef n PHE 69 N 0.71 0.00 -3.33 9.09 3.01 -1.25 -2.93 117.46 122.75 2eef n PHE 69 Ca -0.16 -0.52 -0.26 0.00 1.01 0.00 0.00 57.45 57.52 2eef n PHE 69 Cb 0.55 -0.06 -0.08 0.00 -0.01 0.00 0.00 39.48 39.87 2eef n PHE 69 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2eef n ASP 70 N -0.61 1.29 -3.59 4.37 -0.08 -1.25 -4.66 116.55 112.01 2eef n ASP 70 Ca 0.03 -2.89 -0.24 0.00 -1.51 0.00 0.00 54.79 50.18 2eef n ASP 70 Cb 0.39 -0.64 -0.06 0.00 2.34 0.00 0.00 41.12 43.14 2eef n ASP 70 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2eef n THR 71 N 1.49 -0.34 -3.20 5.18 -1.04 -1.24 0.15 114.28 115.28 2eef n THR 71 Ca 0.25 -0.17 -0.15 0.00 -2.04 0.00 0.00 64.05 61.94 2eef n THR 71 Cb 0.48 -0.50 0.07 0.00 -1.82 0.00 0.00 70.33 68.56 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 -3.09 -1.99 0.00 -1.42 7.02 -1.26 -4.94 117.44 111.75 2eef n TRP 72 Ca -0.08 0.81 0.00 0.00 -1.02 0.00 0.00 57.50 57.21 2eef n TRP 72 Cb 0.38 -4.52 0.00 0.00 -2.42 0.00 0.00 31.31 24.75 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 -3.57 0.66 -3.74 -0.99 5.02 0.40 -4.96 118.16 110.98 2eef n LYS 73 Ca -0.21 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.79 2eef n LYS 73 Cb 0.64 -0.90 -0.13 0.00 -0.02 0.00 0.00 35.03 34.61 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 -3.56 3.75 0.34 4.39 0.15 -1.26 -5.03 113.70 112.48 2eef s SER 74 Ca 0.00 -2.63 0.08 0.00 0.70 0.00 0.00 55.95 54.09 2eef s SER 74 Cb 0.00 -1.10 -0.03 0.00 -1.71 0.00 0.00 66.02 63.18 2eef s SER 74 CO 0.00 -0.27 0.27 -0.72 1.20 0.00 0.00 173.24 173.72 2eef s TYR 75 N 0.33 2.85 -0.09 3.44 -0.85 -1.26 -3.92 117.35 117.84 2eef s TYR 75 Ca 0.17 -0.33 -0.06 0.00 -0.52 0.00 0.00 57.07 56.33 2eef s TYR 75 Cb -0.25 -1.79 0.03 0.00 0.38 0.00 0.00 41.96 40.34 2eef s TYR 75 CO -0.00 0.20 0.22 0.99 -1.52 0.00 0.00 175.55 175.44 2eef s THR 76 N -2.34 -0.02 -0.38 -3.49 2.01 -1.22 -5.03 115.64 105.17 2eef s THR 76 Ca 0.41 0.07 -0.27 0.00 0.31 0.00 0.00 61.69 62.20 2eef s THR 76 Cb -0.05 -0.33 0.02 0.00 0.01 0.00 0.00 72.50 72.15 2eef s THR 76 CO 0.26 0.03 0.99 1.51 -0.69 0.00 0.00 174.62 176.72 2eef s ASP 77 N 0.60 6.72 -0.19 3.53 -4.77 -1.26 -3.87 116.67 117.44 2eef s ASP 77 Ca -0.04 0.66 -0.11 0.00 -3.30 0.00 0.00 52.55 49.76 2eef s ASP 77 Cb -0.05 -2.50 -0.05 0.00 -1.09 0.00 0.00 42.92 39.23 2eef s ASP 77 CO -0.03 -0.93 0.18 -0.36 0.70 0.00 0.00 175.17 174.72 2eef s PHE 78 N 3.68 3.43 0.14 2.11 0.08 -0.23 -4.96 117.98 122.24 2eef s PHE 78 Ca 0.41 0.41 -0.31 0.00 0.12 0.00 0.00 56.93 57.57 2eef s PHE 78 Cb -0.11 -2.21 -0.08 0.00 -0.57 0.00 0.00 43.02 40.05 2eef s PHE 78 CO 0.20 0.29 1.34 -1.25 -0.10 0.00 0.00 175.22 175.70 2eef s PRO 79 N 0.35 4.36 0.51 0.24 0.04 -1.26 -2.06 135.00 137.18 2eef s PRO 79 Ca 0.11 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.20 2eef s PRO 79 Cb -0.12 -3.23 0.02 0.00 0.04 0.00 0.00 34.50 31.21 2eef s PRO 