#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 5.39 -0.29 1.61 1.04 -1.26 -5.11 113.70 115.09 2eef s SER 2 Ca 0.00 0.25 -0.03 0.00 0.48 0.00 0.00 55.95 56.65 2eef s SER 2 Cb 0.00 -1.21 0.17 0.00 0.10 0.00 0.00 66.02 65.08 2eef s SER 2 CO 0.00 -1.09 0.56 -0.44 0.98 0.00 0.00 173.24 173.25 2eef s SER 3 N -4.37 -1.02 0.00 7.02 0.01 -1.26 -5.13 113.70 108.96 2eef s SER 3 Ca 0.55 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.68 2eef s SER 3 Cb -0.10 1.97 0.00 0.00 0.21 0.00 0.00 66.02 68.09 2eef s SER 3 CO 0.40 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.40 2eef n GLY 4 N 5.42 0.10 4.22 3.44 0.00 -1.26 -4.90 105.19 112.20 2eef n GLY 4 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 2eef n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2eef n SER 5 N 0.00 -2.79 -4.55 1.61 3.41 -1.26 -4.88 113.62 105.16 2eef n SER 5 Ca 0.00 -1.03 -0.43 0.00 -0.26 0.00 0.00 58.87 57.15 2eef n SER 5 Cb 0.00 -2.69 -0.06 0.00 -0.26 0.00 0.00 64.21 61.21 2eef n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2eef s SER 6 N -3.43 6.43 -0.28 4.04 1.04 -1.26 -5.00 113.70 115.24 2eef s SER 6 Ca 0.65 -0.01 -0.22 0.00 0.48 0.00 0.00 55.95 56.85 2eef s SER 6 Cb -0.36 -2.37 0.10 0.00 0.10 0.00 0.00 66.02 63.49 2eef s SER 6 CO 0.93 -0.83 0.84 -0.83 0.98 0.00 0.00 173.24 174.34 2eef s GLY 7 N 2.02 -0.37 -0.02 7.32 0.00 -1.26 -5.17 107.32 109.84 2eef s GLY 7 Ca 0.29 2.44 -0.29 0.00 0.00 0.00 0.00 44.72 47.16 2eef s GLY 7 CO 0.20 2.00 0.65 0.00 0.00 0.00 0.00 173.10 175.95 2eef s ALA 8 N 0.68 -1.70 -0.12 3.20 0.00 -1.26 -5.16 121.76 117.41 2eef s ALA 8 Ca -0.02 1.16 0.02 0.00 0.00 0.00 0.00 51.96 53.12 2eef s ALA 8 Cb -0.05 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.20 2eef s ALA 8 CO -0.07 -0.42 -0.18 -1.83 0.00 0.00 0.00 175.76 173.26 2eef s GLU 9 N -1.54 2.56 0.06 0.00 1.03 -1.26 -5.13 118.70 114.42 2eef s GLU 9 Ca -0.09 -0.69 0.02 0.00 0.03 0.00 0.00 54.97 54.24 2eef s GLU 9 Cb -0.00 -2.10 -0.03 0.00 -0.80 0.00 0.00 34.13 31.20 2eef s GLU 9 CO 0.07 -0.01 -0.08 -1.12 -1.33 0.00 0.00 175.26 172.78 2eef s SER 10 N 0.83 1.00 0.45 0.83 0.01 -1.26 -5.15 113.70 110.41 2eef s SER 10 Ca -0.09 -0.66 -0.21 0.00 1.31 0.00 0.00 55.95 56.30 2eef s SER 10 Cb -0.16 0.04 -0.10 0.00 0.21 0.00 0.00 66.02 66.02 2eef s SER 10 CO -0.00 -0.25 1.00 -1.61 0.41 0.00 0.00 173.24 172.78 2eef s GLU 11 N -2.11 4.05 0.68 12.44 2.02 -1.26 -5.06 118.70 129.46 2eef s GLU 11 Ca -0.04 1.27 0.00 0.00 0.02 0.00 0.00 54.97 56.22 2eef s GLU 11 Cb -0.07 -2.20 0.11 0.00 0.10 0.00 0.00 34.13 32.07 2eef s GLU 11 CO -0.01 -0.20 0.94 0.45 0.02 0.00 0.00 175.26 176.46 2eef s SER 12 N -2.01 4.58 0.40 -0.19 0.15 -1.26 -4.91 113.70 110.46 2eef s SER 12 Ca 0.63 -0.33 0.07 0.00 0.70 0.00 0.00 55.95 57.02 2eef s SER 12 Cb -0.14 -0.15 -0.06 0.00 -1.71 0.00 0.00 66.02 63.96 2eef s SER 12 CO 0.18 -1.69 0.10 -0.36 1.20 0.00 0.00 173.24 172.67 2eef s PHE 13 N -3.04 2.57 0.24 3.44 0.40 -1.26 -1.41 117.98 118.92 2eef s PHE 13 Ca 0.64 -0.60 0.01 0.00 -0.60 0.00 0.00 56.93 56.38 2eef s PHE 13 Cb -0.06 -1.84 -0.05 0.00 0.51 0.00 0.00 43.02 41.57 2eef s PHE 13 CO 0.43 0.31 0.09 0.14 0.70 0.00 0.00 175.22 176.89 2eef s VAL 14 N -2.63 0.49 -0.17 -0.44 -7.23 0.09 -4.53 120.40 105.98 2eef s VAL 14 Ca 0.38 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.45 2eef s VAL 14 Cb 0.06 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 2eef s VAL 14 CO 0.21 -0.04 0.18 -0.76 -0.31 0.00 0.00 175.10 174.37 2eef s LEU 15 N -3.28 4.27 -0.22 1.32 1.43 -1.26 -2.37 118.68 118.56 2eef s LEU 15 Ca 0.37 0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.85 2eef s LEU 15 Cb 0.08 -2.16 0.30 0.00 0.03 0.00 0.00 46.19 44.43 2eef s LEU 15 CO 0.13 0.22 1.48 -0.67 0.23 0.00 0.00 176.35 177.74 2eef n ASP 16 N 3.11 3.65 -3.82 2.29 2.03 -1.20 -4.84 116.55 117.77 2eef n ASP 16 Ca -0.16 -2.78 -0.12 0.00 0.52 0.00 0.00 54.79 52.25 2eef n ASP 16 Cb 0.53 -0.70 -0.09 0.00 -0.72 0.00 0.00 41.12 40.14 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 -1.56 -0.06 0.35 -0.67 -0.12 -1.26 -4.96 117.98 109.69 2eef s PHE 17 Ca 0.27 0.05 -0.25 0.00 -0.05 0.00 0.00 56.93 56.96 2eef s PHE 17 Cb 0.22 0.02 -0.10 0.00 -0.63 0.00 0.00 43.02 42.54 2eef s PHE 17 CO 0.05 -0.34 0.95 -1.12 -0.05 0.00 0.00 175.22 174.71 2eef s SER 18 N -1.37 7.22 0.23 1.98 0.01 -1.26 -4.98 113.70 115.53 2eef s SER 18 Ca -0.14 1.81 -0.31 0.00 1.31 0.00 0.00 55.95 58.62 2eef s SER 18 Cb -0.06 -2.57 -0.13 0.00 0.21 0.00 0.00 66.02 63.46 2eef s SER 18 CO 0.03 -0.15 1.44 0.00 0.41 0.00 0.00 173.24 174.97 2eef n GLN 19 N 0.25 2.10 -0.11 12.44 1.13 -1.26 -4.91 117.38 127.03 2eef n GLN 19 Ca 0.03 0.75 -0.13 0.00 -1.94 0.00 0.00 57.00 55.71 2eef n GLN 19 Cb 0.51 -2.43 -0.03 0.00 0.11 0.00 0.00 30.24 28.40 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 4.45 0.84 -0.21 -1.09 0.13 -1.81 -2.99 132.00 131.33 2eef h PRO 20 Ca -0.45 -0.44 0.06 0.00 -0.87 0.00 0.00 66.00 64.30 2eef h PRO 20 Cb 1.27 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2eef h PRO 20 CO 0.77 1.08 0.22 1.03 -0.23 0.00 0.00 178.00 180.87 2eef