79 CO -0.00 -0.34 0.72 0.00 0.04 0.00 0.00 177.00 177.42 2eef n GLN 81 N -2.22 0.78 -4.03 0.00 1.13 0.36 -4.93 117.38 108.48 2eef n GLN 81 Ca 0.06 -3.25 -0.34 0.00 -1.94 0.00 0.00 57.00 51.54 2eef n GLN 81 Cb 0.59 1.22 -0.15 0.00 0.11 0.00 0.00 30.24 32.01 2eef n GLN 81 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 2eef s TYR 82 N -2.77 2.88 -0.56 1.08 5.04 -1.26 -0.66 117.35 121.11 2eef s TYR 82 Ca 0.08 -1.41 -0.27 0.00 -2.44 0.00 0.00 57.07 53.03 2eef s TYR 82 Cb 0.00 -2.00 -0.03 0.00 0.35 0.00 0.00 41.96 40.28 2eef s TYR 82 CO 0.05 -0.71 1.99 0.08 -1.34 0.00 0.00 175.55 175.62 2eef s VAL 83 N 1.35 3.27 -0.44 3.14 1.01 -0.97 -4.92 120.40 122.86 2eef s VAL 83 Ca 0.04 0.17 -0.22 0.00 0.00 0.00 0.00 61.98 61.98 2eef s VAL 83 Cb -0.14 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.57 2eef s VAL 83 CO -0.09 -0.65 0.70 -0.75 0.00 0.00 0.00 175.10 174.31 2eef s LYS 84 N 7.25 3.35 -0.16 2.72 2.20 -1.26 -4.81 119.74 129.02 2eef s LYS 84 Ca 0.76 -0.25 -0.24 0.00 -0.36 0.00 0.00 55.97 55.88 2eef s LYS 84 Cb -0.14 -3.94 0.06 0.00 -1.51 0.00 0.00 37.83 32.30 2eef s LYS 84 CO 0.23 -1.04 0.62 -0.51 -0.36 0.00 0.00 175.35 174.29 2eef s ASP 85 N 2.04 -0.61 0.42 1.43 1.11 -1.25 -5.00 116.67 114.81 2eef s ASP 85 Ca 0.25 0.99 0.19 0.00 0.18 0.00 0.00 52.55 54.16 2eef s ASP 85 Cb -0.13 0.96 1.12 0.00 1.07 0.00 0.00 42.92 45.93 2eef s ASP 85 CO 0.20 -0.36 1.84 0.00 1.18 0.00 0.00 175.17 178.03 2eef h THR 86 N 3.76 0.63 0.16 -1.27 1.03 -1.99 0.55 112.91 115.79 2eef h THR 86 Ca -0.28 -0.13 -0.29 0.00 -0.01 0.00 0.00 66.41 65.70 2eef h THR 86 Cb 1.16 0.22 0.01 0.00 -1.07 0.00 0.00 68.15 68.48 2eef h THR 86 CO 0.22 0.07 -1.29 1.88 -0.01 0.00 0.00 175.52 176.39 2eef h TYR 87 N 0.38 0.63 -3.53 0.00 0.05 -1.98 -3.43 116.97 109.08 2eef h TYR 87 Ca 0.50 -0.45 -0.62 0.00 0.05 0.00 0.00 58.73 58.20 2eef h TYR 87 Cb 1.29 -0.03 -0.12 0.00 1.01 0.00 0.00 36.73 38.88 2eef h TYR 87 CO -0.00 1.35 0.24 0.00 -1.05 0.00 0.00 178.16 178.69 2eef s ALA 88 N -2.66 3.48 0.00 3.88 0.00 0.19 -4.51 121.76 122.13 2eef s ALA 88 Ca -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2eef s ALA 88 Cb 0.06 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2eef s ALA 88 CO 0.90 -1.28 0.00 0.41 0.00 0.00 0.00 175.76 175.79 2eef n GLY 89 N 4.50 0.46 0.19 0.00 0.00 -1.26 -3.76 105.19 105.32 2eef n GLY 89 Ca 0.01 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 2eef n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2eef n SER 90 N 0.00 1.84 0.05 1.61 7.64 -1.26 -4.97 113.62 118.53 2eef n SER 90 Ca 0.00 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.19 2eef n SER 90 Cb 0.00 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 2eef n SER 90 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2eef n ASP 91 N -4.31 0.71 -4.98 6.43 5.75 -1.26 -5.10 116.55 113.79 2eef n ASP 91 Ca -0.22 0.16 -0.20 0.00 -0.01 0.00 