h SER 21 N 0.63 0.00 -0.90 1.44 0.87 -1.77 -2.72 113.55 111.11 2eef h SER 21 Ca 0.06 0.00 0.34 0.00 -1.23 0.00 0.00 61.79 60.96 2eef h SER 21 Cb 0.92 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.76 2eef h SER 21 CO 0.08 0.00 0.54 0.00 -0.53 0.00 0.00 176.83 176.92 2eef n ALA 22 N -2.36 0.90 -3.96 6.23 0.00 -1.13 -2.61 120.51 117.59 2eef n ALA 22 Ca 0.02 0.72 -0.31 0.00 0.00 0.00 0.00 53.44 53.87 2eef n ALA 22 Cb 0.35 -0.79 -0.14 0.00 0.00 0.00 0.00 19.45 18.87 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 -4.50 4.60 0.21 0.00 1.01 -1.03 -4.97 116.67 111.99 2eef s ASP 23 Ca -0.06 -2.61 -0.10 0.00 0.71 0.00 0.00 52.55 50.48 2eef s ASP 23 Cb 0.25 -1.66 0.30 0.00 1.01 0.00 0.00 42.92 42.81 2eef s ASP 23 CO 0.61 -0.31 1.69 0.22 0.21 0.00 0.00 175.17 177.58 2eef h TYR 24 N 7.05 0.11 0.06 4.23 5.03 -1.77 0.49 116.97 132.18 2eef h TYR 24 Ca -0.06 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.28 2eef h TYR 24 Cb 0.95 0.04 0.00 0.00 1.55 0.00 0.00 36.73 39.28 2eef h TYR 24 CO 0.51 -0.09 -0.03 -0.07 -1.32 0.00 0.00 178.16 177.16 2eef h LEU 25 N 0.20 -0.07 -1.42 2.82 -0.00 -1.93 0.59 115.31 115.50 2eef h LEU 25 Ca 0.32 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 58.28 2eef h LEU 25 Cb 0.49 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 2eef h LEU 25 CO -0.45 -0.04 0.64 -0.78 -0.00 0.00 0.00 178.44 177.82 2eef h ASP 26 N -0.12 0.00 0.00 -0.43 1.82 -1.94 -0.90 116.42 114.85 2eef h ASP 26 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2eef h ASP 26 Cb 0.07 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.08 2eef h ASP 26 CO 0.01 0.00 -0.06 0.15 -1.61 0.00 0.00 179.24 177.73 2eef h PHE 27 N 0.00 0.00 -1.01 0.28 3.04 0.11 -3.33 116.94 116.02 2eef h PHE 27 Ca 0.13 0.00 0.25 0.00 3.98 0.00 0.00 57.97 62.33 2eef h PHE 27 Cb 1.41 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 39.84 2eef h PHE 27 CO 0.00 0.00 0.66 0.07 -2.02 0.00 0.00 178.31 177.02 2eef h ARG 28 N -0.83 0.36 -0.89 1.11 0.11 0.18 0.27 114.38 114.68 2eef h ARG 28 Ca 0.00 -0.02 0.12 0.00 0.10 0.00 0.00 59.98 60.17 2eef h ARG 28 Cb 0.06 -0.08 -0.07 0.00 1.11 0.00 0.00 29.97 30.99 2eef h ARG 28 CO 0.00 0.24 0.57 -0.91 0.10 0.00 0.00 179.97 179.97 2eef h ASN 29 N 0.37 0.75 0.39 0.08 2.35 -1.34 0.08 115.58 118.26 2eef h ASN 29 Ca 0.56 0.03 -0.31 0.00 -0.55 0.00 0.00 56.30 56.03 2eef h ASN 29 Cb 1.47 -0.12 0.02 0.00 0.05 0.00 0.00 38.32 39.74 2eef h ASN 29 CO -0.24 0.41 -1.35 0.03 -1.65 0.00 0.00 177.43 174.63 2eef h ARG 30 N 0.81 0.45 0.00 0.81 2.47 -0.60 -2.85 114.38 115.47 2eef h ARG 30 Ca 0.43 -0.73 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 2eef h ARG 30 Cb 0.53 0.27 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 2eef h ARG 30 CO -0.19 1.34 0.00 1.25 0.56 0.00 0.00 179.97 182.93 2eef h LEU 31 N 0.14 0.00 0.00 3.04 5.85 -0.66 0.37 115.31 124.05 2eef h LEU 31 Ca -0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2eef h LEU 31 Cb 2.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.08 2eef h LEU 31 CO 0.24 0.00 -1.43 1.67 -0.34 0.00 0.00 178.44 178.59 2eef n GLN 32 N -2.96 0.55 -0.07 1.25 7.27 -0.07 -1.50 117.38 121.84 2eef n GLN 32 Ca -0.01 -0.04 -0.08 0.00 0.07 0.00 0.00 57.00 56.94 2eef n GLN 32 Cb 0.21 -1.64 -0.15 0.00 2.41 0.00 0.00 30.24 31.06 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 -2.12 1.58 0.27 1.69 0.00 -0.73 -4.44 120.51 116.76 2eef n ALA 33 Ca -0.01 -1.13 0.05 0.00 0.00 0.00 0.00 53.44 52.35 2eef n ALA 33 Cb 0.53 -0.41 -0.07 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.81 1.39 -1.48 0.00 2.03 0.12 -4.99 116.55 110.81 2eef n ASP 34 Ca -0.27 -0.42 -0.15 0.00 0.52 0.00 0.00 54.79 54.47 2eef n ASP 34 Cb 1.09 1.22 -0.03 0.00 -0.72 0.00 0.00 41.12 42.68 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 -1.53 -0.39 -3.63 -0.67 8.25 -0.56 -4.85 115.22 111.84 2eef n HIS 35 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.40 2eef n HIS 35 Cb 0.22 -2.95 -0.06 0.00 1.12 0.00 0.00 29.99 28.31 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 -2.67 0.00 -0.26 1.59 0.11 -1.22 -3.22 120.40 114.73 2eef s VAL 36 Ca 0.00 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 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 1.25 0.00 -3.33 0.00 0.00 175.10 173.02 2eef s LEU 38 N -0.50 4.30 0.00 0.00 2.96 -1.26 -0.43 118.68 123.75 2eef s LEU 38 Ca 0.05 1.35 0.00 0.00 -0.22 0.00 0.00 54.13 55.31 2eef s LEU 38 Cb -0.03 -3.30 0.00 0.00 0.50 0.00 0.00 46.19 43.36 2eef s LEU 38 CO -0.08 -0.25 0.00 1.21 -1.32 0.00 0.00 176.35 175.91 2eef n GLU 39 N 4.23 0.00 -5.01 1.98 2.13 -0.61 -4.46 120.64 118.91 2eef n GLU 39 Ca 0.03 0.22 -0.27 0.00 0.66 0.00 0.00 57.16 57.79 2eef n GLU 39 Cb 0.50 -0.68 -0.16 0.00 0.27 0.00 0.00 31.44 31.38 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 -2.10 2.46 -0.14 4.31 4.22 -1.23 -3.28 114.94 119.17 2eef s ASN 40 Ca 0.00 -0.39 -0.03 0.00 -2.14 0.00 0.00 52.86 50.30 2eef s ASN 40 Cb 0.00 -0.43 0.05 0.00 1.28 0.00 0.00 41.25 42.15 2eef s ASN 40 CO 0.00 0.23 0.06 0.00 -2.04 0.00 0.00 177.10 175.35 2eef s VAL 42 N 2.05 3.12 