0.00 54.79 54.53 2eef n ASP 91 Cb 0.56 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 2eef n ASP 91 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2eef s ARG 92 N -2.00 3.01 0.26 0.11 1.04 -1.26 -4.92 118.95 115.20 2eef s ARG 92 Ca 0.00 -0.92 0.01 0.00 -1.04 0.00 0.00 55.73 53.78 2eef s ARG 92 Cb 0.00 -2.73 -0.04 0.00 -2.04 0.00 0.00 34.95 30.14 2eef s ARG 92 CO 0.00 -0.12 0.44 -0.51 -0.04 0.00 0.00 175.30 175.06 2eef s ASP 93 N -4.23 6.34 -0.03 -2.89 1.11 -1.26 -4.46 116.67 111.25 2eef s ASP 93 Ca 0.48 0.33 0.02 0.00 0.18 0.00 0.00 52.55 53.57 2eef s ASP 93 Cb -0.10 -1.98 0.01 0.00 1.07 0.00 0.00 42.92 41.92 2eef s ASP 93 CO 0.33 -0.14 -0.09 -0.89 1.18 0.00 0.00 175.17 175.57 2eef s THR 94 N -2.05 0.79 0.06 -1.27 2.01 -1.26 -3.91 115.64 109.99 2eef s THR 94 Ca 0.38 -0.35 0.08 0.00 0.31 0.00 0.00 61.69 62.11 2eef s THR 94 Cb -0.10 -0.71 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 2eef s THR 94 CO 0.31 0.25 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.91 2eef s PHE 95 N 0.27 1.95 0.38 4.92 0.40 -0.84 -2.28 117.98 122.78 2eef s PHE 95 Ca -0.04 -0.39 0.08 0.00 -0.60 0.00 0.00 56.93 55.98 2eef s PHE 95 Cb -0.09 -1.15 -0.06 0.00 0.51 0.00 0.00 43.02 42.23 2eef s PHE 95 CO 0.01 0.13 0.05 0.45 0.70 0.00 0.00 175.22 176.55 2eef s SER 96 N -1.32 4.14 -0.18 1.36 0.15 0.17 0.62 113.70 118.64 2eef s SER 96 Ca 0.09 -1.12 -0.14 0.00 0.70 0.00 0.00 55.95 55.47 2eef s SER 96 Cb -0.09 -0.47 0.05 0.00 -1.71 0.00 0.00 66.02 63.80 2eef s SER 96 CO 0.02 -0.37 0.46 0.72 1.20 0.00 0.00 173.24 175.28 2eef s PHE 97 N -2.59 -0.56 -0.31 3.44 -0.12 0.04 -0.48 117.98 117.40 2eef s PHE 97 Ca 0.36 1.29 0.00 0.00 -0.05 0.00 0.00 56.93 58.54 2eef s PHE 97 Cb 0.04 0.22 0.10 0.00 -0.63 0.00 0.00 43.02 42.74 2eef s PHE 97 CO 0.20 -0.28 0.08 0.16 -0.05 0.00 0.00 175.22 175.32 2eef s ASP 98 N 0.59 4.16 0.04 1.98 -4.77 -1.26 -2.02 116.67 115.39 2eef s ASP 98 Ca -0.03 -1.72 -0.00 0.00 -3.30 0.00 0.00 52.55 47.50 2eef s ASP 98 Cb -0.05 -1.04 -0.04 0.00 -1.09 0.00 0.00 42.92 40.70 2eef s ASP 98 CO -0.04 -0.40 0.17 -0.63 0.70 0.00 0.00 175.17 174.97 2eef s ILE 99 N 1.45 5.19 -0.18 2.11 1.01 -1.02 -4.96 121.20 124.80 2eef s ILE 99 Ca 0.09 -0.39 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 2eef s ILE 99 Cb -0.18 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 2eef s ILE 99 CO -0.20 0.22 0.12 -0.94 0.00 0.00 0.00 174.94 174.13 2eef s SER 100 N -2.23 6.15 0.57 3.58 1.04 -1.26 -1.01 113.70 120.53 2eef s SER 100 Ca 0.30 0.25 -0.17 0.00 0.48 0.00 0.00 55.95 56.82 2eef s SER 100 Cb -0.13 -2.06 -0.05 0.00 0.10 0.00 0.00 66.02 63.89 2eef s SER 100 CO 0.23 0.23 1.05 -0.76 0.98 0.00 0.00 173.24 174.96 2eef s LEU 101 N 0.08 3.58 0.76 2.42 1.43 0.64 -4.92 118.68 122.67 2eef s LEU 101 Ca 0.09 1.82 -0.11 0.00 -1.03 0.00 0.00 54.13 54.90 2eef s LEU 101 Cb -0.11 -4.54 0.05 0.00 0.03 0.00 0.00 46.19 41.62 2eef s LEU 101 CO -0.01 -1.04 1.09 -2.16 0.23 0.00 0.00 176.35 174.46 2eef s PRO 102 N -3.90 2.29 0.25 1.29 0.04 -1.26 -4.83 135.00 128.88 2eef s PRO 102 Ca 0.64 1.19 -0.08 0.00 0.04 0.00 0.00 61.00 62.79 2eef s PRO 102 Cb -0.16 -1.90 0.40 0.00 0.04 0.00 0.00 34.50 32.88 2eef s PRO 102 CO 0.33 -1.62 1.39 -0.85 0.04 0.00 0.00 177.00 176.29 2eef n GLU 103 N -3.43 -0.09 -3.43 4.56 0.28 -1.26 -4.67 120.64 112.60 2eef n GLU 103 Ca 0.09 1.39 -0.13 0.00 -0.16 0.00 0.00 57.16 58.36 2eef n GLU 103 Cb 0.53 -2.07 -0.02 0.00 1.43 0.00 0.00 31.44 31.30 2eef n GLU 103 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2eef s LYS 104 N -6.10 1.26 0.00 3.44 -2.85 -1.26 -4.84 119.74 109.39 2eef s LYS 104 Ca -0.13 -0.40 0.00 0.00 -1.00 0.00 0.00 55.97 54.44 2eef s LYS 104 Cb 0.24 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.59 2eef s LYS 104 CO 0.69 -0.54 0.10 -0.89 0.10 0.00 0.00 175.35 174.81 2eef n ILE 105 N -0.25 0.00 -1.80 3.79 5.41 -1.26 -4.99 119.36 120.26 2eef n ILE 105 Ca -0.17 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.28 2eef n ILE 105 Cb 0.64 1.13 0.00 0.00 -0.71 0.00 0.00 39.64 40.71 2eef n ILE 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2eef n GLN 106 N -0.40 -2.09 -3.70 0.38 6.02 -1.26 -1.25 117.38 115.08 2eef n GLN 106 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.72 2eef n GLN 106 Cb 0.03 -4.04 -0.06 0.00 1.02 0.00 0.00 30.24 27.19 2eef n GLN 106 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2eef n SER 107 N -0.46 -0.47 -0.14 1.08 2.88 -1.26 -4.71 113.62 110.55 2eef n SER 107 Ca 0.00 -0.89 0.03 0.00 -1.33 0.00 0.00 58.87 56.68 2eef n SER 107 Cb 0.28 -1.12 0.04 0.00 -0.75 0.00 0.00 64.21 62.66 2eef n SER 107 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2eef n TYR 108 N -3.22 0.00 -4.22 0.66 4.11 -0.38 -5.07 117.16 109.03 2eef n TYR 108 Ca -0.05 -0.41 -0.13 0.00 -0.00 0.00 0.00 57.90 57.32 2eef n TYR 108 Cb 0.39 -0.07 -0.10 0.00 -0.00 0.00 0.00 39.34 39.56 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 -1.07 1.22 0.04 -3.48 0.41 -1.25 -5.15 118.70 109.42 2eef s GLU 109 Ca 0.09 -1.64 -0.14 0.00 -0.41 0.00 0.00 54.97 52.86 2eef s GLU 109 Cb 0.08 0.17 -0.06 0.00 -1.78 0.00 0.00 34.13 32.54 2eef s GLU 109 CO 0.01 -0.37 0.44 0.50 -0.49 0.00 0.00 175.26 175.35 2eef s ARG 110 N -4.13 3.93 -0.15 1.61 6.06 -1.26 -5.01 118.95 119.99 2eef s ARG 110 Ca 0.38 0.41 -0.04 0.00 -2.50 0.00 0.00 55.73 53.99 2eef s ARG 110 Cb 0.07 -3.15 0.07 0.00 0.06 0.00 0.00 34.95 32.00 2eef s ARG 110 CO 0.12 0.64 0.20 1.41 -2.50 0.00 0.00 175.30 175.17 2eef s MET 111 N -1.31 0.12 0.08 5.12 -2.45 -1.26 -3.68 119.30 115.92 2eef s MET 111 Ca 0.27 0.37 -0.06 0.00 -1.25 0.00 0.00 55.69 55.03 2eef s MET 111 Cb -0.16 -0.80 -0.02 0.00 1.25 0.00 0.00 34.83 35.10 2eef s MET 111 CO 0.15 -0.49 0.12 -1.21 1.05 0.00 0.00 175.02 174.63 2eef s GLU 112 N 2.31 0.79 0.02 4.11 2.02 -1.15 -2.70 118.70 124.10 2eef s GLU 112 Ca 0.05 -1.09 -0.01 0.00 0.02 0.00 0.00 54.97 53.93 2eef s GLU 112 Cb -0.14 0.29 -0.02 0.00 0.10 0.00 0.00 34.13 34.37 2eef s GLU 112 CO -0.09 -0.23 -0.00 -0.59 0.02 0.00 0.00 175.26 174.37 2eef s PHE 113 N -3.90 0.22 0.01 1.61 -0.12 -1.26 -1.08 117.98 113.46 2eef s PHE 113 Ca 0.08 -0.45 0.04 0.00 -0.05 0.00 0.00 56.93 56.55 2eef s PHE 113 Cb 0.06 -0.16 -0.01 0.00 -0.63 0.00 0.00 43.02 42.27 2eef s PHE 113 CO -0.09 -0.20 -0.14 0.00 -0.05 0.00 0.00 175.22 174.75 2eef s ALA 114 N -1.39 1.14 -0.02 1.99 0.00 -0.66 -4.01 121.76 118.81 2eef s ALA 114 Ca -0.15 -0.66 -0.26 0.00 0.00 0.00 0.00 51.96 50.89 2eef s ALA 114 Cb -0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 2eef s ALA 114 CO -0.01 0.26 0.82 0.08 0.00 0.00 0.00 175.76 176.91 2eef s VAL 115 N -0.48 4.91 -0.39 0.00 1.01 -0.99 -2.29 120.40 122.18 2eef s VAL 115 Ca 0.04 1.72 0.04 0.00 0.00 0.00 0.00 61.98 63.77 2eef s VAL 115 Cb -0.06 -4.16 0.11 0.00 0.00 0.00 0.00 36.38 32.27 2eef s VAL 115 CO 0.00 0.24 0.11 -0.47 0.00 0.00 0.00 175.10 174.98 2eef s TYR 116 N 0.69 3.62 -0.33 5.22 5.04 -1.06 -2.19 117.35 128.34 2eef s TYR 116 Ca 0.43 -3.03 -0.12 0.00 -2.44 0.00 0.00 57.07 51.91 2eef s TYR 116 Cb -0.20 -2.91 -0.01 0.00 0.35 0.00 0.00 41.96 39.19 2eef s TYR 116 CO 0.23 -0.90 0.21 -0.47 -1.34 0.00 0.00 175.55 173.27 2eef s TYR 117 N 0.61 3.21 -0.11 4.97 5.04 -0.99 -2.91 117.35 127.17 2eef s TYR 117 Ca 0.12 -0.43 -0.03 0.00 -2.44 0.00 0.00 57.07 54.30 2eef s TYR 117 Cb -0.21 -2.43 -0.03 0.00 0.35 0.00 0.00 41.96 39.64 2eef s TYR 117 CO -0.06 -0.43 -0.00 -2.00 -1.34 0.00 0.00 175.55 171.72 2eef s GLU 118 N 1.66 3.20 -0.18 4.97 -6.30 -0.11 -1.77 118.70 120.17 2eef s GLU 118 Ca 0.05 -0.42 -0.33 0.00 -2.50 0.00 0.00 54.97 51.77 2eef s GLU 118 Cb -0.17 -2.85 0.14 0.00 0.00 0.00 0.00 34.13 31.24 2eef s GLU 118 CO 0.08 0.58 1.16 0.00 0.02 0.00 0.00 175.26 177.10 2eef n ASN 120 N 0.13 -1.90 -3.53 0.00 3.02 -1.26 0.30 115.26 112.03 2eef n ASN 120 Ca -0.03 -1.07 -0.26 0.00 -0.03 0.00 0.00 54.58 53.20 2eef n ASN 120 Cb 0.59 -2.56 0.03 0.00 -0.61 0.00 0.00 39.78 37.23 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 -1.64 -0.51 3.22 7.41 0.00 -1.26 -4.97 105.19 107.43 2eef n GLY 121 Ca -0.06 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 -6.22 1.10 -0.10 1.61 -1.52 0.15 -5.15 119.66 109.52 2eef s GLN 122 Ca 0.51 -1.54 -0.02 0.00 -1.95 0.00 0.00 55.36 52.36 2eef s GLN 122 Cb -0.25 -0.08 0.04 0.00 -0.22 0.00 0.00 33.01 32.50 2eef s GLN 122 CO 0.63 -0.21 0.03 0.99 -0.25 0.00 0.00 175.29 176.49 2eef s THR 123 N -3.82 0.25 -0.10 -0.19 2.01 -1.26 -2.02 115.64 110.50 2eef s THR 123 Ca 0.27 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.26 2eef s THR 123 Cb 0.07 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.98 2eef s THR 123 CO 0.05 0.08 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.69 