0.01 0.00 -7.23 0.34 -4.99 120.40 113.71 2eef s VAL 42 Ca 0.02 -1.43 0.07 0.00 -1.81 0.00 0.00 61.98 58.83 2eef s VAL 42 Cb -0.15 -3.08 -0.02 0.00 0.56 0.00 0.00 36.38 33.68 2eef s VAL 42 CO -0.07 -0.11 -0.22 -0.22 -0.31 0.00 0.00 175.10 174.17 2eef s LEU 43 N -4.01 2.10 0.00 1.32 0.20 -1.26 -2.24 118.68 114.80 2eef s LEU 43 Ca 0.43 -0.46 0.03 0.00 0.69 0.00 0.00 54.13 54.82 2eef s LEU 43 Cb -0.04 -1.07 -0.01 0.00 -0.43 0.00 0.00 46.19 44.64 2eef s LEU 43 CO 0.26 0.22 0.13 0.29 -0.29 0.00 0.00 176.35 176.96 2eef n LYS 44 N 2.21 0.60 -1.57 1.98 4.01 0.89 -4.99 118.16 121.29 2eef n LYS 44 Ca -0.16 -2.48 -0.46 0.00 -0.51 0.00 0.00 58.31 54.70 2eef n LYS 44 Cb 0.53 1.49 -0.05 0.00 -0.51 0.00 0.00 35.03 36.49 2eef n LYS 44 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2eef n ASP 45 N -1.75 3.03 -4.50 4.39 5.68 -1.26 -2.12 116.55 120.02 2eef n ASP 45 Ca -0.02 0.46 -0.42 0.00 -0.50 0.00 0.00 54.79 54.31 2eef n ASP 45 Cb 0.44 -1.43 -0.07 0.00 -1.14 0.00 0.00 41.12 38.92 2eef n ASP 45 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2eef n LYS 46 N 8.11 -1.11 -3.56 0.11 4.76 -1.26 -4.86 118.16 120.35 2eef n LYS 46 Ca 0.31 0.18 -0.09 0.00 -2.87 0.00 0.00 58.31 55.84 2eef n LYS 46 Cb 0.35 -4.77 -0.02 0.00 -1.84 0.00 0.00 35.03 28.75 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 -3.27 -1.62 0.08 7.82 0.00 -0.90 -1.27 121.76 122.61 2eef s ALA 47 Ca 0.81 0.47 -0.02 0.00 0.00 0.00 0.00 51.96 53.23 2eef s ALA 47 Cb -0.47 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 2eef s ALA 47 CO 1.01 -0.83 0.03 0.96 0.00 0.00 0.00 175.76 176.93 2eef s ILE 48 N -3.51 0.17 -0.22 0.00 -4.36 0.03 -0.08 121.20 113.24 2eef s ILE 48 Ca 0.05 -1.78 -0.17 0.00 -0.26 0.00 0.00 60.65 58.49 2eef s ILE 48 Cb -0.02 -1.69 0.06 0.00 1.25 0.00 0.00 42.46 42.06 2eef s ILE 48 CO -0.06 -0.77 0.56 0.00 0.24 0.00 0.00 174.94 174.91 2eef s ALA 49 N -3.96 -1.44 -0.01 2.27 0.00 -0.95 -2.62 121.76 115.06 2eef s ALA 49 Ca 0.13 1.77 -0.29 0.00 0.00 0.00 0.00 51.96 53.57 2eef s ALA 49 Cb 0.07 -1.04 0.08 0.00 0.00 0.00 0.00 23.12 22.24 2eef s ALA 49 CO -0.06 -0.29 0.74 0.20 0.00 0.00 0.00 175.76 176.35 2eef s GLY 50 N 0.80 -0.53 -0.19 0.00 0.00 -0.93 -0.50 107.32 105.97 2eef s GLY 50 Ca -0.04 1.20 -0.03 0.00 0.00 0.00 0.00 44.72 45.85 2eef s GLY 50 CO -0.06 0.71 -0.05 -0.51 0.00 0.00 0.00 173.10 173.18 2eef s THR 51 N -2.02 3.44 -0.06 0.90 -4.23 -0.63 -1.15 115.64 111.89 2eef s THR 51 Ca -0.05 -0.49 -0.03 0.00 -1.18 0.00 0.00 61.69 59.94 2eef s THR 51 Cb -0.00 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 2eef s THR 51 CO 0.01 0.45 0.09 -0.69 -0.54 0.00 0.00 174.62 173.94 2eef s VAL 52 N 1.07 4.94 0.15 2.29 1.01 0.17 -1.57 120.40 128.46 2eef s VAL 52 Ca 0.01 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.85 2eef s VAL 52 Cb -0.15 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2eef s VAL 52 CO -0.00 0.49 0.29 -0.54 0.00 0.00 0.00 175.10 175.34 2eef s LYS 53 N -1.36 3.45 0.04 2.72 -0.14 0.43 -2.42 119.74 122.46 2eef s LYS 53 Ca 0.19 -0.56 -0.14 0.00 -1.36 0.00 0.00 55.97 54.10 2eef s LYS 53 Cb -0.12 -2.95 0.02 0.00 -1.68 0.00 0.00 37.83 33.10 2eef s LYS 53 CO 0.09 0.51 0.32 0.14 -0.76 0.00 0.00 175.35 175.65 2eef s VAL 54 N -1.75 0.08 0.38 3.17 -7.23 -1.25 -2.43 120.40 111.37 2eef s VAL 54 Ca 0.35 -0.64 -0.12 0.00 -1.81 0.00 0.00 61.98 59.76 2eef s VAL 54 Cb -0.11 -0.92 -0.07 0.00 0.56 0.00 0.00 36.38 35.84 2eef s VAL 54 CO 0.29 -0.35 0.75 -1.10 -0.31 0.00 0.00 175.10 174.37 2eef s GLN 55 N -2.47 3.84 -0.70 4.82 -0.21 -1.20 -4.26 119.66 119.49 2eef s GLN 55 Ca -0.06 0.51 -0.03 0.00 0.02 0.00 0.00 55.36 55.80 2eef s GLN 55 Cb -0.01 -2.41 0.15 0.00 1.00 0.00 0.00 33.01 31.73 2eef s GLN 55 CO -0.03 0.03 2.50 0.27 -2.12 0.00 0.00 175.29 175.94 2eef n ASN 56 N -1.00 6.98 0.17 5.90 0.23 -1.26 -4.66 115.26 121.63 2eef n ASN 56 Ca 0.03 -3.36 -0.14 0.00 -0.53 0.00 0.00 54.58 50.58 2eef n ASN 56 Cb 0.54 -1.21 -0.08 0.00 -2.08 0.00 0.00 39.78 36.94 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 3.98 -0.37 -9.87 -4.53 3.38 -1.96 -3.45 115.31 102.50 2eef h LEU 57 Ca 0.49 -0.15 -0.53 0.00 0.09 0.00 0.00 57.88 57.78 2eef h LEU 57 Cb 0.48 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 2eef h LEU 57 CO 1.10 -0.04 -0.52 0.00 0.09 0.00 0.00 178.44 179.08 2eef s ALA 58 N -5.00 3.59 0.05 1.53 0.00 -1.26 -5.05 121.76 115.61 2eef s ALA 58 Ca -0.14 -1.74 -0.29 0.00 0.00 0.00 0.00 51.96 49.78 2eef s ALA 58 Cb 0.02 -0.90 -0.17 0.00 0.00 0.00 0.00 23.12 22.07 2eef s ALA 58 CO 0.56 0.05 1.47 0.35 0.00 0.00 0.00 175.76 178.19 2eef h PHE 59 N 1.47 -0.63 -3.51 0.00 3.04 -1.99 -3.43 116.94 111.89 2eef h PHE 59 Ca -0.44 -0.01 -0.52 0.00 3.98 0.00 0.00 57.97 60.97 2eef h PHE 59 Cb 1.25 0.21 -0.02 0.00 2.56 0.00 0.00 35.95 39.95 2eef h PHE 59 CO 0.60 -0.33 -0.04 -1.21 -2.02 0.00 0.00 178.31 175.30 2eef s GLU 60 N -5.52 3.83 0.06 1.11 0.41 -1.26 -5.10 118.70 112.22 2eef s GLU 60 Ca -0.16 0.36 0.02 0.00 -0.41 0.00 0.00 54.97 54.79 2eef s GLU 60 Cb 0.03 -2.56 -0.03 0.00 -1.78 0.00 0.00 34.13 29.79 2eef s GLU 60 CO 0.58 0.22 -0.08 0.15 -0.49 0.00 0.00 175.26 175.65 2eef s LYS 61 N -3.07 0.62 -0.33 1.61 1.02 -1.26 -4.81 119.74 113.53 2eef s LYS 61 Ca 0.49 -0.93 -0.01 0.00 0.02 0.00 0.00 55.97 55.54 2eef s LYS 61 Cb -0.11 -0.28 0.11 0.00 -0.52 0.00 0.00 37.83 37.03 2eef s LYS 61 CO 0.22 0.03 0.14 0.99 -0.92 0.00 0.00 175.35 175.82 2eef s THR 62 N -2.03 0.59 -0.23 2.17 2.01 -1.09 -5.02 115.64 112.04 2eef s THR 62 Ca -0.03 -1.41 -0.06 0.00 0.31 0.00 0.00 61.69 60.49 2eef s THR 62 Cb -0.06 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 2eef s THR 62 CO -0.01 -0.76 0.04 -0.69 -0.69 0.00 0.00 174.62 172.51 2eef s VAL 63 N 1.52 4.18 -0.06 3.82 1.01 -1.26 -1.26 120.40 128.35 2eef s VAL 63 Ca 0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 2eef s VAL 63 Cb -0.19 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.29 2eef s VAL 63 CO -0.22 0.38 0.14 -0.54 0.00 0.00 0.00 175.10 174.86 2eef s LYS 64 N 1.35 0.14 -0.29 2.72 1.02 -0.71 -2.57 119.74 121.39 2eef s LYS 64 Ca 0.05 0.26 -0.11 0.00 0.02 0.00 0.00 55.97 56.19 2eef s LYS 64 Cb -0.15 -0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.11 2eef s LYS 64 CO 0.02 -0.07 0.19 0.42 -0.92 0.00 0.00 175.35 174.99 2eef s ILE 65 N 0.47 5.19 -0.31 2.17 -1.09 -0.55 -1.47 121.20 125.61 2eef s ILE 65 Ca -0.03 0.05 -0.06 0.00 -2.23 0.00 0.00 60.65 58.38 2eef s ILE 65 Cb -0.05 -3.51 0.02 0.00 -1.58 0.00 0.00 42.46 37.35 2eef s ILE 65 CO -0.02 0.21 0.07 -0.13 -1.23 0.00 0.00 174.94 173.84 2eef s ARG 66 N 1.73 2.85 -0.01 2.79 0.52 -1.20 -1.87 118.95 123.76 2eef s ARG 66 Ca 0.07 -1.02 0.07 0.00 -0.52 0.00 0.00 55.73 54.33 2eef s ARG 66 Cb -0.16 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 31.92 2eef s ARG 66 CO 0.10 -0.54 -0.24 1.41 0.02 0.00 0.00 175.30 176.06 2eef s MET 67 N 1.43 1.87 0.35 3.54 -2.45 -1.25 -2.25 119.30 120.53 2eef s MET 67 Ca 0.00 -0.87 0.08 0.00 -1.25 0.00 0.00 55.69 53.66 2eef s MET 67 Cb -0.18 -1.83 -0.04 0.00 1.25 0.00 0.00 34.83 34.02 2eef s MET 67 CO 0.02 0.50 0.16 -0.08 1.05 0.00 0.00 175.02 176.67 2eef s THR 68 N -0.59 2.98 0.00 10.11 -1.32 -0.68 -3.38 115.64 122.76 2eef s THR 68 Ca 0.09 -1.67 0.00 0.00 -1.21 0.00 0.00 61.69 58.90 2eef s THR 68 Cb -0.09 -2.99 0.00 0.00 -1.51 0.00 0.00 72.50 67.91 2eef s THR 68 CO -0.00 -0.16 0.57 0.49 -2.21 0.00 0.00 174.62 173.30 2eef n PHE 69 N -1.18 0.00 -3.31 9.09 3.72 -1.21 -3.36 117.46 121.21 2eef n PHE 69 Ca -0.03 -0.13 -0.25 0.00 -0.05 0.00 0.00 57.45 56.99 2eef n PHE 69 Cb 0.61 -0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 39.06 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 -0.13 0.90 -3.66 4.37 8.00 -1.24 -4.48 116.55 120.32 2eef n ASP 70 Ca 0.00 -2.81 -0.25 0.00 0.71 0.00 0.00 54.79 52.45 2eef n ASP 70 Cb 0.39 -0.64 -0.06 0.00 -0.02 0.00 0.00 41.12 40.79 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 1.60 -0.37 -3.15 -3.53 -1.04 -1.21 0.18 114.28 106.77 2eef n THR 71 Ca 0.24 -0.18 -0.14 0.00 -2.04 0.00 0.00 64.05 61.93 2eef n THR 71 Cb 0.49 -0.52 0.07 0.00 -1.82 0.00 0.00 70.33 68.55 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 -3.20 -1.77 -0.01 -1.42 7.02 -1.26 -4.94 117.44 111.86 2eef n TRP 72 Ca -0.08 0.75 -0.01 0.00 -1.02 0.00 0.00 57.50 57.15 2eef n TRP 72 Cb 0.40 -4.47 -0.01 0.00 -2.42 0.00 0.00 31.31 24.81 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 -3.53 3.05 -3.60 -0.99 5.02 0.47 -5.02 118.16 113.56 2eef n LYS 73 Ca -0.22 -0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.01 2eef n LYS 73 Cb 0.63 -1.05 -0.07 0.00 -0.02 0.00 0.00 35.03 34.53 2eef n LYS 73 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2eef s SER 74 N -3.04 -0.63 0.34 4.39 0.01 -1.26 -5.02 113.70 108.49 2eef s SER 74 Ca -0.01 1.14 0.05 0.00 1.31 0.00 0.00 55.95 58.45 2eef s SER 74 Cb 0.01 1.74 -0.03 0.00 0.21 0.00 0.00 66.02 67.95 2eef s SER 74 CO 0.08 -0.23 0.22 -0.72 0.41 0.00 0.00 173.24 172.99 2eef s TYR 75 N 2.73 1.70 -0.01 2.43 -0.85 -1.26 -3.28 117.35 118.80 2eef s TYR 75 Ca -0.01 -1.52 0.01 0.00 -0.52 0.00 0.00 57.07 55.03 2eef s TYR 75 Cb -0.12 -0.82 0.01 0.00 0.38 0.00 0.00 41.96 41.40 2eef s TYR 75 CO -0.16 -0.68 -0.01 0.99 -1.52 0.00 0.00 175.55 174.17 2eef s THR 76 N -3.47 0.15 -0.34 -3.49 2.01 -1.22 -5.02 115.64 104.27 2eef s THR 76 Ca 0.36 -0.01 -0.29 0.00 0.31 0.00 0.00 61.69 62.06 2eef s THR 76 Cb 0.03 -0.18 0.02 0.00 0.01 0.00 0.00 72.50 72.38 2eef s THR 76 CO 0.22 0.08 1.09 1.51 -0.69 0.00 0.00 174.62 176.84 2eef s ASP 77 N 0.37 6.89 -0.26 3.53 -4.77 -1.26 -3.93 116.67 117.23 2eef s ASP 77 Ca -0.03 0.99 -0.09 0.00 -3.30 0.00 0.00 52.55 50.12 2eef s ASP 77 Cb -0.06 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.19 2eef s ASP 77 CO -0.01 -0.93 0.12 -0.36 0.70 0.00 0.00 175.17 174.69 2eef s PHE 78 N 3.78 3.14 0.31 2.11 0.08 -0.78 -4.98 117.98 121.64 2eef s PHE 78 Ca 0.46 -0.19 -0.29 0.00 0.12 0.00 0.00 56.93 57.03 2eef s PHE 78 Cb -0.12 -2.30 -0.10 0.00 -0.57 0.00 0.00 43.02 39.93 2eef s PHE 78 CO 0.18 -0.27 1.23 -1.25 -0.10 0.00 0.00 175.22 175.00 2eef s PRO 79 N 1.68 4.46 0.14 0.24 0.04 -1.26 -1.48 135.00 138.82 2eef s PRO 79 Ca 0.07 