2eef s TYR 124 N 2.01 2.98 -0.22 4.92 2.02 -0.73 -5.01 117.35 123.32 2eef s TYR 124 Ca 0.03 -0.11 -0.03 0.00 -0.37 0.00 0.00 57.07 56.59 2eef s TYR 124 Cb -0.14 -1.81 -0.00 0.00 -0.40 0.00 0.00 41.96 39.61 2eef s TYR 124 CO -0.06 0.19 -0.06 -1.58 -1.57 0.00 0.00 175.55 172.47 2eef s TRP 125 N -0.35 2.95 -0.32 2.71 0.52 -1.26 -2.35 118.94 120.84 2eef s TRP 125 Ca 0.05 -1.05 -0.01 0.00 0.02 0.00 0.00 56.10 55.11 2eef s TRP 125 Cb -0.12 -2.09 0.10 0.00 -1.15 0.00 0.00 33.47 30.21 2eef s TRP 125 CO 0.02 -0.59 0.12 0.34 0.02 0.00 0.00 176.95 176.86 2eef s ASP 126 N 1.45 3.90 -0.21 2.95 2.15 -0.93 -5.00 116.67 120.98 2eef s ASP 126 Ca 0.05 -1.70 -0.01 0.00 0.43 0.00 0.00 52.55 51.32 2eef s ASP 126 Cb -0.14 -0.80 0.06 0.00 -0.30 0.00 0.00 42.92 41.74 2eef s ASP 126 CO -0.04 -0.40 -0.01 -0.94 -0.17 0.00 0.00 175.17 173.61 2eef s SER 127 N 1.55 3.30 -1.43 -0.34 1.04 -1.26 -2.33 113.70 114.21 2eef s SER 127 Ca 0.11 -0.96 -0.02 0.00 0.48 0.00 0.00 55.95 55.56 2eef s SER 127 Cb -0.18 -0.87 0.00 0.00 0.10 0.00 0.00 66.02 65.08 2eef s SER 127 CO -0.23 -0.27 0.25 -3.20 0.98 0.00 0.00 173.24 170.77 2eef n ASN 128 N 4.88 -5.34 -3.68 7.02 5.15 -1.26 -2.89 115.26 119.14 2eef n ASN 128 Ca -0.10 -0.13 -0.27 0.00 -0.60 0.00 0.00 54.58 53.47 2eef n ASN 128 Cb 0.46 -4.30 -0.06 0.00 -0.53 0.00 0.00 39.78 35.35 2eef n ASN 128 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2eef n ARG 129 N -3.12 -0.85 0.00 1.20 1.74 -1.26 -4.06 116.66 110.31 2eef n ARG 129 Ca -0.16 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 2eef n ARG 129 Cb 0.63 -3.05 0.00 0.00 -1.02 0.00 0.00 32.46 29.02 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 -1.28 -1.76 0.00 -0.13 0.00 -1.14 -5.05 105.19 95.83 2eef n GLY 130 Ca -0.02 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 -3.59 1.61 4.76 -1.24 -4.84 118.16 114.85 2eef n LYS 131 Ca 0.00 0.12 -0.04 0.00 -2.87 0.00 0.00 58.31 55.51 2eef n LYS 131 Cb 0.00 -0.52 -0.02 0.00 -1.84 0.00 0.00 35.03 32.66 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 -2.87 -0.14 0.07 4.39 2.20 -1.14 -4.75 114.94 112.70 2eef s ASN 132 Ca 0.00 -0.01 -0.30 0.00 -0.94 0.00 0.00 52.86 51.61 2eef s ASN 132 Cb 0.00 0.15 -0.05 0.00 -2.00 0.00 0.00 41.25 39.35 2eef s ASN 132 CO 0.00 -0.25 1.03 -0.31 -2.94 0.00 0.00 177.10 174.63 2eef s TYR 133 N -2.44 3.65 -0.80 1.54 2.02 -1.26 -4.70 117.35 115.37 2eef s TYR 133 Ca 0.10 1.64 -0.04 0.00 -0.37 0.00 0.00 57.07 58.39 2eef s TYR 133 Cb -0.01 -3.18 0.20 0.00 -0.40 0.00 0.00 41.96 38.58 2eef s TYR 133 CO -0.05 -0.27 0.67 -0.98 -1.57 0.00 0.00 175.55 173.36 2eef s ARG 134 N 0.54 3.12 -0.31 -0.62 1.70 -1.26 -3.99 118.95 118.12 2eef s ARG 134 Ca 0.51 -2.89 -0.29 0.00 -0.47 0.00 0.00 55.73 52.60 2eef s ARG 134 Cb -0.24 -3.98 -0.01 0.00 -0.57 0.00 0.00 34.95 30.15 2eef s ARG 134 CO 0.30 -1.23 1.45 0.42 -1.08 0.00 0.00 175.30 175.15 2eef s ILE 135 N -0.66 