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.20 2eef s PRO 79 Cb -0.15 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 2eef s PRO 79 CO 0.07 -0.04 0.25 0.00 0.04 0.00 0.00 177.00 177.32 2eef s GLN 81 N -3.16 2.59 -0.23 0.00 -2.07 -1.07 -4.92 119.66 110.80 2eef s GLN 81 Ca 0.34 -1.48 -0.07 0.00 -1.82 0.00 0.00 55.36 52.33 2eef s GLN 81 Cb -0.11 -2.42 -0.03 0.00 -1.09 0.00 0.00 33.01 29.36 2eef s GLN 81 CO 0.28 -0.16 0.05 -0.47 -1.32 0.00 0.00 175.29 173.67 2eef s TYR 82 N -2.44 3.09 -0.67 9.60 5.04 -1.26 -2.29 117.35 128.42 2eef s TYR 82 Ca 0.48 -0.37 -0.26 0.00 -2.44 0.00 0.00 57.07 54.48 2eef s TYR 82 Cb -0.04 -2.18 0.04 0.00 0.35 0.00 0.00 41.96 40.14 2eef s TYR 82 CO 0.28 -0.27 1.13 0.08 -1.34 0.00 0.00 175.55 175.44 2eef s VAL 83 N 1.30 4.02 -0.82 3.14 1.01 -0.63 -4.96 120.40 123.45 2eef s VAL 83 Ca 0.05 0.24 -0.18 0.00 0.00 0.00 0.00 61.98 62.09 2eef s VAL 83 Cb -0.15 -4.78 0.15 0.00 0.00 0.00 0.00 36.38 31.60 2eef s VAL 83 CO 0.03 -1.58 0.93 -0.75 0.00 0.00 0.00 175.10 173.72 2eef s LYS 84 N 4.93 3.46 0.16 2.72 2.20 -1.26 -4.68 119.74 127.26 2eef s LYS 84 Ca 0.32 -1.84 -0.13 0.00 -0.36 0.00 0.00 55.97 53.96 2eef s LYS 84 Cb -0.11 -4.61 0.01 0.00 -1.51 0.00 0.00 37.83 31.61 2eef s LYS 84 CO 0.16 -1.58 0.36 0.34 -0.36 0.00 0.00 175.35 174.26 2eef s ASP 85 N 3.20 -0.08 0.44 1.43 -1.08 -1.26 -5.01 116.67 114.30 2eef s ASP 85 Ca 0.23 -0.63 0.16 0.00 -0.52 0.00 0.00 52.55 51.79 2eef s ASP 85 Cb -0.11 0.47 1.00 0.00 -1.46 0.00 0.00 42.92 42.82 2eef s ASP 85 CO -0.05 -0.91 1.96 0.00 0.52 0.00 0.00 175.17 176.69 2eef h THR 86 N 2.44 1.08 0.14 1.71 1.03 -1.97 -3.03 112.91 114.32 2eef h THR 86 Ca -0.31 -0.77 -0.30 0.00 -0.01 0.00 0.00 66.41 65.02 2eef h THR 86 Cb 1.24 1.42 0.00 0.00 -1.07 0.00 0.00 68.15 69.74 2eef h THR 86 CO 0.46 0.21 -1.51 1.88 -0.01 0.00 0.00 175.52 176.56 2eef h TYR 87 N 0.00 0.53 -0.66 0.00 0.05 -1.97 -3.41 116.97 111.51 2eef h TYR 87 Ca -0.00 -0.38 -0.49 0.00 0.05 0.00 0.00 58.73 57.90 2eef h TYR 87 Cb 0.41 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.08 2eef h TYR 87 CO 0.00 1.59 1.70 0.00 -1.05 0.00 0.00 178.16 180.40 2eef n ALA 88 N -2.93 0.50 -3.07 3.88 0.00 -1.15 -3.52 120.51 114.23 2eef n ALA 88 Ca -0.25 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2eef n ALA 88 Cb 0.95 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 6.31 0.00 0.33 0.00 0.00 -1.26 -4.68 105.19 105.89 2eef n GLY 89 Ca 0.54 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.75 2eef n GLY 89 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2eef h SER 90 N 3.80 -0.12 0.00 1.61 4.64 -1.79 -3.35 113.55 118.33 2eef h SER 90 Ca 0.00 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2eef h SER 90 Cb 0.77 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2eef h SER 90 CO 0.00 -0.32 0.00 0.47 -0.87 0.00 0.00 176.83 176.11 2eef n ASP 91 N -5.35 0.00 -4.64 4.97 8.00 -1.26 -5.05 116.55 113.22 2eef n ASP 91 Ca 0.27 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.39 2eef n ASP 91 Cb 0.88 -0.10 0.06 0.00 -0.02 0.00 0.00 41.12 41.94 2eef n ASP 91 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2eef n ARG 92 N -2.05 0.92 -2.45 -1.24 5.12 -1.26 -4.95 116.66 110.75 2eef n ARG 92 Ca 0.00 0.36 -0.36 0.00 -1.93 0.00 0.00 57.85 55.92 2eef n ARG 92 Cb 0.00 -2.27 -0.03 0.00 -1.16 0.00 0.00 32.46 29.01 2eef n ARG 92 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2eef s ASP 93 N -1.32 6.43 -0.13 0.55 1.01 -1.26 -4.27 116.67 117.69 2eef s ASP 93 Ca 0.78 2.09 -0.00 0.00 0.71 0.00 0.00 52.55 56.14 2eef s ASP 93 Cb -0.40 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 40.97 2eef s ASP 93 CO 0.45 -0.72 -0.10 -0.89 0.21 0.00 0.00 175.17 174.12 2eef s THR 94 N -1.71 1.23 -0.10 -1.27 2.01 -1.26 -3.83 115.64 110.72 2eef s THR 94 Ca 0.62 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 62.20 2eef s THR 94 Cb -0.23 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 2eef s THR 94 CO 0.28 0.40 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.18 2eef s PHE 95 N 1.63 2.96 0.17 4.92 0.08 -1.02 -1.60 117.98 125.12 2eef s PHE 95 Ca 0.05 -0.11 0.05 0.00 0.12 0.00 0.00 56.93 57.04 2eef s PHE 95 Cb -0.13 -1.79 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 2eef s PHE 95 CO -0.09 0.20 0.15 0.45 -0.10 0.00 0.00 175.22 175.82 2eef s SER 96 N -0.41 5.56 -0.02 1.36 0.15 -0.97 -0.66 113.70 118.71 2eef s SER 96 Ca 0.06 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2eef s SER 96 Cb -0.12 -1.46 0.02 0.00 -1.71 0.00 0.00 66.02 62.75 2eef s SER 96 CO 0.02 0.06 0.01 0.72 1.20 0.00 0.00 173.24 175.26 2eef s PHE 97 N -1.77 0.15 -0.30 3.44 -0.12 -0.30 -2.60 117.98 116.47 2eef s PHE 97 Ca 0.31 0.06 0.01 0.00 -0.05 0.00 0.00 56.93 57.25 2eef s PHE 97 Cb -0.10 -0.27 0.09 0.00 -0.63 0.00 0.00 43.02 42.11 2eef s PHE 97 CO 0.24 -0.09 0.06 0.16 -0.05 0.00 0.00 175.22 175.54 2eef s ASP 98 N 0.85 4.15 -0.01 1.98 -4.77 -1.26 -2.18 116.67 115.42 2eef s ASP 98 Ca -0.08 -1.66 -0.01 0.00 -3.30 0.00 0.00 52.55 47.50 2eef s ASP 98 Cb -0.11 -1.11 -0.04 0.00 -1.09 0.00 0.00 42.92 40.58 2eef s ASP 98 CO -0.02 -0.37 0.07 -0.63 0.70 0.00 0.00 175.17 174.91 2eef s ILE 99 N 1.40 4.65 -0.36 2.11 1.01 -1.08 -4.96 121.20 123.97 2eef s ILE 99 Ca 0.07 -0.40 -0.13 0.00 0.00 0.00 0.00 60.65 60.19 2eef s ILE 99 Cb -0.18 -3.10 -0.00 0.00 0.01 0.00 0.00 42.46 39.19 2eef s ILE 99 CO -0.17 0.38 0.25 -0.94 0.00 0.00 0.00 174.94 174.47 2eef s SER 100 N -1.62 6.01 0.74 3.58 1.04 -1.26 -0.79 113.70 121.40 2eef s SER 100 Ca 0.21 -0.63 -0.15 0.00 0.48 0.00 0.00 55.95 55.86 2eef s SER 100 Cb -0.12 -2.13 0.01 0.00 0.10 0.00 0.00 66.02 63.89 2eef s SER 100 CO 0.12 -0.31 0.94 0.18 0.98 0.00 0.00 173.24 175.15 2eef n LEU 101 N 5.11 3.26 -4.63 2.42 4.77 -0.39 -4.92 117.00 122.61 2eef n LEU 101 Ca -0.12 0.64 -0.29 0.00 -0.03 0.00 0.00 56.01 56.20 2eef n LEU 101 Cb 0.48 -1.40 0.21 0.00 -2.33 0.00 0.00 43.42 40.39 2eef n LEU 101 CO 0.38 -2.14 0.63 -2.16 -1.33 0.00 0.00 177.39 172.76 2eef s PRO 102 N -3.41 -0.50 0.16 3.23 0.04 -1.26 -4.80 135.00 128.47 2eef s PRO 102 Ca 0.72 0.20 -0.26 0.00 0.04 0.00 0.00 61.00 61.70 2eef s PRO 102 Cb -0.33 -1.66 0.03 0.00 0.04 0.00 0.00 34.50 32.58 2eef s PRO 102 CO 0.52 -3.28 1.57 1.05 0.04 0.00 0.00 177.00 176.90 2eef h GLU 103 N -2.28 -0.24 -3.70 4.56 4.11 -1.98 -3.44 114.58 111.61 2eef h GLU 103 Ca -0.50 0.02 -0.08 0.00 0.07 0.00 0.00 59.36 58.87 2eef h GLU 103 Cb 1.31 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 30.49 2eef h GLU 103 CO 0.46 -0.16 -0.27 -1.59 0.07 0.00 0.00 179.01 177.51 2eef s LYS 104 N -5.86 0.97 0.02 1.06 -2.85 -1.26 -5.09 119.74 106.72 2eef s LYS 104 Ca -0.14 -0.93 0.01 0.00 -1.00 0.00 0.00 55.97 53.91 2eef s LYS 104 Cb 0.13 0.39 -0.01 0.00 -2.06 0.00 0.00 37.83 36.27 2eef s LYS 104 CO 0.66 -0.34 -0.04 0.42 0.10 0.00 0.00 175.35 176.15 2eef s ILE 105 N -3.86 0.25 0.29 3.79 1.01 -1.26 -5.16 121.20 116.25 2eef s ILE 105 Ca 0.07 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 59.99 2eef s ILE 105 Cb 0.04 -0.31 0.00 0.00 0.01 0.00 0.00 42.46 42.20 2eef s ILE 105 CO -0.09 -0.25 0.50 -1.10 0.00 0.00 0.00 174.94 173.99 2eef s GLN 106 N -0.93 1.73 0.22 2.79 -1.52 -1.26 -5.05 119.66 115.63 2eef s GLN 106 Ca -0.08 -1.44 -0.09 0.00 -1.95 0.00 0.00 55.36 51.80 2eef s GLN 106 Cb -0.06 0.47 0.18 0.00 -0.22 0.00 0.00 33.01 33.38 2eef s GLN 106 CO -0.00 -0.73 1.89 1.03 -0.25 0.00 0.00 175.29 177.23 2eef h SER 107 N 2.19 0.96 -0.94 5.90 0.87 -2.01 -2.09 113.55 118.42 2eef h SER 107 Ca -0.28 -0.03 0.27 0.00 -1.23 0.00 0.00 61.79 60.52 2eef h SER 107 Cb 1.25 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.93 2eef h SER 107 CO 0.37 0.70 1.12 0.10 -0.53 0.00 0.00 176.83 178.60 2eef h TYR 108 N 1.12 0.00 -3.73 2.24 -0.00 -2.02 -3.35 116.97 111.23 2eef h TYR 108 Ca 0.30 0.00 -0.42 0.00 -0.00 0.00 0.00 58.73 58.61 2eef h TYR 108 Cb -0.11 0.00 -0.31 0.00 -0.00 0.00 0.00 36.73 36.31 2eef h TYR 108 CO -0.01 0.00 -0.78 -1.21 -0.00 0.00 0.00 178.16 176.16 2eef s GLU 109 N -4.45 0.93 0.11 0.10 0.41 -0.79 -4.99 118.70 110.02 2eef s GLU 109 Ca -0.03 -0.26 -0.14 0.00 -0.41 0.00 0.00 54.97 54.13 2eef s GLU 109 Cb 0.14 -0.87 -0.07 0.00 -1.78 0.00 0.00 34.13 31.55 2eef s GLU 109 CO 0.47 0.07 0.52 0.50 -0.49 0.00 0.00 175.26 176.32 2eef s ARG 110 N 0.34 3.98 -0.12 1.61 6.06 -1.26 -4.47 118.95 125.09 2eef s ARG 110 Ca -0.05 0.48 -0.01 0.00 -2.50 0.00 0.00 55.73 53.65 2eef s ARG 110 Cb -0.10 -3.02 0.03 0.00 0.06 0.00 0.00 34.95 31.92 2eef s ARG 110 CO 0.01 0.54 -0.07 1.41 -2.50 0.00 0.00 175.30 174.69 2eef s MET 111 N -1.72 1.45 0.04 5.12 -2.45 -1.26 -3.28 119.30 117.20 2eef s MET 111 Ca 0.34 -0.28 -0.07 0.00 -1.25 0.00 0.00 55.69 54.43 2eef s MET 111 Cb -0.16 -1.63 -0.00 0.00 1.25 0.00 0.00 34.83 34.29 2eef s MET 111 CO 0.18 -0.30 0.14 -1.21 1.05 0.00 0.00 175.02 174.88 2eef s GLU 112 N 1.71 0.62 0.03 4.11 8.01 -1.21 -3.27 118.70 128.70 2eef s GLU 112 Ca 0.04 -0.68 0.02 0.00 0.01 0.00 0.00 54.97 54.36 2eef s GLU 112 Cb -0.13 0.25 -0.02 0.00 -4.31 0.00 0.00 34.13 29.92 2eef s GLU 112 CO -0.08 -0.16 -0.07 -0.59 0.01 0.00 0.00 175.26 174.37 2eef s PHE 113 N -2.48 0.61 -0.04 1.61 -0.12 -1.24 -1.69 117.98 114.63 2eef s PHE 113 Ca -0.06 -0.43 0.00 0.00 -0.05 0.00 0.00 56.93 56.40 2eef s PHE 113 Cb -0.02 -0.37 0.02 0.00 -0.63 0.00 0.00 43.02 42.03 2eef s PHE 113 CO -0.04 -0.08 -0.02 0.00 -0.05 0.00 0.00 175.22 175.04 2eef s ALA 114 N -1.15 0.52 0.17 1.99 0.00 -0.95 -3.90 121.76 118.42 2eef s ALA 114 Ca -0.08 0.04 -0.31 0.00 0.00 0.00 0.00 51.96 51.61 2eef s ALA 114 Cb -0.09 -0.41 -0.09 0.00 0.00 0.00 0.00 23.12 22.54 2eef s ALA 114 CO 0.00 -0.09 1.39 0.08 0.00 0.00 0.00 175.76 177.15 2eef s VAL 115 N 1.08 3.08 -0.32 0.00 1.01 -1.08 -3.24 120.40 120.93 2eef s VAL 115 Ca -0.09 0.83 0.02 0.00 0.00 0.00 0.00 61.98 62.74 2eef s VAL 115 Cb -0.14 -3.53 0.09 0.00 0.00 0.00 0.00 36.38 32.80 2eef s VAL 115 CO -0.01 0.09 0.02 -0.47 0.00 0.00 0.00 175.10 174.74 2eef s TYR 116 N 0.61 3.56 -0.35 5.22 5.04 -0.54 -2.28 117.35 128.62 2eef s TYR 116 Ca 0.62 -2.63 -0.05 0.00 -2.44 0.00 0.00 57.07 52.57 2eef s TYR 116 Cb -0.38 -2.63 0.06 0.00 0.35 0.00 0.00 41.96 39.36 2eef s TYR 116 CO 0.35 -0.92 0.10 -0.47 -1.34 0.00 0.00 175.55 173.27 2eef s TYR 117 N 1.02 3.32 -0.24 4.97 5.04 -1.07 -1.75 117.35 128.65 2eef s TYR 117 Ca 0.04 -1.75 -0.15 0.00 -2.44 0.00 0.00 57.07 52.76 2eef s TYR 117 Cb -0.20 -2.45 -0.04 0.00 0.35 0.00 0.00 41.96 39.62 2eef s TYR 117 CO -0.06 -0.81 0.38 -2.00 -1.34 0.00 0.00 175.55 171.72 2eef s GLU 118 N 1.31 4.10 -0.17 4.97 2.12 -0.39 -2.74 118.70 127.90 2eef s GLU 118 Ca -0.01 0.11 -0.15 0.00 0.36 0.00 0.00 54.97 55.28 2eef s GLU 118 Cb -0.20 -3.59 0.05 0.00 0.26 0.00 0.00 34.13 30.64 2eef s GLU 118 CO 0.00 -0.15 0.46 0.00 -0.54 0.00 0.00 175.26 175.03 2eef n ASN 120 N 2.98 -3.21 -2.74 0.00 3.02 -1.26 -1.23 115.26 112.83 2eef n ASN 120 Ca -0.14 -0.75 -0.20 0.00 -0.03 0.00 0.00 54.58 53.46 2eef n ASN 120 Cb 0.57 -4.24 0.01 0.00 -0.61 0.00 0.00 39.78 35.51 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 -1.63 -0.51 3.51 7.41 0.00 -1.26 -4.97 105.19 107.75 2eef n GLY 121 Ca -0.14 0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.39 1.77 -0.04 1.61 -0.21 -0.36 -5.15 119.66 111.89 2eef s GLN 122 Ca 0.15 -2.00 -0.02 0.00 0.02 0.00 0.00 55.36 53.52 2eef s GLN 122 Cb -0.07 -1.10 0.03 0.00 1.00 0.00 0.00 33.01 32.87 2eef s GLN 122 CO 0.19 -0.17 0.06 0.99 -2.12 0.00 0.00 175.29 174.24 2eef s THR 123 N -3.11 -0.11 -0.09 -0.19 2.01 -1.26 -2.67 115.64 110.22 2eef s THR 123 Ca 0.35 0.38 0.03 0.00 0.31 0.00 0.00 61.69 62.76 2eef s THR 123 Cb 0.09 -0.14 -0.01 0.00 0.01 0.00 0.00 72.50 72.44 2eef s THR 123 CO 0.16 0.16 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.74 2eef s TYR 124 N 1.96 2.62 -0.23 4.92 2.02 -1.11 -5.01 117.35 122.52 2eef s TYR 124 Ca 0.02 -0.74 -0.02 0.00 -0.37 0.00 0.00 57.07 55.96 2eef s TYR 124 Cb -0.12 -1.71 0.01 0.00 -0.40 0.00 0.00 41.96 39.74 2eef s TYR 124 CO -0.03 -0.23 -0.07 -1.58 -1.57 0.00 0.00 175.55 172.07 2eef s TRP 125 N 0.09 3.00 -0.47 2.71 0.52 -1.26 -2.60 118.94 120.93 2eef s TRP 125 Ca -0.09 -1.34 -0.07 0.00 0.02 0.00 0.00 56.10 54.62 2eef s TRP 125 Cb -0.15 -2.06 0.12 0.00 -1.15 0.00 0.00 33.47 30.22 2eef s TRP 125 CO 0.06 -0.67 0.32 0.34 0.02 0.00 0.00 176.95 177.01 2eef s ASP 126 N 1.38 5.58 -0.24 2.95 2.15 -0.97 -4.94 116.67 122.58 2eef s ASP 126 Ca 0.03 -2.01 -0.02 0.00 0.43 0.00 0.00 52.55 50.98 2eef s ASP 126 Cb -0.15 -1.96 0.07 0.00 -0.30 0.00 0.00 42.92 40.58 2eef s ASP 126 CO -0.05 -0.64 0.05 -0.94 -0.17 0.00 0.00 175.17 173.42 2eef s SER 127 N 2.34 3.34 0.00 -0.34 1.04 -1.26 -2.63 113.70 116.18 2eef s SER 127 Ca 0.07 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.40 2eef s SER 127 Cb -0.25 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.17 2eef s SER 127 CO -0.02 -0.34 0.00 0.59 0.98 0.00 0.00 173.24 174.45 2eef n ASN 128 N 4.97 -0.63 -2.79 7.02 3.02 -1.26 -1.17 115.26 124.42 2eef n ASN 128 Ca -0.07 0.32 -0.16 0.00 -0.03 0.00 0.00 54.58 54.64 2eef n ASN 128 Cb 0.45 -0.78 -0.03 0.00 -0.61 0.00 0.00 39.78 38.82 2eef n ASN 128 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2eef n ARG 129 N -1.87 -1.55 0.00 3.52 1.74 -1.26 -4.23 116.66 113.01 2eef n ARG 129 Ca 0.00 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2eef n ARG 129 Cb 0.32 -3.19 0.00 0.00 -1.02 0.00 0.00 32.46 28.56 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 -0.63 -1.00 0.00 -0.13 0.00 -0.32 -5.08 105.19 98.03 2eef n GLY 130 Ca 0.04 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -3.62 1.61 4.01 -1.26 -5.01 118.16 113.89 2eef n LYS 131 Ca 0.00 0.13 -0.04 0.00 -0.51 0.00 0.00 58.31 57.88 2eef n LYS 131 Cb 0.00 -0.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.98 2eef n LYS 131 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2eef s ASN 132 N -2.13 -0.12 -0.80 4.39 2.20 -1.26 -4.88 114.94 112.34 2eef s ASN 132 Ca 0.00 0.09 -0.25 0.00 -0.94 0.00 0.00 52.86 51.75 2eef s ASN 132 Cb 0.00 0.11 -0.08 0.00 -2.00 0.00 0.00 41.25 39.28 2eef s ASN 132 CO 0.00 -0.15 2.13 -0.31 -2.94 0.00 0.00 177.10 175.84 2eef s TYR 133 N -1.54 1.50 -0.26 1.54 2.02 -1.25 -4.68 117.35 114.67 2eef s TYR 133 Ca 0.07 1.20 -0.27 0.00 -0.37 0.00 0.00 57.07 57.70 2eef s TYR 133 Cb -0.01 -3.80 0.00 0.00 -0.40 0.00 0.00 41.96 37.75 2eef s TYR 133 CO -0.05 -1.81 0.93 0.50 -1.57 0.00 0.00 175.55 173.55 2eef s ARG 134 N 7.77 4.15 -0.38 -0.62 3.52 -1.26 -3.62 118.95 128.51 2eef s ARG 134 Ca 0.80 1.04 -0.10 0.00 -0.13 0.00 0.00 55.73 57.34 2eef s ARG 134 Cb -0.10 -3.67 0.04 0.00 -1.56 0.00 0.00 34.95 29.66 2eef s ARG 134 CO 0.07 -0.64 0.21 0.42 -0.81 0.00 0.00 175.30 174.54 2eef s ILE 135 N 3.11 4.37 0.40 4.11 1.01 -1.20 -3.21 121.20 129.79 2eef s ILE 135 Ca 0.39 -1.06 0.07 0.00 0.00 0.00 0.00 60.65 60.06 2eef s ILE 135 Cb -0.14 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.81 2eef s ILE 135 CO 0.09 -0.31 0.54 0.27 0.00 0.00 0.00 174.94 175.53 2eef s ILE 136 N 1.50 3.34 0.77 2.92 -4.36 -1.00 -4.82 121.20 119.55 2eef s ILE 136 Ca 0.02 -0.99 -0.11 0.00 -0.26 0.00 0.00 60.65 59.30 2eef s ILE 136 Cb -0.20 -3.13 0.06 0.00 1.25 0.00 0.00 42.46 40.43 2eef s ILE 136 CO 0.05 -0.05 1.10 -0.60 0.24 0.00 0.00 174.94 175.67 2eef s ARG 137 N -4.30 2.28 0.23 0.37 3.52 -1.26 -0.73 118.95 119.05 2eef s ARG 137 Ca 0.52 0.61 0.02 0.00 -0.13 0.00 0.00 55.73 56.75 2eef s ARG 137 Cb -0.10 -1.94 0.23 0.00 -1.56 0.00 0.00 34.95 31.58 2eef s ARG 137 CO 0.33 -1.48 1.56 0.00 -0.81 0.00 0.00 175.30 174.90 2eef h ALA 138 N -0.98 0.84 -0.22 6.12 0.00 -1.47 -3.00 119.26 120.54 2eef h ALA 138 Ca -0.46 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 53.95 2eef h ALA 138 Cb 1.