3.92 0.42 4.99 1.01 -1.10 -3.40 121.20 126.38 2eef s ILE 135 Ca 0.22 1.00 0.04 0.00 0.00 0.00 0.00 60.65 61.92 2eef s ILE 135 Cb -0.13 -4.02 0.04 0.00 0.01 0.00 0.00 42.46 38.37 2eef s ILE 135 CO -0.08 -0.50 0.33 2.30 0.00 0.00 0.00 174.94 177.00 2eef n ILE 136 N 6.57 0.00 -2.50 2.92 -5.35 -0.81 -4.66 119.36 115.53 2eef n ILE 136 Ca 0.17 -1.66 -0.24 0.00 -0.27 0.00 0.00 62.75 60.75 2eef n ILE 136 Cb 0.47 -0.17 0.09 0.00 -1.74 0.00 0.00 39.64 38.29 2eef n ILE 136 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2eef s ARG 137 N -3.75 1.86 0.11 6.28 3.52 -1.26 -0.48 118.95 125.24 2eef s ARG 137 Ca 0.25 -0.88 0.01 0.00 -0.13 0.00 0.00 55.73 54.99 2eef s ARG 137 Cb -0.02 -2.31 -0.18 0.00 -1.56 0.00 0.00 34.95 30.88 2eef s ARG 137 CO 0.16 -1.33 1.25 0.00 -0.81 0.00 0.00 175.30 174.57 2eef h ALA 138 N -0.48 0.29 0.00 6.12 0.00 -1.79 -3.18 119.26 120.22 2eef h ALA 138 Ca -0.39 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 53.66 2eef h ALA 138 Cb 1.28 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2eef h ALA 138 CO 0.45 1.04 -0.05 1.05 0.00 0.00 0.00 179.25 181.75 2eef h GLU 139 N 0.06 0.00 0.07 0.00 4.11 -1.96 -2.62 114.58 114.25 2eef h GLU 139 Ca -0.07 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.21 2eef h GLU 139 Cb 1.78 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.04 2eef h GLU 139 CO 0.16 0.05 -0.61 -0.07 0.07 0.00 0.00 179.01 178.61 2eef h LEU 140 N 0.00 0.42 -8.76 3.06 3.38 -1.96 -3.45 115.31 108.00 2eef h LEU 140 Ca -0.00 -0.88 -0.72 0.00 0.09 0.00 0.00 57.88 56.37 2eef h LEU 140 Cb 0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2eef h LEU 140 CO 0.01 1.26 1.15 1.17 0.09 0.00 0.00 178.44 182.11 2eef n LYS 141 N -4.24 0.95 -0.93 1.13 3.00 -0.99 -4.86 118.16 112.22 2eef n LYS 141 Ca -0.12 0.31 -0.36 0.00 -0.00 0.00 0.00 58.31 58.14 2eef n LYS 141 Cb 0.71 -2.14 0.07 0.00 0.00 0.00 0.00 35.03 33.66 2eef n LYS 141 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2eef n SER 142 N 7.32 -3.92 -1.36 3.14 7.64 -1.26 -4.91 113.62 120.26 2eef n SER 142 Ca 0.36 0.09 -0.10 0.00 1.01 0.00 0.00 58.87 60.23 2eef n SER 142 Cb 0.14 -0.76 0.11 0.00 -1.01 0.00 0.00 64.21 62.70 2eef n SER 142 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2eef n THR 143 N -3.27 2.41 -0.12 0.44 5.66 -1.26 -4.72 114.28 113.41 2eef n THR 143 Ca -0.00 -3.70 -0.25 0.00 -3.05 0.00 0.00 64.05 57.04 2eef n THR 143 Cb 0.64 -0.70 -0.09 0.00 -1.55 0.00 0.00 70.33 68.62 2eef n THR 143 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 2eef n GLN 144 N -0.91 0.57 -1.14 1.09 0.00 -1.26 -4.99 117.38 110.74 2eef n GLN 144 Ca 0.33 0.35 -0.37 0.00 -0.00 0.00 0.00 57.00 57.31 2eef n GLN 144 Cb 0.84 -1.56 0.05 0.00 0.00 0.00 0.00 30.24 29.57 2eef n GLN 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2eef n GLY 145 N 1.33 -3.06 3.83 1.69 0.00 -1.26 -5.00 105.19 102.71 2eef n GLY 145 Ca -0.44 -0.49 -0.06 0.00 0.00 0.00 0.00 46.02 45.04 2eef n GLY 145 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2eef s MET 146 N -2.08 1.72 0.14 1.61 0.23 -1.26 -5.13 119.30 114.53 2eef s MET 146 Ca 0.54 -1.06 -0.34 0.00 -1.03 0.00 0.00 55.69 53.80 2eef s MET 146 Cb -0.33 0.51 -0.14 0.00 -1.53 0.00 0.00 34.83 33.34 2eef s MET 146 CO 0.69 -0.80 1.53 0.25 -2.03 0.00 0.00 175.02 174.66 2eef n THR 147 N -0.55 0.00 -5.12 3.16 -2.24 -1.26 -4.98 114.28 103.28 2eef n THR 147 Ca -0.06 -0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.43 2eef n THR 147 Cb 0.60 -1.38 -0.16 0.00 -2.10 0.00 0.00 70.33 67.29 2eef n THR 147 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2eef s LYS 148 N 0.84 1.88 1.18 -0.78 2.20 -1.26 -5.14 119.74 118.65 2eef s LYS 148 Ca 0.80 -0.88 -0.18 0.00 -0.36 0.00 0.00 55.97 55.35 2eef s LYS 148 Cb -0.74 -1.85 0.27 0.00 -1.51 0.00 0.00 37.83 34.01 2eef s LYS 148 CO 0.40 0.50 1.11 -1.25 -0.36 0.00 0.00 175.35 175.75 2eef s PRO 149 N -0.66 -1.02 0.14 4.03 0.04 -1.26 -5.10 135.00 131.18 2eef s PRO 149 Ca 0.09 0.00 -0.07 0.00 0.04 0.00 0.00 61.00 61.07 2eef s PRO 149 Cb -0.09 -1.61 -0.01 0.00 0.04 0.00 0.00 34.50 32.82 2eef s PRO 149 CO -0.00 -3.59 0.21 -1.58 0.04 0.00 0.00 177.00 172.08 2eef s HIS 150 N -3.00 0.46 0.13 0.56 2.46 -1.26 -5.17 115.29 109.46 2eef s HIS 150 Ca 0.70 -0.84 0.03 0.00 0.47 0.00 0.00 55.06 55.42 2eef s HIS 150 Cb -0.11 -0.15 -0.04 0.00 -0.13 0.00 0.00 32.58 32.15 2eef s HIS 150 CO 0.56 -0.64 0.19 -1.12 -2.47 0.00 0.00 174.74 171.26 2eef s SER 151 N -2.97 5.93 -0.02 9.88 0.01 -1.26 -5.12 113.70 120.15 2eef s SER 151 Ca 0.16 0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.51 2eef s SER 151 Cb 0.05 -1.69 -0.00 0.00 0.21 0.00 0.00 66.02 64.58 2eef s SER 151 CO -0.02 0.10 -0.10 -0.83 0.41 0.00 0.00 173.24 172.80 2eef s GLY 152 N -2.92 0.55 0.66 3.44 0.00 -1.26 -5.15 107.32 102.64 2eef s GLY 152 Ca 0.32 -0.42 -0.11 0.00 0.00 0.00 0.00 44.72 44.52 2eef s GLY 152 CO 0.26 -0.24 0.59 -1.55 0.00 0.00 0.00 173.10 172.15 2eef n PRO 153 N 3.06 -2.17 -4.58 2.90 -0.04 -1.26 -5.09 135.00 127.82 2eef n PRO 153 Ca -0.16 -0.94 -0.26 0.00 -0.04 0.00 0.00 63.50 62.10 2eef n PRO 153 Cb 0.55 -0.88 -0.10 0.00 -0.04 0.00 0.00 33.50 33.03 2eef n PRO 153 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2eef s ASP 154 N -3.09 3.33 0.04 3.54 1.01 -1.26 -5.08 116.67 115.15 2eef s ASP 154 Ca 0.38 -1.44 -0.22 0.00 0.71 0.00 0.00 52.55 51.98 2eef s ASP 154 Cb -0.04 -0.08 -0.12 0.00 1.01 0.00 0.00 42.92 43.70 2eef s ASP 154 CO 0.29 -0.60 1.33 0.25 0.21 0.00 0.00 175.17 176.65 2eef h LEU 155 N 1.82 -0.71 0.00 1.23 6.46 -2.10 -3.58 115.31 118.43 2eef h LEU 155 Ca -0.42 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 2eef h LEU 155 Cb 1.26 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 41.38 2eef h LEU 155 CO 0.74 -0.47 0.00 0.61 -0.62 0.00 0.00 178.44 178.70