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2eef h ALA 138 CO 0.60 0.69 0.15 1.05 0.00 0.00 0.00 179.25 181.74 2eef h GLU 139 N 0.27 0.21 -5.26 0.00 4.11 -1.94 -3.40 114.58 108.58 2eef h GLU 139 Ca 0.00 -0.01 -0.62 0.00 0.07 0.00 0.00 59.36 58.80 2eef h GLU 139 Cb 1.05 -0.05 -0.18 0.00 0.50 0.00 0.00 28.75 30.08 2eef h GLU 139 CO 0.09 0.14 -0.59 -0.51 0.07 0.00 0.00 179.01 178.21 2eef s LEU 140 N -9.22 3.64 -0.29 3.06 1.43 -1.13 -5.07 118.68 111.10 2eef s LEU 140 Ca -0.06 0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 52.87 2eef s LEU 140 Cb 0.18 -1.92 0.17 0.00 0.03 0.00 0.00 46.19 44.65 2eef s LEU 140 CO 0.70 0.16 1.11 -0.75 0.23 0.00 0.00 176.35 177.80 2eef s LYS 141 N 0.47 0.24 0.25 1.70 2.47 -1.26 -4.53 119.74 119.08 2eef s LYS 141 Ca 0.01 0.40 0.05 0.00 -1.56 0.00 0.00 55.97 54.88 2eef s LYS 141 Cb -0.13 0.05 -0.03 0.00 -1.46 0.00 0.00 37.83 36.27 2eef s LYS 141 CO 0.01 -0.05 0.36 0.45 0.16 0.00 0.00 175.35 176.28 2eef s SER 142 N 1.12 6.24 0.34 1.43 0.15 -1.26 -5.08 113.70 116.64 2eef s SER 142 Ca -0.07 0.03 -0.27 0.00 0.70 0.00 0.00 55.95 56.33 2eef s SER 142 Cb -0.03 -1.78 -0.09 0.00 -1.71 0.00 0.00 66.02 62.40 2eef s SER 142 CO -0.13 -0.10 1.15 0.28 1.20 0.00 0.00 173.24 175.65 2eef s THR 143 N -2.01 3.29 0.33 6.45 -1.32 -1.26 -5.05 115.64 116.07 2eef s THR 143 Ca 0.35 1.19 0.09 0.00 -1.21 0.00 0.00 61.69 62.11 2eef s THR 143 Cb -0.09 -3.71 -0.05 0.00 -1.51 0.00 0.00 72.50 67.14 2eef s THR 143 CO 0.29 0.20 -0.00 -1.10 -2.21 0.00 0.00 174.62 171.80 2eef s GLN 144 N -1.91 2.08 0.00 7.08 -0.21 -1.26 -5.07 119.66 120.37 2eef s GLN 144 Ca 0.51 -1.71 0.00 0.00 0.02 0.00 0.00 55.36 54.18 2eef s GLN 144 Cb -0.31 -1.95 0.00 0.00 1.00 0.00 0.00 33.01 31.75 2eef s GLN 144 CO 0.40 0.17 0.00 0.41 -2.12 0.00 0.00 175.29 174.15 2eef n GLY 145 N -0.93 2.08 3.25 3.09 0.00 -1.26 -5.15 105.19 106.27 2eef n GLY 145 Ca -0.04 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.94 0.60 0.23 1.61 0.23 -1.26 -5.15 119.30 111.62 2eef s MET 146 Ca 0.00 0.03 -0.30 0.00 -1.03 0.00 0.00 55.69 54.40 2eef s MET 146 Cb 0.00 0.27 -0.09 0.00 -1.53 0.00 0.00 34.83 33.49 2eef s MET 146 CO 0.00 -0.15 1.02 -0.08 -2.03 0.00 0.00 175.02 173.79 2eef s THR 147 N -0.85 3.86 -0.01 3.16 -1.32 -1.26 -5.05 115.64 114.16 2eef s THR 147 Ca -0.09 1.80 0.00 0.00 -1.21 0.00 0.00 61.69 62.19 2eef s THR 147 Cb -0.04 -4.15 0.01 0.00 -1.51 0.00 0.00 72.50 66.82 2eef s THR 147 CO 0.03 0.40 0.00 -1.59 -2.21 0.00 0.00 174.62 171.25 2eef s LYS 148 N -1.05 0.10 -0.02 7.08 0.00 -1.26 -5.06 119.74 119.53 2eef s LYS 148 Ca 0.44 0.06 -0.26 0.00 0.00 0.00 0.00 55.97 56.21 2eef s LYS 148 Cb -0.28 -0.23 -0.20 0.00 0.00 0.00 0.00 37.83 37.12 2eef s LYS 148 CO 0.36 -0.07 1.25 -1.00 0.00 0.00 0.00 175.35 175.88 2eef h PRO 149 N 6.74 -0.03 -2.84 1.78 0.13 -2.10 -3.48 132.00 132.20 2eef h PRO 149 Ca -0.36 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.87 2eef h PRO 149 Cb 1.16 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 2eef h PRO 149 CO 0.49 0.45 0.30 -3.38 -0.23 0.00 0.00 178.00 175.63 2eef s HIS 150 N -4.24 -0.14 -0.01 1.56 -3.43 -1.26 -5.10 115.29 102.67 2eef s HIS 150 Ca -0.16 -0.30 -0.02 0.00 -0.80 0.00 0.00 55.06 53.78 2eef s HIS 150 Cb 0.02 0.71 -0.01 0.00 -1.43 0.00 0.00 32.58 31.86 2eef s HIS 150 CO 0.66 -1.17 0.31 0.77 -2.00 0.00 0.00 174.74 173.31 2eef h SER 151 N 2.00 -0.06 0.00 7.38 0.02 -2.04 -3.50 113.55 117.35 2eef h SER 151 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2eef h SER 151 Cb 1.24 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2eef h SER 151 CO 0.25 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.58 2eef n GLY 152 N 1.10 1.05 0.00 -3.77 0.00 -1.26 -4.85 105.19 97.46 2eef n GLY 152 Ca -0.01 -0.33 0.05 0.00 0.00 0.00 0.00 46.02 45.74 2eef n GLY 152 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eef n PRO 153 N 0.00 0.48 -0.26 1.61 -0.04 -1.26 -4.10 135.00 131.43 2eef n PRO 153 Ca 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 2eef n PRO 153 Cb 0.00 -1.35 0.05 0.00 -0.04 0.00 0.00 33.50 32.16 2eef n PRO 153 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2eef n ASP 154 N -0.85 -0.38 -4.92 3.54 5.75 -1.26 -4.32 116.55 114.11 2eef n ASP 154 Ca 0.08 1.20 -0.26 0.00 -0.01 0.00 0.00 54.79 55.80 2eef n ASP 154 Cb 0.04 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 2eef n ASP 154 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 2eef s LEU 155 N -10.10 3.68 0.00 -2.12 -0.00 -1.26 -5.20 118.68 103.68 2eef s LEU 155 Ca -0.10 0.70 0.00 0.00 -0.00 0.00 0.00 54.13 54.73 2eef s LEU 155 Cb 0.15 -3.61 0.00 0.00 -0.00 0.00 0.00 46.19 42.74 2eef s LEU 155 CO 0.51 -0.58 0.00 0.61 -0.00 0.00 0.00 176.35 176.89